PyMca5-5.2.2/0000755000276300001750000000000013205526235012726 5ustar solebliss00000000000000PyMca5-5.2.2/README0000644000276300001750000000346613136054446013622 0ustar solebliss00000000000000This is the MIT version of the PyMca XRF Toolkit. Please read the LICENSE file for details. INSTALLATION Ready-to-use packages are available for the most common platforms. PyMca frozen binaries for MacOS and windows can be obtained from sourceforge: https://sourceforge.net/projects/pymca/files/pymca/ Unofficial debian packages are also available, but you should check if official pacakges are available for your distribution. Please keep going if you want to use PyMca with your existing Python installation. The simplest solution is to use pip: pip install PyMca5 You can add the usual --user qualifier to install only for you: pip install PyMca5 --user If you want to build from source distribution or from a github checkout, you may want to have cython installed on your system. Examples of installation from the sources. 1 - In your default python installation: python setup.py install or (better) pip install . 2 - In your user account: python setup.py install --user or pip install You will need: - Python (one of 2.7, 3.5 or higher recommended) - Numpy - fisx If you want to use the graphical interfaces provided, you will need a running python installation with one of: - PyQt4 + matplotlib (PyMca license will be GPL unless you have a commercial PyQt4 license) - PyQt5 + matplotlib (PyMca license will be GPL unless you have a commercial PyQt5 license) - PySide + matplotlib (PyMca license will be MIT because PySide is LGPL) If you want to embed PyMca in your own graphical applications, I recommend you to use the McaAdvancedFit.py module. It is very easy to embed. DEVELOPMENT PLANS - Use the fisx library for all Physics calculations and not just for corrections. - Compound fitting. If you have any questions or comments (or contributions!), please feel free to contact me. Enjoy, V. Armando Sole PyMca5-5.2.2/version.py0000644000276300001750000001163213203352103014755 0ustar solebliss00000000000000#!/usr/bin/env python # coding: utf-8 # /*########################################################################## # # Copyright (c) 2015-2017 European Synchrotron Radiation Facility # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # # ###########################################################################*/ """Unique place where the version number is defined. provides: * version = "1.2.3" or "1.2.3-beta4" * version_info = named tuple (1,2,3,"beta",4) * hexversion: 0x010203B4 * strictversion = "1.2.3b4 * debianversion = "1.2.3~beta4" * calc_hexversion: the function to transform a version_tuple into an integer This is called hexversion since it only really looks meaningful when viewed as the result of passing it to the built-in hex() function. The version_info value may be used for a more human-friendly encoding of the same information. The hexversion is a 32-bit number with the following layout: Bits (big endian order) Meaning 1-8 PY_MAJOR_VERSION (the 2 in 2.1.0a3) 9-16 PY_MINOR_VERSION (the 1 in 2.1.0a3) 17-24 PY_MICRO_VERSION (the 0 in 2.1.0a3) 25-28 PY_RELEASE_LEVEL (0xA for alpha, 0xB for beta, 0xC for release candidate and 0xF for final) 29-32 PY_RELEASE_SERIAL (the 3 in 2.1.0a3, zero for final releases) Thus 2.1.0a3 is hexversion 0x020100a3. """ from __future__ import absolute_import, print_function, division import os __authors__ = ["Jérôme Kieffer"] __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" __date__ = "16/11/2017" __status__ = "production" __docformat__ = 'restructuredtext' __all__ = ["date", "version_info", "strictversion", "hexversion", "debianversion", "calc_hexversion"] RELEASE_LEVEL_VALUE = {"dev": 0, "alpha": 10, "beta": 11, "gamma": 12, "rc": 13, "final": 15} def get_major_minor_micro(): __version__ = None ffile = open(os.path.join('PyMca5', '__init__.py'), 'r').readlines() for line in ffile: if line.startswith('__version__'): #remove spaces and split __version__ = "%s" % line.replace(' ','').split("=")[-1][:-1] #remove " or ' present __version__ = __version__[1:-1] break if __version__ == None: raise ValueError("Cannot figure out version") return [int(x) for x in __version__.split(".")] MAJOR, MINOR, MICRO = get_major_minor_micro() RELEV = "final" # <16 SERIAL = 0 # <16 date = __date__ from collections import namedtuple _version_info = namedtuple("version_info", ["major", "minor", "micro", "releaselevel", "serial"]) version_info = _version_info(MAJOR, MINOR, MICRO, RELEV, SERIAL) strictversion = version = debianversion = "%d.%d.%d" % version_info[:3] if version_info.releaselevel != "final": version += "-%s%s" % version_info[-2:] debianversion += "~adev%i" % version_info[-1] if RELEV == "dev" else "~%s%i" % version_info[-2:] prerel = "a" if RELEASE_LEVEL_VALUE.get(version_info[3], 0) < 10 else "b" if prerel not in "ab": prerel = "a" strictversion += prerel + str(version_info[-1]) def calc_hexversion(major=0, minor=0, micro=0, releaselevel="dev", serial=0): """Calculate the hexadecimal version number from the tuple version_info: :param major: integer :param minor: integer :param micro: integer :param relev: integer or string :param serial: integer :return: integer always increasing with revision numbers """ try: releaselevel = int(releaselevel) except ValueError: releaselevel = RELEASE_LEVEL_VALUE.get(releaselevel, 0) hex_version = int(serial) hex_version |= releaselevel * 1 << 4 hex_version |= int(micro) * 1 << 8 hex_version |= int(minor) * 1 << 16 hex_version |= int(major) * 1 << 24 return hex_version hexversion = calc_hexversion(*version_info) if __name__ == "__main__": print(version) PyMca5-5.2.2/LICENSE.MIT0000644000276300001750000000233113136054446014365 0ustar solebliss00000000000000 The PyMca X-Ray Fluorescence Toolkit is Copyright (C) 2004-2014 of the European Synchrotron Radiation Facility (ESRF). The MIT License (MIT) Copyright (c) 2004-2014 European Synchrotron Radiation Facility (ESRF) Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions: The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software. THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE. PyMca5-5.2.2/setup.py0000644000276300001750000013525313203352103014436 0ustar solebliss00000000000000# # This Python module has been developed by V.A. Sole, from the European # Synchrotron Radiation Facility (ESRF) to build PyMca. # Given the nature of this work, these module can be considered public domain. # Therefore redistribution and use in source and binary forms, with or without # modification, are permitted provided the following disclaimer is accepted: # # # THIS SOFTWARE IS PROVIDED BY THE AUTHOR(S) AND THE ESRF ``AS IS'' AND ANY # EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED # WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE # DISCLAIMED. IN NO EVENT SHALL THE AUTHOR(S) AND/OR THE ESRF BE LIABLE FOR ANY # DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES # (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; # LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND # ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT # (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS # SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. # import sys,os import glob import platform import time USING_SETUPTOOLS = True PYMCA_DISTUTILS=os.getenv("PYMCA_DISTUTILS") if PYMCA_DISTUTILS in [1, "1", "True"]: PYMCA_DISTUTILS = True if 'bdist_wheel' in sys.argv: if PYMCA_DISTUTILS: raise ValueError("Wheels have to be generated with setuptools") # wheels require setuptools from setuptools import setup from setuptools.command.install import install as dftinstall from setuptools import Command from setuptools.extension import Extension from setuptools.command.build_py import build_py as _build_py from distutils.command.install_data import install_data from setuptools.command.install_scripts import install_scripts from setuptools.command.sdist import sdist elif ('--distutils' in sys.argv) or PYMCA_DISTUTILS: # The cx_setup.py machinery works with distutils try: sys.argv.remove("--distutils") except: pass from distutils.core import setup from distutils.command.install import install as dftinstall from distutils.core import Command from distutils.core import Extension from distutils.command.build_py import build_py as _build_py from distutils.command.install_data import install_data from distutils.command.install_scripts import install_scripts from distutils.command.sdist import sdist USING_SETUPTOOLS = False else: try: from setuptools import setup from setuptools.command.install import install as dftinstall from setuptools import Command from setuptools.extension import Extension from setuptools.command.build_py import build_py as _build_py from distutils.command.install_data import install_data from setuptools.command.install_scripts import install_scripts from setuptools.command.sdist import sdist except ImportError: from distutils.core import setup from distutils.command.install import install as dftinstall from distutils.core import Command from distutils.core import Extension from distutils.command.build_py import build_py as _build_py from distutils.command.install_data import install_data from distutils.command.install_scripts import install_scripts from distutils.command.sdist import sdist USING_SETUPTOOLS = False try: import numpy except ImportError: text = "You must have numpy installed.\n" text += "See http://sourceforge.net/project/showfiles.php?group_id=1369&package_id=175103\n" raise ImportError(text) import distutils.sysconfig try: from Cython.Distutils import build_ext import Cython.Compiler.Version if Cython.Compiler.Version.version < '0.18': build_ext = None except: build_ext = None global PYMCA_INSTALL_DIR global PYMCA_SCRIPTS_DIR global USE_SMART_INSTALL_SCRIPTS PROJECT = "PyMca5" def get_version(): """Returns current version number from version.py file""" import version return version.strictversion __version__ = get_version() #package maintainers customization # Dear (Debian, RedHat, ...) package makers, please feel free to customize the # following paths to the directory containing module's data relative to the # directory containing the python modules (aka. installation directory). # The sift module implements a patented algorithm. The algorithm can be used # for non-commercial research purposes. If you do not want to distribute it # with the PyMca sources you just need to delete the PyMca5/PyMcaMath/sift directory. PYMCA_DATA_DIR = os.getenv("PYMCA_DATA_DIR") PYMCA_DOC_DIR = os.getenv("PYMCA_DOC_DIR") if PYMCA_DATA_DIR is None: PYMCA_DATA_DIR = os.path.join('PyMca5','PyMcaData') if PYMCA_DOC_DIR is None: PYMCA_DOC_DIR = os.path.join('PyMca5','PyMcaData') USE_SMART_INSTALL_SCRIPTS = False if "--install-scripts" in sys.argv: USE_SMART_INSTALL_SCRIPTS = True SPECFILE_USE_GNU_SOURCE = os.getenv("SPECFILE_USE_GNU_SOURCE") if SPECFILE_USE_GNU_SOURCE is None: SPECFILE_USE_GNU_SOURCE = 0 if sys.platform.lower().startswith("linux"): print("WARNING:") print("A cleaner locale independent implementation") print("may be achieved setting SPECFILE_USE_GNU_SOURCE to 1") print("For instance running this script as:") print("SPECFILE_USE_GNU_SOURCE=1 python setup.py build") else: SPECFILE_USE_GNU_SOURCE = int(SPECFILE_USE_GNU_SOURCE) # check if cython is not to be used despite being present def use_cython(): """ Check if cython is disabled from the command line or the environment. """ if "WITH_CYTHON" in os.environ: if os.environ["WITH_CYTHON"] in ["False", "0", 0]: print("No Cython requested by environment") return False if ("--no-cython" in sys.argv): sys.argv.remove("--no-cython") os.environ["WITH_CYTHON"] = "False" print("No Cython requested by command line") return False return True if build_ext is not None: # we can use cython, but it may have been explicitely disabled if not use_cython(): build_ext = None # check if fisx library is to be build def use_fisx(): """ Check if fisx is requested from the command line or the environment. """ if "WITH_FISX" in os.environ: if os.environ["WITH_FISX"] in ["True", "1", 1]: print("Use of fisx library requested by environment") return True if ("--fisx" in sys.argv): sys.argv.remove("--fisx") os.environ["WITH_FISX"] = "True" print("Use fisx library requested by command line") return True return False if use_fisx(): # fisx is expected to be an independent library and # ideally one would use git subtree to put it in third-party # but one needs git > 1.9.x fisx_src = os.path.join(os.path.dirname(os.path.abspath(__file__)), "third-party", "fisx") if not os.path.exists(fisx_src): print("fisx library not found but installation requested") raise IOError("Installation of fisx requested but library not found") else: fisx_src = None # Make sure we work with a clean MANIFEST file # DEBIAN_SRC = False # if "sdist" in sys.argv: # manifestFile = os.path.join(os.path.dirname(os.path.abspath(__file__)), # "MANIFEST") # if os.path.exists(manifestFile): # os.remove(manifestFile) # # if "DEBIAN_SRC" in os.environ: # if os.environ["DEBIAN_SRC"] in ["True", "1", 1]: # print("Generating Debian specific source distribution without cython generated files") # print("If you cython version is incompatible, it will be your problem") # DEBIAN_SRC = True print("PyMca X-Ray Fluorescence Toolkit %s\n" % __version__) # The following is not supported by python-2.3: package_data = {} #'PyMca5': ['PyMcaData/attdata/*', # 'PyMcaData/HTML/*.*', # 'PyMcaData/HTML/IMAGES/*', # 'PyMcaData/HTML/PyMCA_files/*']} packages = ['PyMca5', 'PyMca5.PyMcaPlugins', 'PyMca5.tests', 'PyMca5.PyMca', 'PyMca5.PyMcaCore', 'PyMca5.PyMcaPhysics', 'PyMca5.PyMcaPhysics.xrf', 'PyMca5.PyMcaPhysics.xrf.XRFMC', 'PyMca5.PyMcaPhysics.xas', 'PyMca5.PyMcaIO', 'PyMca5.PyMcaMisc', 'PyMca5.PyMcaMath', 'PyMca5.PyMcaMath.fitting', 'PyMca5.PyMcaMath.mva', 'PyMca5.PyMcaMath.mva.py_nnma', 'PyMca5.PyMcaGraph', 'PyMca5.PyMcaGraph.backends', 'PyMca5.PyMcaGui', 'PyMca5.PyMcaGui.plotting', 'PyMca5.PyMcaGui.physics', 'PyMca5.PyMcaGui.physics.xas', 'PyMca5.PyMcaGui.physics.xrf', 'PyMca5.PyMcaGui.pymca', 'PyMca5.PyMcaGui.misc', 'PyMca5.PyMcaGui.io', 'PyMca5.PyMcaGui.io.hdf5', 'PyMca5.PyMcaGui.math', 'PyMca5.PyMcaGui.math.fitting',] py_modules = [] # Specify all the required PyMca data data_files = [(PYMCA_DATA_DIR, ['LICENSE', 'LICENSE.GPL', 'LICENSE.LGPL', 'LICENSE.MIT', 'PyMca5/PyMcaData/Scofield1973.dict', 'changelog.txt', 'PyMca5/PyMcaData/McaTheory.cfg', 'PyMca5/PyMcaData/PyMcaSplashImage.png', 'PyMca5/PyMcaData/KShellRatesScofieldHS.dat', 'PyMca5/PyMcaData/LShellRatesCampbell.dat', 'PyMca5/PyMcaData/LShellRatesScofieldHS.dat', 'PyMca5/PyMcaData/EXAFS_Cu.dat', 'PyMca5/PyMcaData/EXAFS_Ge.dat', 'PyMca5/PyMcaData/XRFSpectrum.mca']), (PYMCA_DATA_DIR + '/attdata', glob.glob('PyMca5/PyMcaData/attdata/*')), (PYMCA_DOC_DIR+'/HTML', glob.glob('PyMca5/PyMcaData/HTML/*.*')), (PYMCA_DOC_DIR+'/HTML/IMAGES', glob.glob('PyMca5/PyMcaData/HTML/IMAGES/*')), (PYMCA_DOC_DIR+'/HTML/PyMCA_files', glob.glob('PyMca5/HTML/PyMCA_files/*'))] if os.path.exists(os.path.join("PyMca5", "EPDL97")): packages.append('PyMca5.EPDL97') data_files.append((PYMCA_DATA_DIR+'/EPDL97', glob.glob('PyMca5/EPDL97/*.DAT'))) data_files.append((PYMCA_DATA_DIR+'/EPDL97', ['PyMca5/EPDL97/LICENSE'])) global SIFT_OPENCL_FILES SIFT_OPENCL_FILES = [] if os.path.exists(os.path.join("PyMca5", "PyMcaMath", "sift")): packages.append('PyMca5.PyMcaMath.sift') package_data['PyMca5'] = ['PyMcaMath/sift/*.cl'] # SIFT_OPENCL_FILES = glob.glob('PyMca5/PyMcaMath/sift/*.cl') # data_files.append((os.path.join('PyMca5', 'PyMcaMath', 'sift'), # SIFT_OPENCL_FILES)) LOCAL_OBJECT3D =False if os.path.exists(os.path.join("PyMca5", "Object3D")): LOCAL_OBJECT3D = True if os.path.exists(os.path.join("PyMca5", "PyMcaGraph", "backends", "GLSupport")): packages.append('PyMca5.PyMcaGraph.backends.GLSupport') if os.path.exists(os.path.join("PyMca5", "PyMcaGraph", "backends", "GLSupport", "gl")): packages.append('PyMca5.PyMcaGraph.backends.GLSupport.gl') sources = glob.glob('*.c') if sys.platform == "win32": define_macros = [('WIN32',None)] script_files = glob.glob('PyMca5/scripts/*') script_files += glob.glob('scripts/*.bat') script_files.append('scripts/pymca_win_post_install.py') else: define_macros = [] script_files = glob.glob('PyMca5/scripts/*') def build_FastEdf(ext_modules): module = Extension(name = 'PyMca5.FastEdf', sources = glob.glob('PyMca5/PyMcaIO/edf/*.c'), define_macros = define_macros, include_dirs = [numpy.get_include()]) ext_modules.append(module) def build_specfile(ext_modules): if os.name.lower().startswith('posix'): specfile_define_macros = [('PYMCA_POSIX', None)] #the best choice is to use _GNU_SOURCE if possible #because that enables the use of strtod_l if SPECFILE_USE_GNU_SOURCE: specfile_define_macros = [('_GNU_SOURCE', 1)] else: specfile_define_macros = define_macros srcfiles = [ 'sfheader','sfinit','sflists','sfdata','sfindex', 'sflabel' ,'sfmca', 'sftools','locale_management','specfile_py'] if sys.version >= '3.0': srcfiles[-1] += '3' sources = [] specfile_source_dir = os.path.join('PyMca5', 'PyMcaIO', 'specfile', 'src') specfile_include_dir = os.path.join('PyMca5', 'PyMcaIO', 'specfile', 'include') for ffile in srcfiles: sources.append(os.path.join(specfile_source_dir, ffile+'.c')) module = Extension(name = 'PyMca5.PyMcaIO.specfile', sources = sources, define_macros = specfile_define_macros, include_dirs = [specfile_include_dir, numpy.get_include()]) ext_modules.append(module) def build_specfit(ext_modules): module = Extension(name = 'PyMca5.PyMcaMath.fitting.SpecfitFuns', sources = glob.glob('PyMca5/PyMcaMath/fitting/specfit/*.c'), define_macros = define_macros, include_dirs = ['PyMca5/PyMcaMath/fitting/specfit', numpy.get_include()]) ext_modules.append(module) def build_sps(ext_modules): if platform.system() == 'Linux' : extra_compile_args = ['-pthread'] #extra_compile_args = [] elif platform.system() == 'SunOS' : #extra_compile_args = ['-pthreads'] extra_compile_args = [] else: extra_compile_args = [] module = Extension(name = 'PyMca5.spslut', sources = ['PyMca5/PyMcaIO/sps/Src/sps_lut.c', 'PyMca5/PyMcaIO/sps/Src/spslut_py.c'], define_macros = define_macros, extra_compile_args = extra_compile_args, include_dirs = ['PyMca5/PyMcaIO/sps/Include', numpy.get_include()]) ext_modules.append(module) if sys.platform != "win32": module = (Extension(name = 'PyMca5.PyMcaIO.sps', sources = ['PyMca5/PyMcaIO/sps/Src/sps.c', 'PyMca5/PyMcaIO/sps/Src/sps_py.c'], define_macros = define_macros, extra_compile_args = extra_compile_args, include_dirs = ['PyMca5/PyMcaIO/sps/Include', numpy.get_include()])) ext_modules.append(module) def build_PyMcaIOHelper(ext_modules): module = Extension(name = 'PyMca5.PyMcaIO.PyMcaIOHelper', sources = glob.glob('PyMca5/PyMcaIO/PyMcaIOHelper/*.c'), define_macros = define_macros, include_dirs = ['PyMca5/PyMcaIO/PyMcaIOHelper', numpy.get_include()]) ext_modules.append(module) def build_Object3DCTools(ext_modules): includes = [numpy.get_include()] if sys.platform == "win32": libraries = ['opengl32', 'glu32'] # include headers missing in microsoft implementation of OpenGL includes.append('third-party/khronos_headers') elif sys.platform == "darwin": libraries = [] else: libraries = ['GL', 'GLU'] if sys.platform == 'windows': WindowsSDK = os.getenv('WindowsSdkDir') #if WindowsSDK is not None: # includes.append(WindowsSDK) module = Extension(name = 'PyMca5.Object3D.Object3DCTools', sources = glob.glob('PyMca5/Object3D/Object3DCTools/*.c'), define_macros = define_macros, libraries = libraries, include_dirs = includes) ext_modules.append(module) def build_Object3DQhull(extensions): libraries = [] sources = ["PyMca5/Object3D/Object3DQhull/Object3DQhull.c"] include_dirs = [numpy.get_include()] # check if the user provide some information about a system qhull # library QHULL_CFLAGS = os.getenv("QHULL_CFLAGS") QHULL_LIBS = os.getenv("QHULL_LIBS") extra_compile_args = [] extra_link_args = [] if QHULL_CFLAGS and QHULL_LIBS: extra_compile_args += [QHULL_CFLAGS] extra_link_args += [QHULL_LIBS] else: sources += glob.glob("third-party/qhull/src/*.c") include_dirs += ["third-party/qhull/src"] module = Extension(name='PyMca5.Object3D.Object3DQhull', sources=sources, define_macros=define_macros, libraries=libraries, include_dirs=include_dirs, extra_compile_args=extra_compile_args, extra_link_args=extra_link_args) extensions.append(module) def build_PyMcaSciPy(ext_modules): packages.append('PyMca5.PyMcaMath.PyMcaSciPy') packages.append('PyMca5.PyMcaMath.PyMcaSciPy.signal') module = Extension(name = 'PyMca5.PyMcaMath.PyMcaSciPy.signal.mediantools', sources = glob.glob('PyMca5/PyMcaMath/PyMcaSciPy/signal/*.c'), define_macros = [], include_dirs = [numpy.get_include()]) ext_modules.append(module) def build_plotting_ctools(ext_modules): packages.append('PyMca5.PyMcaGraph.ctools') basedir = os.path.join('PyMca5', 'PyMcaGraph','ctools', '_ctools') c_files = [os.path.join(basedir, 'src', 'InsidePolygonWithBounds.c'), os.path.join(basedir, 'src', 'MinMaxImpl.c'), os.path.join(basedir, 'src', 'Colormap.c')] if build_ext: src = [os.path.join(basedir, 'cython','_ctools.pyx')] else: src = [] for fname in glob.glob(os.path.join(basedir, 'cython','*.c')): src.append(os.path.join(basedir, 'cython', os.path.basename(fname))) src += c_files if sys.platform == 'win32': extra_compile_args = [] extra_link_args = [] else: extra_compile_args = [] extra_link_args = [] module = Extension(name="PyMca5.PyMcaGraph.ctools._ctools", sources=src, include_dirs=[numpy.get_include(), os.path.join(basedir, "include")], extra_compile_args=extra_compile_args, extra_link_args=extra_link_args, language="c", ) """ setup( name='ctools', ext_modules=[Extension(name="_ctools", sources=src, include_dirs=[numpy.get_include(), os.path.join(os.getcwd(),"include")], extra_compile_args=extra_compile_args, extra_link_args=extra_link_args, language="c", )] , cmdclass={'build_ext': build_ext}, ) """ ext_modules.append(module) def build_xas_xas(ext_modules): basedir = os.path.join('PyMca5', 'PyMcaPhysics','xas', '_xas') c_files = [os.path.join(basedir, 'src', 'polspl.c'), os.path.join(basedir, 'src', 'bessel0.c')] if build_ext: src = [os.path.join(basedir, 'cython','_xas.pyx')] else: src = [] for fname in glob.glob(os.path.join(basedir, 'cython','*.c')): src.append(os.path.join(basedir, 'cython', os.path.basename(fname))) src += c_files if sys.platform == 'win32': extra_compile_args = [] extra_link_args = [] else: extra_compile_args = [] extra_link_args = [] module = Extension(name="PyMca5.PyMcaPhysics.xas._xas", sources=src, include_dirs=[numpy.get_include(), os.path.join(basedir, "include")], extra_compile_args=extra_compile_args, extra_link_args=extra_link_args, language="c", ) ext_modules.append(module) ext_modules = [] if sys.version < '3.0': build_FastEdf(ext_modules) build_specfile(ext_modules) build_specfit(ext_modules) build_sps(ext_modules) build_PyMcaIOHelper(ext_modules) if LOCAL_OBJECT3D: try: build_Object3DCTools(ext_modules) build_Object3DQhull(ext_modules) for python_file in glob.glob('PyMca5/Object3D/*.py'): if python_file in ['setup.py', 'cx_setup.py']: continue m = "PyMca5.Object3D.%s" % os.path.basename(python_file)[:-3] py_modules.append(m) for python_file in glob.glob('PyMca5/Object3D/Object3DPlugins/*.py'): m = "PyMca5.Object3D.Object3DPlugins.%s" %\ os.path.basename(python_file)[:-3] py_modules.append(m) except: print("Object3D Module could not be built") print(sys.exc_info()) build_PyMcaSciPy(ext_modules) build_plotting_ctools(ext_modules) build_xas_xas(ext_modules) class smart_build_py(_build_py): def run (self): toReturn = _build_py.run(self) global PYMCA_DATA_DIR global PYMCA_DOC_DIR global PYMCA_INSTALL_DIR defaultPath = os.path.join('PyMca5','PyMcaData') if (PYMCA_DATA_DIR == defaultPath) or\ (PYMCA_DOC_DIR == defaultPath): #default, just make sure the complete path is there install_cmd = self.get_finalized_command('install') PYMCA_INSTALL_DIR = getattr(install_cmd, 'install_lib') #packager should have given the complete path #in other cases if PYMCA_DATA_DIR == defaultPath: PYMCA_DATA_DIR = os.path.join(PYMCA_INSTALL_DIR, PYMCA_DATA_DIR) if PYMCA_DOC_DIR == defaultPath: #default, just make sure the complete path is there PYMCA_DOC_DIR = os.path.join(PYMCA_INSTALL_DIR, PYMCA_DOC_DIR) target = os.path.join(self.build_lib, "PyMca5", "PyMcaDataDir.py") fid = open(target,'r') content = fid.readlines() fid.close() fid = open(target,'w') for line in content: lineToBeWritten = line txt = 'DATA_DIR_FROM_SETUP' if txt in line: lineToBeWritten = line.replace(txt, PYMCA_DATA_DIR) txt = 'DOC_DIR_FROM_SETUP' if txt in line: lineToBeWritten = line.replace(txt, PYMCA_DOC_DIR) fid.write(lineToBeWritten) fid.close() return toReturn # data_files fix from http://wiki.python.org/moin/DistutilsInstallDataScattered # class smart_install_data(install_data): # if USING_SETUPTOOLS: # def initialize_options (self): # self.outfiles = [] # self.data_files = data_files # self.install_dir = None # self.root = None # self.force = 0 # # def finalize_options(self): # pass # # def get_outputs(self): # return self.outfiles # # def run(self): # global PYMCA_INSTALL_DIR # global PYMCA_DATA_DIR # global PYMCA_DOC_DIR # #need to change self.install_dir to the library dir # install_cmd = self.get_finalized_command('install') # self.install_dir = getattr(install_cmd, 'install_lib') # PYMCA_INSTALL_DIR = self.install_dir # print("PyMca to be installed in %s" % self.install_dir) # # #cleanup old stuff if present # pymcaOld = os.path.join(PYMCA_INSTALL_DIR, "PyMca5", "Plugins1D") # if os.path.exists(pymcaOld): # for f in glob.glob(os.path.join(pymcaOld,"*.py")): # print("Removing previously installed file %s" % f) # os.remove(f) # for f in glob.glob(os.path.join(pymcaOld,"*.pyc")): # print("Removing previously installed file %s" % f) # os.remove(f) # print("Removing previously installed directory %s" % pymcaOld) # os.rmdir(pymcaOld) # pymcaOld = os.path.join(PYMCA_INSTALL_DIR, "PyMca5", "PyMca.py") # if os.path.exists(pymcaOld): # print("Removing previously installed file %s" % pymcaOld) # os.remove(pymcaOld) # pymcaOld += "c" # if os.path.exists(pymcaOld): # print("Removing previously installed file %s" % pymcaOld) # os.remove(pymcaOld) # return install_data.run(self) # smart_install_scripts if USE_SMART_INSTALL_SCRIPTS: class smart_install_scripts(install_scripts): if USING_SETUPTOOLS: def initialize_options (self): self.outfiles = [] def finalize_options(self): pass def get_outputs(self): return self.outfiles def run (self): global PYMCA_SCRIPTS_DIR #I prefer not to translate the python used during the build #process for the case of having an installation on a disk shared #by different machines and starting python from a shell script #that positions the environment from distutils import log from stat import ST_MODE install_cmd = self.get_finalized_command('install') #This is to ignore the --install-scripts keyword #I do not know if to leave it optional ... if False: self.install_dir = os.path.join(getattr(install_cmd, 'install_lib'), 'PyMca5') self.install_dir = os.path.join(self.install_dir, 'bin') else: self.install_dir = getattr(install_cmd, 'install_scripts') self.install_data = getattr(install_cmd, 'install_data') if "." in self.install_dir: self.install_dir = os.path.abspath(self.install_dir) if "." in self.install_data: self.install_data = os.path.abspath(self.install_data) global PYMCA_INSTALL_DIR if "." in PYMCA_INSTALL_DIR: PYMCA_INSTALL_DIR = os.path.abspath(PYMCA_INSTALL_DIR) PYMCA_SCRIPTS_DIR = self.install_dir PYMCA_DATA_DIR = self.install_data if sys.platform != "win32": print("PyMca scripts to be installed in %s" % self.install_dir) self.outfiles = self.copy_tree(self.build_dir, self.install_dir) self.outfiles = [] for filein in glob.glob('PyMca5/scripts/*'): filedest = os.path.join(self.install_dir, os.path.basename(filein)) if os.path.exists(filedest): os.remove(filedest) moddir = os.path.join(PYMCA_INSTALL_DIR, "PyMca5", "PyMcaGui") if 0: f = open(filein, 'r') modfile = f.readline().replace("\n","") f.close() else: basename = os.path.basename(filein) if basename.startswith('pymcabatch'): modfile = os.path.join("pymca", 'PyMcaBatch.py') elif basename.startswith('pymcapostbatch') or\ basename.startswith('rgbcorrelator'): modfile = os.path.join("pymca", 'PyMcaPostBatch.py') elif basename.startswith('pymcaroitool'): modfile = os.path.join("pymca", 'QStackWidget.py') elif basename.startswith('mca2edf'): modfile = os.path.join("pymca", 'Mca2Edf.py') elif basename.startswith('edfviewer'): modfile = os.path.join("pymca", 'EdfFileSimpleViewer.py') elif basename.startswith('peakidentifier'): modfile = os.path.join("physics", "xrf", 'PeakIdentifier.py') elif basename.startswith('elementsinfo'): modfile = os.path.join("physics", "xrf", 'ElementsInfo.py') elif basename.startswith('pymca'): modfile = os.path.join("pymca", 'PyMcaMain.py') else: print("ignored %s" % filein) continue text = "#!/bin/bash\n" text += "export PYTHONPATH=%s:${PYTHONPATH}\n" % PYMCA_INSTALL_DIR #deal with sys.executables not named python text += "exec %s %s $*\n" % ( sys.executable, os.path.join(moddir, modfile) ) f=open(filedest, 'w') f.write(text) f.close() #self.copy_file(filein, filedest) self.outfiles.append(filedest) if os.name == 'posix': # Set the executable bits (owner, group, and world) on # all the scripts we just installed. for ffile in self.get_outputs(): if self.dry_run: log.info("changing mode of %s", ffile) else: # python 2.5 does not accept next line #mode = ((os.stat(ffile)[ST_MODE]) | 0o555) & 0o7777 mode = ((os.stat(ffile)[ST_MODE]) | 365) & 4095 log.info("changing mode of %s to %o", ffile, mode) os.chmod(ffile, mode) # man pages handling def abspath(*path): """A method to determine absolute path for a given relative path to the directory where this setup.py script is located""" setup_dir = os.path.dirname(os.path.abspath(__file__)) return os.path.join(setup_dir, *path) class install_man(Command): user_options = [ ('install-dir=', 'd', 'base directory for installing man page files')] def initialize_options(self): self.install_dir = None if USING_SETUPTOOLS: self.outfiles = [] def finalize_options(self): self.set_undefined_options('install', ('install_man', 'install_dir')) if USING_SETUPTOOLS: def get_outputs(self): return self.outfiles def run(self): if self.install_dir is None: return src_man_dir = abspath('doc', 'man') man_elems = os.listdir(src_man_dir) man_pages = [] for f in man_elems: f = os.path.join(src_man_dir,f) if not os.path.isfile(f): continue if not f.endswith(".1"): continue man_pages.append(f) install_dir = os.path.join(self.install_dir, 'man1') if not os.path.isdir(install_dir): os.makedirs(install_dir) for man_page in man_pages: self.copy_file(man_page, install_dir) class install(dftinstall): user_options = list(dftinstall.user_options) user_options.extend([ ('install-man=', None, 'installation directory for Unix man pages')]) def initialize_options(self): self.install_man = None dftinstall.initialize_options(self) def finalize_options(self): # We do a hack here. We cannot trust the 'install_base' value because it # is not always the final target. For example, in unix, the install_base # is '/usr' and all other install_* are directly relative to it. However, # in unix-local (like ubuntu) install_base is still '/usr' but, for # example, install_data, is '$install_base/local' which breaks everything. # # The hack consists in using install_data instead of install_base since # install_data seems to be, in practice, the proper install_base on all # different systems. global USE_SMART_INSTALL_SCRIPTS dftinstall.finalize_options(self) if os.name != "posix": if self.install_man is not None: self.warn("install-man option ignored on this platform") self.install_man = None else: if self.install_man is None: if not USE_SMART_INSTALL_SCRIPTS: # if one is installing the scripts somewhere else # he can be smart enough to pass install_man self.install_man = os.path.join(self.install_data,\ 'share', 'man') if self.install_man is not None: if not os.path.exists(self.install_man): try: os.makedirs(self.install_man) except: #we'll get the error in the next check pass #check if we can write if not os.access(self.install_man, os.W_OK): print("********************************") print("") print("No permission to write man pages") print("") print("********************************") self.install_man = None self.dump_dirs("Installation directories") def expand_dirs(self): dftinstall.expand_dirs(self) self._expand_attrs(['install_man']) def has_man(self): return os.name == "posix" sub_commands = list(dftinstall.sub_commands) sub_commands.append(('install_man', has_man)) # end of man pages handling cmdclass = {'install_data': install_data, # smart_install_data, 'build_py': smart_build_py} if build_ext is not None: cmdclass['build_ext'] = build_ext if USE_SMART_INSTALL_SCRIPTS: # typical use of user without superuser privileges cmdclass['install_scripts'] = smart_install_scripts if os.name == "posix": cmdclass['install'] = install cmdclass['install_man'] = install_man class sdist_debian(sdist): """ Tailor made sdist for debian * remove auto-generated doc * remove cython generated .c files * remove cython generated .cpp files * remove .bat files * include .l man files """ @staticmethod def get_debian_name(): import version name = "%s_%s" % (PROJECT, version.debianversion) return name def prune_file_list(self): sdist.prune_file_list(self) to_remove = ["doc/build", "doc/pdf", "doc/html", "pylint", "epydoc"] print("Removing files for debian") for rm in to_remove: self.filelist.exclude_pattern(pattern="*", anchor=False, prefix=rm) # this is for Cython files specifically: remove C & html files search_root = os.path.dirname(os.path.abspath(__file__)) for root, _, files in os.walk(search_root): for afile in files: if os.path.splitext(afile)[1].lower() == ".pyx": base_file = os.path.join(root, afile)[len(search_root) + 1:-4] self.filelist.exclude_pattern(pattern=base_file + ".c") self.filelist.exclude_pattern(pattern=base_file + ".cpp") self.filelist.exclude_pattern(pattern=base_file + ".html") def make_distribution(self): self.prune_file_list() sdist.make_distribution(self) dest = self.archive_files[0] dirname, basename = os.path.split(dest) base, ext = os.path.splitext(basename) while ext in [".zip", ".tar", ".bz2", ".gz", ".Z", ".lz", ".orig"]: base, ext = os.path.splitext(base) if ext: dest = "".join((base, ext)) else: dest = base # sp = dest.split("-") # base = sp[:-1] # nr = sp[-1] debian_arch = os.path.join(dirname, self.get_debian_name() + ".orig.tar.gz") os.rename(self.archive_files[0], debian_arch) self.archive_files = [debian_arch] print("Building debian .orig.tar.gz in %s" % self.archive_files[0]) cmdclass['debian_src'] = sdist_debian description = "Mapping and X-Ray Fluorescence Analysis" long_description = """Stand-alone application and Python tools for interactive and/or batch processing analysis of X-Ray Fluorescence Spectra. Graphical user interface (GUI) and batch processing capabilities provided """ ####################### # build_doc commands # ####################### try: import sphinx import sphinx.util.console sphinx.util.console.color_terminal = lambda: False from sphinx.setup_command import BuildDoc except: sphinx = None if sphinx: class build_doc(BuildDoc): def run(self): # make sure the python path is pointing to the newly built # code so that the documentation is built on this and not a # previously installed version build = self.get_finalized_command('build') sys.path.insert(0, os.path.abspath(build.build_lib)) # Build the Users Guide in HTML and TeX format for builder in ('html', 'latex'): self.builder = builder self.builder_target_dir = os.path.join(self.build_dir, builder) self.mkpath(self.builder_target_dir) builder_index = 'index_{0}.txt'.format(builder) BuildDoc.run(self) sys.path.pop(0) cmdclass['build_doc'] = build_doc classifiers = ["Development Status :: 5 - Production/Stable", "Programming Language :: Python :: 2", "Programming Language :: Python :: 3", "Intended Audience :: Developers", "Intended Audience :: End Users/Desktop", "Intended Audience :: Science/Research", "License :: OSI Approved :: MIT License", "Topic :: Software Development :: Libraries :: Python Modules", "Operating System :: Microsoft :: Windows", "Operating System :: Unix", "Operating System :: MacOS :: MacOS X", "Operating System :: POSIX", "Topic :: Scientific/Engineering :: Chemistry", "Topic :: Scientific/Engineering :: Physics", "Topic :: Scientific/Engineering :: Visualization", ] install_requires = ["numpy", "matplotlib", "fisx>=1.1.4"] setup_requires = ["numpy"] if USING_SETUPTOOLS: distrib = setup(name="PyMca5", version= __version__, description = description, author = "V. Armando Sole", author_email="sole@esrf.fr", license= "MIT", url = "http://pymca.sourceforge.net", download_url="https://github.com/vasole/pymca/archive/v%s.tar.gz" % __version__, long_description = long_description, packages = packages, platforms='any', ext_modules = ext_modules, data_files = data_files, package_data = package_data, ## package_dir = {'':'PyMca', 'PyMca.tests':'tests'}, cmdclass = cmdclass, scripts=script_files, py_modules=py_modules, classifiers=classifiers, install_requires=install_requires, setup_requires=setup_requires, ) else: distrib = setup(name="PyMca5", version= __version__, description = description, author = "V. Armando Sole", author_email="sole@esrf.fr", license= "MIT", url = "http://pymca.sourceforge.net", download_url="https://github.com/vasole/pymca/archive/v%s.tar.gz" % __version__, long_description = long_description, packages = packages, platforms='any', ext_modules = ext_modules, data_files = data_files, package_data = package_data, ## package_dir = {'':'PyMca', 'PyMca.tests':'tests'}, cmdclass = cmdclass, scripts=script_files, py_modules=py_modules, classifiers=classifiers, ) try: print("PyMca is installed in %s " % PYMCA_INSTALL_DIR) print("PyMca data files are installed in %s " % PYMCA_DATA_DIR) print("HTML help files are installed in %s " % PYMCA_DOC_DIR) except: #I really do not see how this may happen but ... pass if fisx_src is None or ("sdist" in sys.argv): sys.exit(0) # # What follows is ugly and it is not intended for # use outside the ESRF # # fisx should be installed as a separated Debian/RedHat/... package # fisx_src = os.path.abspath(fisx_src) # reproduce fisx setup.py file here ... # deal with required data #for the time being there is no doc directory FISX_DATA_DIR = os.getenv("FISX_DATA_DIR") FISX_DOC_DIR = os.getenv("FISX_DOC_DIR") if FISX_DATA_DIR is None: FISX_DATA_DIR = os.path.join('fisx', 'fisx_data') if FISX_DOC_DIR is None: FISX_DOC_DIR = os.path.join('fisx', 'fisx_data') def getFisxVersion(): cppDir = os.path.join(fisx_src, "src") content = open(os.path.join(cppDir, "fisx_version.h"), "r").readlines() for line in content: if "FISX_VERSION_STR" in line: version = line.split("FISX_VERSION_STR")[-1].replace("\n","") version = version.replace(" ","") return version[1:-1] __version__ = getFisxVersion() print("Processing fisx library %s\n" % __version__) class smart_build_fisx_py(_build_py): def run (self): toReturn = _build_py.run(self) global FISX_DATA_DIR global FISX_DOC_DIR global INSTALL_DIR defaultDataPath = os.path.join('fisx', 'fisx_data') defaultDocPath = os.path.join('fisx', 'fisx_data') if (FISX_DATA_DIR == defaultDataPath) or\ (FISX_DOC_DIR == defaultDocPath): #default, just make sure the complete path is there install_cmd = self.get_finalized_command('install') INSTALL_DIR = getattr(install_cmd, 'install_lib') #packager should have given the complete path #in other cases if FISX_DATA_DIR == defaultDataPath: FISX_DATA_DIR = os.path.join(INSTALL_DIR, FISX_DATA_DIR) if FISX_DOC_DIR == defaultDocPath: #default, just make sure the complete path is there FISX_DOC_DIR = os.path.join(INSTALL_DIR, FISX_DOC_DIR) target = os.path.join(self.build_lib, "fisx", "DataDir.py") fid = open(target,'r') content = fid.readlines() fid.close() fid = open(target,'w') for line in content: lineToBeWritten = line if lineToBeWritten.startswith("FISX_DATA_DIR"): lineToBeWritten = "FISX_DATA_DIR = r'%s'\n" % FISX_DATA_DIR if line.startswith("FISX_DOC_DIR"): lineToBeWritten = "FISX_DOC_DIR = r'%s'\n" % FISX_DOC_DIR fid.write(lineToBeWritten) fid.close() return toReturn class smart_install_fisx_data(install_data): def run(self): global INSTALL_DIR global FISX_DATA_DIR global FISX_DOC_DIR #need to change self.install_dir to the library dir install_cmd = self.get_finalized_command('install') self.install_dir = getattr(install_cmd, 'install_lib') INSTALL_DIR = self.install_dir print("fisx to be installed in %s" % self.install_dir) return install_data.run(self) topLevel = fisx_src fileList = glob.glob(os.path.join(topLevel, "fisx_data", "*.dat")) fileList.append(os.path.join(topLevel, "changelog.txt")) fileList.append(os.path.join(topLevel, "LICENSE")) fileList.append(os.path.join(topLevel, "README.rst")) fileList.append(os.path.join(topLevel, "TODO")) data_files = [(FISX_DATA_DIR, fileList)] # actual build stuff FORCE = False #cython_dir = os.path.join(os.getcwd(), "python", "cython") cython_dir = os.path.join(fisx_src, "python", "cython") if build_ext: #make sure everything is totally clean? fileList = glob.glob(os.path.join(cython_dir, "*.cpp")) fileList += glob.glob(os.path.join(cython_dir, "*.h")) if FORCE: for fname in fileList: if os.path.exists(fname): os.remove(fname) #this does not work: #src = glob.glob(os.path.join(cython_dir, "*pyx")) multiple_pyx = os.path.join(cython_dir, "_fisx.pyx") if os.path.exists(multiple_pyx): try: os.remove(multiple_pyx) except: print("WARNING: Could not delete file. Assuming up-to-date.") if not os.path.exists(multiple_pyx): pyx = glob.glob(os.path.join(cython_dir, "*pyx")) # until _fisx.pyx gets updated, we have to put # the name PyEPDL after PyElement pyx = sorted(pyx, key=str.lower) f = open(multiple_pyx, 'wb') for fname in pyx: inFile = open(fname, 'rb') lines = inFile.readlines() inFile.close() for line in lines: f.write(line) f.close() src = [multiple_pyx] else: src = glob.glob(os.path.join(cython_dir,'*.cpp')) src += glob.glob(os.path.join(fisx_src, 'src', 'fisx_*.cpp')) include_dirs = [numpy.get_include(), os.path.join(fisx_src, "src")] if sys.platform == 'win32': extra_compile_args = ['/EHsc'] extra_link_args = [] else: extra_compile_args = [] extra_link_args = [] def buildExtension(): module = Extension(name="fisx._fisx", sources=src, include_dirs=include_dirs, extra_compile_args=extra_compile_args, extra_link_args=extra_link_args, language="c++", ) return module ext_modules = [buildExtension()] cmdclass = {'install_data':smart_install_fisx_data, 'build_py':smart_build_fisx_py, 'build_ext': build_ext, } description = "Quantitative X-Ray Fluorescence Analysis Support Library" long_description = """ Tools to evaluate the expected X-ray fluorescence measured when a sample is excitated by an X-ray beam. Secondary and tertiary excitation effects taken into account. """ # tell distutils where to find the packages package_dir = {"":os.path.join(fisx_src, "python")} packages = ['fisx', 'fisx.tests'] setup( name='fisx', version=__version__, author="V. Armando Sole", author_email="sole@esrf.fr", description=description, long_description=long_description, license="MIT", url="https://github.com/vasole/fisx", package_dir=package_dir, packages=packages, ext_modules=ext_modules, data_files=data_files, cmdclass=cmdclass, ) os.chdir(os.path.abspath(os.path.dirname(__file__))) PyMca5-5.2.2/LICENSE.GPL0000644000276300001750000004405213136054446014364 0ustar solebliss00000000000000 The PyMca X-Ray Fluorescence Toolkit is Copyright (C) 2004-2014 of the European Synchrotron Radiation Facility (ESRF). You may use, distribute and copy the PyMca XRF Toolkit under the terms of GNU General Public License version 2, which is displayed below, or (at your option) any later version. ------------------------------------------------------------------------- GNU GENERAL PUBLIC LICENSE Version 2, June 1991 Copyright (C) 1989, 1991 Free Software Foundation, Inc. 51 Franklin Steet, Fifth Floor, Boston, MA 02110-1301, USA Everyone is permitted to copy and distribute verbatim copies of this license document, but changing it is not allowed. Preamble The licenses for most software are designed to take away your freedom to share and change it. By contrast, the GNU General Public License is intended to guarantee your freedom to share and change free software--to make sure the software is free for all its users. This General Public License applies to most of the Free Software Foundation's software and to any other program whose authors commit to using it. (Some other Free Software Foundation software is covered by the GNU Library General Public License instead.) You can apply it to your programs, too. When we speak of free software, we are referring to freedom, not price. Our General Public Licenses are designed to make sure that you have the freedom to distribute copies of free software (and charge for this service if you wish), that you receive source code or can get it if you want it, that you can change the software or use pieces of it in new free programs; and that you know you can do these things. To protect your rights, we need to make restrictions that forbid anyone to deny you these rights or to ask you to surrender the rights. These restrictions translate to certain responsibilities for you if you distribute copies of the software, or if you modify it. For example, if you distribute copies of such a program, whether gratis or for a fee, you must give the recipients all the rights that you have. You must make sure that they, too, receive or can get the source code. And you must show them these terms so they know their rights. We protect your rights with two steps: (1) copyright the software, and (2) offer you this license which gives you legal permission to copy, distribute and/or modify the software. Also, for each author's protection and ours, we want to make certain that everyone understands that there is no warranty for this free software. If the software is modified by someone else and passed on, we want its recipients to know that what they have is not the original, so that any problems introduced by others will not reflect on the original authors' reputations. Finally, any free program is threatened constantly by software patents. We wish to avoid the danger that redistributors of a free program will individually obtain patent licenses, in effect making the program proprietary. To prevent this, we have made it clear that any patent must be licensed for everyone's free use or not licensed at all. The precise terms and conditions for copying, distribution and modification follow. GNU GENERAL PUBLIC LICENSE TERMS AND CONDITIONS FOR COPYING, DISTRIBUTION AND MODIFICATION 0. This License applies to any program or other work which contains a notice placed by the copyright holder saying it may be distributed under the terms of this General Public License. The "Program", below, refers to any such program or work, and a "work based on the Program" means either the Program or any derivative work under copyright law: that is to say, a work containing the Program or a portion of it, either verbatim or with modifications and/or translated into another language. (Hereinafter, translation is included without limitation in the term "modification".) Each licensee is addressed as "you". Activities other than copying, distribution and modification are not covered by this License; they are outside its scope. The act of running the Program is not restricted, and the output from the Program is covered only if its contents constitute a work based on the Program (independent of having been made by running the Program). Whether that is true depends on what the Program does. 1. You may copy and distribute verbatim copies of the Program's source code as you receive it, in any medium, provided that you conspicuously and appropriately publish on each copy an appropriate copyright notice and disclaimer of warranty; keep intact all the notices that refer to this License and to the absence of any warranty; and give any other recipients of the Program a copy of this License along with the Program. You may charge a fee for the physical act of transferring a copy, and you may at your option offer warranty protection in exchange for a fee. 2. You may modify your copy or copies of the Program or any portion of it, thus forming a work based on the Program, and copy and distribute such modifications or work under the terms of Section 1 above, provided that you also meet all of these conditions: a) You must cause the modified files to carry prominent notices stating that you changed the files and the date of any change. b) You must cause any work that you distribute or publish, that in whole or in part contains or is derived from the Program or any part thereof, to be licensed as a whole at no charge to all third parties under the terms of this License. c) If the modified program normally reads commands interactively when run, you must cause it, when started running for such interactive use in the most ordinary way, to print or display an announcement including an appropriate copyright notice and a notice that there is no warranty (or else, saying that you provide a warranty) and that users may redistribute the program under these conditions, and telling the user how to view a copy of this License. (Exception: if the Program itself is interactive but does not normally print such an announcement, your work based on the Program is not required to print an announcement.) These requirements apply to the modified work as a whole. If identifiable sections of that work are not derived from the Program, and can be reasonably considered independent and separate works in themselves, then this License, and its terms, do not apply to those sections when you distribute them as separate works. But when you distribute the same sections as part of a whole which is a work based on the Program, the distribution of the whole must be on the terms of this License, whose permissions for other licensees extend to the entire whole, and thus to each and every part regardless of who wrote it. Thus, it is not the intent of this section to claim rights or contest your rights to work written entirely by you; rather, the intent is to exercise the right to control the distribution of derivative or collective works based on the Program. In addition, mere aggregation of another work not based on the Program with the Program (or with a work based on the Program) on a volume of a storage or distribution medium does not bring the other work under the scope of this License. 3. You may copy and distribute the Program (or a work based on it, under Section 2) in object code or executable form under the terms of Sections 1 and 2 above provided that you also do one of the following: a) Accompany it with the complete corresponding machine-readable source code, which must be distributed under the terms of Sections 1 and 2 above on a medium customarily used for software interchange; or, b) Accompany it with a written offer, valid for at least three years, to give any third party, for a charge no more than your cost of physically performing source distribution, a complete machine-readable copy of the corresponding source code, to be distributed under the terms of Sections 1 and 2 above on a medium customarily used for software interchange; or, c) Accompany it with the information you received as to the offer to distribute corresponding source code. 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These actions are prohibited by law if you do not accept this License. Therefore, by modifying or distributing the Program (or any work based on the Program), you indicate your acceptance of this License to do so, and all its terms and conditions for copying, distributing or modifying the Program or works based on it. 6. Each time you redistribute the Program (or any work based on the Program), the recipient automatically receives a license from the original licensor to copy, distribute or modify the Program subject to these terms and conditions. You may not impose any further restrictions on the recipients' exercise of the rights granted herein. You are not responsible for enforcing compliance by third parties to this License. 7. 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If the distribution and/or use of the Program is restricted in certain countries either by patents or by copyrighted interfaces, the original copyright holder who places the Program under this License may add an explicit geographical distribution limitation excluding those countries, so that distribution is permitted only in or among countries not thus excluded. In such case, this License incorporates the limitation as if written in the body of this License. 9. The Free Software Foundation may publish revised and/or new versions of the General Public License from time to time. Such new versions will be similar in spirit to the present version, but may differ in detail to address new problems or concerns. Each version is given a distinguishing version number. If the Program specifies a version number of this License which applies to it and "any later version", you have the option of following the terms and conditions either of that version or of any later version published by the Free Software Foundation. If the Program does not specify a version number of this License, you may choose any version ever published by the Free Software Foundation. 10. If you wish to incorporate parts of the Program into other free programs whose distribution conditions are different, write to the author to ask for permission. For software which is copyrighted by the Free Software Foundation, write to the Free Software Foundation; we sometimes make exceptions for this. Our decision will be guided by the two goals of preserving the free status of all derivatives of our free software and of promoting the sharing and reuse of software generally. NO WARRANTY 11. BECAUSE THE PROGRAM IS LICENSED FREE OF CHARGE, THERE IS NO WARRANTY FOR THE PROGRAM, TO THE EXTENT PERMITTED BY APPLICABLE LAW. EXCEPT WHEN OTHERWISE STATED IN WRITING THE COPYRIGHT HOLDERS AND/OR OTHER PARTIES PROVIDE THE PROGRAM "AS IS" WITHOUT WARRANTY OF ANY KIND, EITHER EXPRESSED OR IMPLIED, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE. THE ENTIRE RISK AS TO THE QUALITY AND PERFORMANCE OF THE PROGRAM IS WITH YOU. SHOULD THE PROGRAM PROVE DEFECTIVE, YOU ASSUME THE COST OF ALL NECESSARY SERVICING, REPAIR OR CORRECTION. 12. IN NO EVENT UNLESS REQUIRED BY APPLICABLE LAW OR AGREED TO IN WRITING WILL ANY COPYRIGHT HOLDER, OR ANY OTHER PARTY WHO MAY MODIFY AND/OR REDISTRIBUTE THE PROGRAM AS PERMITTED ABOVE, BE LIABLE TO YOU FOR DAMAGES, INCLUDING ANY GENERAL, SPECIAL, INCIDENTAL OR CONSEQUENTIAL DAMAGES ARISING OUT OF THE USE OR INABILITY TO USE THE PROGRAM (INCLUDING BUT NOT LIMITED TO LOSS OF DATA OR DATA BEING RENDERED INACCURATE OR LOSSES SUSTAINED BY YOU OR THIRD PARTIES OR A FAILURE OF THE PROGRAM TO OPERATE WITH ANY OTHER PROGRAMS), EVEN IF SUCH HOLDER OR OTHER PARTY HAS BEEN ADVISED OF THE POSSIBILITY OF SUCH DAMAGES. END OF TERMS AND CONDITIONS How to Apply These Terms to Your New Programs If you develop a new program, and you want it to be of the greatest possible use to the public, the best way to achieve this is to make it free software which everyone can redistribute and change under these terms. To do so, attach the following notices to the program. It is safest to attach them to the start of each source file to most effectively convey the exclusion of warranty; and each file should have at least the "copyright" line and a pointer to where the full notice is found. Copyright (C) This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Steet, Fifth Floor, Boston, MA 02110-1301, USA. Also add information on how to contact you by electronic and paper mail. If the program is interactive, make it output a short notice like this when it starts in an interactive mode: Gnomovision version 69, Copyright (C) year name of author Gnomovision comes with ABSOLUTELY NO WARRANTY; for details type `show w'. This is free software, and you are welcome to redistribute it under certain conditions; type `show c' for details. The hypothetical commands `show w' and `show c' should show the appropriate parts of the General Public License. Of course, the commands you use may be called something other than `show w' and `show c'; they could even be mouse-clicks or menu items--whatever suits your program. You should also get your employer (if you work as a programmer) or your school, if any, to sign a "copyright disclaimer" for the program, if necessary. Here is a sample; alter the names: Yoyodyne, Inc., hereby disclaims all copyright interest in the program `Gnomovision' (which makes passes at compilers) written by James Hacker. , 1 April 1989 Ty Coon, President of Vice This General Public License does not permit incorporating your program into proprietary programs. If your program is a subroutine library, you may consider it more useful to permit linking proprietary applications with the library. If this is what you want to do, use the GNU Library General Public License instead of this License. ------------------------------------------------------------------------- PyMca5-5.2.2/doc/0000755000276300001750000000000013205526235013473 5ustar solebliss00000000000000PyMca5-5.2.2/doc/man/0000755000276300001750000000000013205526235014246 5ustar solebliss00000000000000PyMca5-5.2.2/doc/man/pymcabatch.10000644000276300001750000000321313136054446016445 0ustar solebliss00000000000000.TH pymcabatch 1 "March 2012" "ESRF" "PyMca X-Ray Fluorescence Toolkit" .SH NAME pymcabatch - Batch fitting of X-ray Fluorescence Spectra .SH SYNOPSIS pymcabatch [OPTIONS] [FILES] .SH DESCRIPTION .P Loops over a series of input files to which the same fitting parameters can be applied. The setup of the fit configuration is usually made via the main PyMca application. The program stores the fitted parameters inside the IMAGES directory created in the user specfified output directory. The pymcapostbatch tool can perform further analysis via correlation tools. The user can also request an HTML report. This is much slower but can be convenient to browse the results with a Web browser. This tool is also accessible via the Tools menu of the main PyMca window application. .SH EXAMPLES .B pymcabatch Open a dialog to select input files, fit configuration, output directory and output parameters. .B pymcabatch --cfg=fitconfig.cfg --outdir=/tmp/ *.mca Fit all the .mca files in current directory using the specified confifuration file fitconfig.cfg and stores the output in /tmp .B pymcabatch --cfg=fitconfig.cfg --outdir=/tmp/ --listfile=inputfiles Same as above but taken the files from the inputfiles file. This file is just a text file with one file path in each line. .B pymcabatch --cfg=fitconfig.cfg --outdir=/tmp/ --concentrations=1 --listfile=inputfiles Same as above but calculating the concentrations. .SH CAVEATS This tool, when used in command line mode, could run fully Qt independent because in that case it uses Qt just for showing the progress bar. .SH SEE ALSO pymca, pymcapostbatch PyMca5-5.2.2/doc/man/peakidentifier.10000644000276300001750000000105113136054446017313 0ustar solebliss00000000000000.TH peakidentifier 1 "March 2012" "ESRF" "PyMca X-Ray Fluorescence Toolkit" .SH NAME peakidentifier - Given a photon energy, list the possible elements. .SH SYNOPSIS peakidentifier .SH DESCRIPTION .P Given an energy and a threshold, list all the elements emitting X-rays in the range [energy-threshold, energy+threshold]. User can select the lines to be considered: K, L1, L2, L3, M, ... The program list the element, the IUPAC line name and the relative intensity of the line among the family of lines to which belong. .SH SEE ALSO xraylib PyMca5-5.2.2/doc/man/pymca.10000644000276300001750000000153413136054446015447 0ustar solebliss00000000000000.\" .\" Man page for pymca .\" .TH pymca 1 "March 2012" "ESRF" "PyMca X-Ray Fluorescence Toolkit" .SH NAME pymca - PyMca X-Ray Fluorescence Toolkit main application .SH SYNOPSIS pymca [OPTION]... [FILE] .SH DESCRIPTION .P Start the graphical user interface of the PyMca X-Ray Fluorescence Toolkit main window using latest user defined default settings. .P If FILE is given, it will be opened in the program provided its format is supported. .B -f bypass user defined default settings .SH EXAMPLES .B pymca -f .P Start the program bypassing user defined default settings. .B pymca -f LShellConstants.dat .P Open the LShellConstants.dat and list its contents in the source browser. .B pymca -f your_HDF5_file.h5 .P Allows one to browse the HDF5 file your_HDF5_file.h5 in PyMca if the Python module h5py is installed. .SH SEE ALSO HDF5, h5py PyMca5-5.2.2/doc/man/rgbcorrelator.10000644000276300001750000000177413136054446017213 0ustar solebliss00000000000000.TH rgbcorrelator 1 "March 2012" "ESRF" "PyMca X-Ray Fluorescence Toolkit" .SH NAME rgbcorrelator - PyMca image correlation analysis application .SH SYNOPSIS rgbcorrelator [FILE1] [FILE2] ... .SH DESCRIPTION .P This an alias to pymcapostbatch Start the graphical user interface of the PyMca X-Ray Fluorescence Toolkit rgbcorrelator tool. It allows one to superpose up to three images in RED, GREEN and BLUE in order to investigate correlations among them. All the images have to be of the same dimension. The program builds a table with all the input images but only three of them can be superposed at the same time. This program also offers the possibility to perform mathematical operations among the images and simple multivariate analysis. .SH EXAMPLES .B rgbcorrelator .P Start the program with a file browser to select the input files. .B rgbcorrelator file1.tif file2.tif file3.tif file4.tif .P Tries to open the files named file1.tif, file2.tif, file3.tif and file4.tif. .SH SEE ALSO ImageJ PyMca5-5.2.2/doc/man/pymcaroitool.10000644000276300001750000000403013136054446017051 0ustar solebliss00000000000000.\" .\" Man page for pymcaroitool .\" .TH pymcaroitool 1 "March 2012" "ESRF" "PyMca X-Ray Fluorescence Toolkit" .SH NAME pymcaroitool - PyMca region-of-interest imaging X application .SH SYNOPSIS pymcaroitool [OPTIONS]... [FILE(S)] .SH DESCRIPTION .P Start the graphical user interface of the PyMca X-Ray Fluorescence Toolkit region-of-interest imaging tool. This tool is best suited for handling datasets that can be represented by three-dimensional arrays. Typical cases are stacks of images (first dimension is image number) or 2D maps of 1D spectra (last dimension is spectrum channel number). It allows one to display maps of particular regions of the spectra or spectra of a particular region of the map. A system of plugins allow to extend the capabilities of this tool. Plugins for multivariate analysis are already built in. .P If FILE is given, it will be opened in the program provided its format is supported. .SH EXAMPLES .B pymcaroitool .P Start the program with a file browser to select the input files. .B pymcaroitool file_0001.edf .P Tries to open the file named file_0001.edf and all indexed files of the form file_????.edf where ???? is a number. .B pymcaroitool --imagestack=1 file_0001.edf .P Tries to open the file named file_0001.edf and all indexed files of the form file_????.edf where ???? is a number as a set of images. .B pymcaroitool uncompressed_tiff_file_0001.tif .P Tries to open a series of uncompressed TIFF files as an image stack. .B pymcaroitool --begin=100 --end=200 --filepattern=file_%05d.edf .P Start the program loading the single indexed files from file_00100.edf to file_00200.edf .B pymcaroitool --begin=10,100 --end=20,200 --filepattern=row%d_col%03d.dat .P Load the double indexed files from row10_col100.dat, row10_col101.dat, ... to row20_col00199.dat, row20_col00200.dat .SH CAVEATS If files f_000.xxx and f_001.xxx are present in the same directory, the program will always try to load both of them unless a cumbersome way using a file pattern is used. .SH SEE ALSO HDF5, h5py PyMca5-5.2.2/doc/man/edfviewer.10000644000276300001750000000124113136054446016311 0ustar solebliss00000000000000.TH edfviewer 1 "March 2012" "ESRF" "PyMca X-Ray Fluorescence Toolkit" .SH NAME edfviewer - Simple EDF file viewer .SH SYNOPSIS edfviewer [FILE(S)] .SH DESCRIPTION .P Tool to visualize image files which format has been wrapped as EDF into the X-ray fluorescence toolkit. Files that can be visualized by this tool include European Synchrotron Radiation Facility data format, uncompressed or packbits TIFF, ADSC .img, Pilatus .cbf and MarCCD among others. Consider other tools if you want to do something else than just simple visualization: pymca, pymcaroitool or rgbcorrelator should be preferred in that case. .SH SEE ALSO pymca, pymcaroitool, rgbcorrelator PyMca5-5.2.2/doc/man/mca2edf.10000644000276300001750000000261113136054446015634 0ustar solebliss00000000000000.TH mca2edf 1 "March 2012" "ESRF" "PyMca X-Ray Fluorescence Toolkit" .SH NAME mca2edf - Convert SPEC file format files to EDF format .SH SYNOPSIS mca2edf [OPTIONS] [FILES] .SH DESCRIPTION .P X-ray maps were stored at the European Synchrotron Radiation Facility as a set of images in ESRF Data Format (EDF). The image rows being associated to points of a horizontal sample scan and the image columns to the spectrum channels. This tool allows one to convert a set of files wrapped by the PyMca Toolkit as SPEC file format, and therefore without sample position information, to European Synchrotron Radiation Facility data format (EDF). Its usefulness is nowdays somehow limited because recent PyMca developements allow to reshape nspectra x nchannels datasets in the tools making use of the shape information (pymcaroitool, pymcapostbatch). .SH EXAMPLES .B mca2edf Open a dialog to select input files, output directory and the number of spectra on each horizontal row. .B mca2edf --outdir=/tmp --mcastep=2 *.mca Convert all the .mca files in current directory to a set of EDF files containing two spectra. The output is placed in /tmp .B mca2edf --outdir=/tmp --mcastep=2 --listfile=input_file Same as before but applied to all the files listed in input_file. Each line of input_file must contain a valid file name. .SH SEE ALSO pymcaroitool, pymcapostbatch PyMca5-5.2.2/doc/man/elementsinfo.10000644000276300001750000000055113136054446017024 0ustar solebliss00000000000000.TH elementsinfo 1 "March 2012" "ESRF" "PyMca X-Ray Fluorescence Toolkit" .SH NAME elementsinfo - Periodic table with Atomic Constants used by PyMca .SH SYNOPSIS elementsinfo .SH DESCRIPTION .P Periodic table displaying the shell constants and X-ray emission branching ratios as function of photon excitation energy used by PyMca. .SH SEE ALSO xraylib PyMca5-5.2.2/doc/man/pymcapostbatch.10000644000276300001750000000210513136054446017352 0ustar solebliss00000000000000.TH pymcapostbatch 1 "March 2012" "ESRF" "PyMca X-Ray Fluorescence Toolkit" .SH NAME pymcapostbatch - PyMca batch result analysis application .SH SYNOPSIS pymcapostbatch [FILE1] [FILE2] ... .SH DESCRIPTION .P Start the graphical user interface of the PyMca X-Ray Fluorescence Toolkit image correlation tool. This tool is automatically launched by the PyMca X-ray fluorescence toolkit after a batch analysis. It allows one to superpose up to three images in RED, GREEN and BLUE in order to investigate correlations among them. All the images have to be of the same dimension. The program builds a table with all the input images but only three of them can be superposed at the same time. This program also offers the possibility to perform mathematical operations among the images and simple multivariate analysis. .SH EXAMPLES .B pymcapostbatch .P Start the program with a file browser to select the input files. .B pymcapostbatch file1.tif file2.tif file3.tif file4.tif .P Tries to open the files named file1.tif, file2.tif, file3.tif and file4.tif. .SH SEE ALSO ImageJ PyMca5-5.2.2/doc/source/0000755000276300001750000000000013205526235014773 5ustar solebliss00000000000000PyMca5-5.2.2/doc/source/PyMca5.PyMcaMath.sift.rst0000644000276300001750000000247513136054446021424 0ustar solebliss00000000000000sift Package ============ :mod:`sift` Package ------------------- .. automodule:: PyMca5.PyMcaMath.sift :members: :undoc-members: :show-inheritance: :mod:`alignment` Module ----------------------- .. automodule:: PyMca5.PyMcaMath.sift.alignment :members: :undoc-members: :show-inheritance: :mod:`interpolation` Module --------------------------- .. automodule:: PyMca5.PyMcaMath.sift.interpolation :members: :undoc-members: :show-inheritance: :mod:`match` Module ------------------- .. automodule:: PyMca5.PyMcaMath.sift.match :members: :undoc-members: :show-inheritance: :mod:`opencl` Module -------------------- .. automodule:: PyMca5.PyMcaMath.sift.opencl :members: :undoc-members: :show-inheritance: :mod:`param` Module ------------------- .. automodule:: PyMca5.PyMcaMath.sift.param :members: :undoc-members: :show-inheritance: :mod:`plan` Module ------------------ .. automodule:: PyMca5.PyMcaMath.sift.plan :members: :undoc-members: :show-inheritance: :mod:`sift` Module ------------------ .. automodule:: PyMca5.PyMcaMath.sift.sift :members: :undoc-members: :show-inheritance: :mod:`utils` Module ------------------- .. automodule:: PyMca5.PyMcaMath.sift.utils :members: :undoc-members: :show-inheritance: PyMca5-5.2.2/doc/source/PyMca5.PyMcaPhysics.rst0000644000276300001750000000067313136054446021207 0ustar solebliss00000000000000PyMcaPhysics Package ==================== :mod:`PyMcaPhysics` Package --------------------------- .. automodule:: PyMca5.PyMcaPhysics :members: :undoc-members: :show-inheritance: :mod:`SixCircle` Module ----------------------- .. automodule:: PyMca5.PyMcaPhysics.SixCircle :members: :undoc-members: :show-inheritance: Subpackages ----------- .. toctree:: PyMca5.PyMcaPhysics.xas PyMca5.PyMcaPhysics.xrf PyMca5-5.2.2/doc/source/conf.py0000644000276300001750000002007713136054446016303 0ustar solebliss00000000000000# -*- coding: utf-8 -*- # # PyMca documentation build configuration file, created by # sphinx-quickstart on Mon Dec 9 19:27:24 2013. # # This file is execfile()d with the current directory set to its containing dir. # # Note that not all possible configuration values are present in this # autogenerated file. # # All configuration values have a default; values that are commented out # serve to show the default. import sys, os # If extensions (or modules to document with autodoc) are in another directory, # add these directories to sys.path here. If the directory is relative to the # documentation root, use os.path.abspath to make it absolute, like shown here. #sys.path.insert(0, os.path.abspath('.')) # -- General configuration ----------------------------------------------------- # __init__ start # uncomment these lines to document __init__ methods #def skip(app, what, name, obj, skip, options): # if name == "__init__": # return False # return skip # #def setup(app): # app.connect("autodoc-skip-member", skip) # # __init__ end # If your documentation needs a minimal Sphinx version, state it here. #needs_sphinx = '1.0' # Add any Sphinx extension module names here, as strings. They can be extensions # coming with Sphinx (named 'sphinx.ext.*') or your custom ones. extensions = ['sphinx.ext.autodoc', 'sphinx.ext.coverage', 'sphinx.ext.viewcode'] # Add any paths that contain templates here, relative to this directory. templates_path = ['_templates'] # The suffix of source filenames. source_suffix = '.rst' # The encoding of source files. #source_encoding = 'utf-8-sig' # The master toctree document. master_doc = 'index' # General information about the project. project = u'PyMca5' copyright = u'2014, V Armando Solé' # The version info for the project you're documenting, acts as replacement for # |version| and |release|, also used in various other places throughout the # built documents. # # The short X.Y version. version = '5.0.0' # The full version, including alpha/beta/rc tags. release = '5.0.0' # The language for content autogenerated by Sphinx. Refer to documentation # for a list of supported languages. #language = None # There are two options for replacing |today|: either, you set today to some # non-false value, then it is used: #today = '' # Else, today_fmt is used as the format for a strftime call. #today_fmt = '%B %d, %Y' # List of patterns, relative to source directory, that match files and # directories to ignore when looking for source files. exclude_patterns = [] # The reST default role (used for this markup: `text`) to use for all documents. #default_role = None # If true, '()' will be appended to :func: etc. cross-reference text. #add_function_parentheses = True # If true, the current module name will be prepended to all description # unit titles (such as .. function::). #add_module_names = True # If true, sectionauthor and moduleauthor directives will be shown in the # output. They are ignored by default. #show_authors = False # The name of the Pygments (syntax highlighting) style to use. pygments_style = 'sphinx' # A list of ignored prefixes for module index sorting. #modindex_common_prefix = [] # If true, keep warnings as "system message" paragraphs in the built documents. #keep_warnings = False # -- Options for HTML output --------------------------------------------------- # The theme to use for HTML and HTML Help pages. See the documentation for # a list of builtin themes. html_theme = 'default' # Theme options are theme-specific and customize the look and feel of a theme # further. For a list of options available for each theme, see the # documentation. #html_theme_options = {} # Add any paths that contain custom themes here, relative to this directory. #html_theme_path = [] # The name for this set of Sphinx documents. If None, it defaults to # " v documentation". #html_title = None # A shorter title for the navigation bar. Default is the same as html_title. #html_short_title = None # The name of an image file (relative to this directory) to place at the top # of the sidebar. #html_logo = None # The name of an image file (within the static path) to use as favicon of the # docs. This file should be a Windows icon file (.ico) being 16x16 or 32x32 # pixels large. #html_favicon = None # Add any paths that contain custom static files (such as style sheets) here, # relative to this directory. They are copied after the builtin static files, # so a file named "default.css" will overwrite the builtin "default.css". html_static_path = ['_static'] # If not '', a 'Last updated on:' timestamp is inserted at every page bottom, # using the given strftime format. #html_last_updated_fmt = '%b %d, %Y' # If true, SmartyPants will be used to convert quotes and dashes to # typographically correct entities. #html_use_smartypants = True # Custom sidebar templates, maps document names to template names. #html_sidebars = {} # Additional templates that should be rendered to pages, maps page names to # template names. #html_additional_pages = {} # If false, no module index is generated. #html_domain_indices = True # If false, no index is generated. #html_use_index = True # If true, the index is split into individual pages for each letter. #html_split_index = False # If true, links to the reST sources are added to the pages. #html_show_sourcelink = True # If true, "Created using Sphinx" is shown in the HTML footer. Default is True. #html_show_sphinx = True # If true, "(C) Copyright ..." is shown in the HTML footer. Default is True. #html_show_copyright = True # If true, an OpenSearch description file will be output, and all pages will # contain a tag referring to it. The value of this option must be the # base URL from which the finished HTML is served. #html_use_opensearch = '' # This is the file name suffix for HTML files (e.g. ".xhtml"). #html_file_suffix = None # Output file base name for HTML help builder. htmlhelp_basename = 'PyMcadoc' # -- Options for LaTeX output -------------------------------------------------- latex_elements = { # The paper size ('letterpaper' or 'a4paper'). #'papersize': 'letterpaper', # The font size ('10pt', '11pt' or '12pt'). #'pointsize': '10pt', # Additional stuff for the LaTeX preamble. #'preamble': '', } # Grouping the document tree into LaTeX files. List of tuples # (source start file, target name, title, author, documentclass [howto/manual]). latex_documents = [ ('index', 'PyMca5.tex', u'PyMca5 Documentation', u'V Armando Solé', 'manual'), ] # The name of an image file (relative to this directory) to place at the top of # the title page. #latex_logo = None # For "manual" documents, if this is true, then toplevel headings are parts, # not chapters. #latex_use_parts = False # If true, show page references after internal links. #latex_show_pagerefs = False # If true, show URL addresses after external links. #latex_show_urls = False # Documents to append as an appendix to all manuals. #latex_appendices = [] # If false, no module index is generated. #latex_domain_indices = True # -- Options for manual page output -------------------------------------------- # One entry per manual page. List of tuples # (source start file, name, description, authors, manual section). man_pages = [ ('index', 'pymca5', u'PyMca5 Documentation', [u'V Armando Solé'], 1) ] # If true, show URL addresses after external links. #man_show_urls = False # -- Options for Texinfo output ------------------------------------------------ # Grouping the document tree into Texinfo files. List of tuples # (source start file, target name, title, author, # dir menu entry, description, category) texinfo_documents = [ ('index', 'PyMca5', u'PyMca5 Documentation', u'V Armando Solé', 'PyMca5', 'One line description of project.', 'Miscellaneous'), ] # Documents to append as an appendix to all manuals. #texinfo_appendices = [] # If false, no module index is generated. #texinfo_domain_indices = True # How to display URL addresses: 'footnote', 'no', or 'inline'. #texinfo_show_urls = 'footnote' # If true, do not generate a @detailmenu in the "Top" node's menu. #texinfo_no_detailmenu = False PyMca5-5.2.2/doc/source/PyMca5.PyMcaMath.PyMcaSciPy.rst0000644000276300001750000000016613136054446022433 0ustar solebliss00000000000000PyMcaSciPy Package ================== Subpackages ----------- .. toctree:: PyMca5.PyMcaMath.PyMcaSciPy.signal PyMca5-5.2.2/doc/source/PyMca5.PyMcaGui.pymca.rst0000644000276300001750000001725113136054446021421 0ustar solebliss00000000000000pymca Package ============= :mod:`ChangeLog` Module ----------------------- .. automodule:: PyMca5.PyMcaGui.pymca.ChangeLog :members: :undoc-members: :show-inheritance: :mod:`EdfFileSimpleViewer` Module --------------------------------- .. automodule:: PyMca5.PyMcaGui.pymca.EdfFileSimpleViewer :members: :undoc-members: :show-inheritance: :mod:`ExternalImagesWindow` Module ---------------------------------- .. automodule:: PyMca5.PyMcaGui.pymca.ExternalImagesWindow :members: :undoc-members: :show-inheritance: :mod:`Fit2Spec` Module ---------------------- .. automodule:: PyMca5.PyMcaGui.pymca.Fit2Spec :members: :undoc-members: :show-inheritance: :mod:`Mca2Edf` Module --------------------- .. automodule:: PyMca5.PyMcaGui.pymca.Mca2Edf :members: :undoc-members: :show-inheritance: :mod:`McaCalibrationControlGUI` Module -------------------------------------- .. automodule:: PyMca5.PyMcaGui.pymca.McaCalibrationControlGUI :members: :undoc-members: :show-inheritance: :mod:`McaCustomEvent` Module ---------------------------- .. automodule:: PyMca5.PyMcaGui.pymca.McaCustomEvent :members: :undoc-members: :show-inheritance: :mod:`McaSimpleFit` Module -------------------------- .. automodule:: PyMca5.PyMcaGui.pymca.McaSimpleFit :members: :undoc-members: :show-inheritance: :mod:`McaWindow` Module ----------------------- .. automodule:: PyMca5.PyMcaGui.pymca.McaWindow :members: :undoc-members: :show-inheritance: :mod:`Median2DBrowser` Module ----------------------------- .. automodule:: PyMca5.PyMcaGui.pymca.Median2DBrowser :members: :undoc-members: :show-inheritance: :mod:`PyMcaBatch` Module ------------------------ .. automodule:: PyMca5.PyMcaGui.pymca.PyMcaBatch :members: :undoc-members: :show-inheritance: :mod:`PyMcaFileDialogs` Module ------------------------------ .. automodule:: PyMca5.PyMcaGui.pymca.PyMcaFileDialogs :members: :undoc-members: :show-inheritance: :mod:`PyMcaGLWindow` Module --------------------------- .. automodule:: PyMca5.PyMcaGui.pymca.PyMcaGLWindow :members: :undoc-members: :show-inheritance: :mod:`PyMcaHKLImageWindow` Module --------------------------------- .. automodule:: PyMca5.PyMcaGui.pymca.PyMcaHKLImageWindow :members: :undoc-members: :show-inheritance: :mod:`PyMcaImageWindow` Module ------------------------------ .. automodule:: PyMca5.PyMcaGui.pymca.PyMcaImageWindow :members: :undoc-members: :show-inheritance: :mod:`PyMcaMain` Module ----------------------- .. automodule:: PyMca5.PyMcaGui.pymca.PyMcaMain :members: :undoc-members: :show-inheritance: :mod:`PyMcaMdi` Module ---------------------- .. automodule:: PyMca5.PyMcaGui.pymca.PyMcaMdi :members: :undoc-members: :show-inheritance: :mod:`PyMcaNexusWidget` Module ------------------------------ .. automodule:: PyMca5.PyMcaGui.pymca.PyMcaNexusWidget :members: :undoc-members: :show-inheritance: :mod:`PyMcaPostBatch` Module ---------------------------- .. automodule:: PyMca5.PyMcaGui.pymca.PyMcaPostBatch :members: :undoc-members: :show-inheritance: :mod:`PyMca_help` Module ------------------------ .. automodule:: PyMca5.PyMcaGui.pymca.PyMca_help :members: :undoc-members: :show-inheritance: :mod:`QDataSource` Module ------------------------- .. automodule:: PyMca5.PyMcaGui.pymca.QDataSource :members: :undoc-members: :show-inheritance: :mod:`QDispatcher` Module ------------------------- .. automodule:: PyMca5.PyMcaGui.pymca.QDispatcher :members: :undoc-members: :show-inheritance: :mod:`QHDF5Stack1D` Module -------------------------- .. automodule:: PyMca5.PyMcaGui.pymca.QHDF5Stack1D :members: :undoc-members: :show-inheritance: :mod:`QHDF5StackWizard` Module ------------------------------ .. automodule:: PyMca5.PyMcaGui.pymca.QHDF5StackWizard :members: :undoc-members: :show-inheritance: :mod:`QPyMcaMatplotlibSave` Module ---------------------------------- .. automodule:: PyMca5.PyMcaGui.pymca.QPyMcaMatplotlibSave :members: :undoc-members: :show-inheritance: :mod:`QPyMcaMatplotlibSave1D` Module ------------------------------------ .. automodule:: PyMca5.PyMcaGui.pymca.QPyMcaMatplotlibSave1D :members: :undoc-members: :show-inheritance: :mod:`QSource` Module --------------------- .. automodule:: PyMca5.PyMcaGui.pymca.QSource :members: :undoc-members: :show-inheritance: :mod:`QSpsDataSource` Module ---------------------------- .. automodule:: PyMca5.PyMcaGui.pymca.QSpsDataSource :members: :undoc-members: :show-inheritance: :mod:`QStack` Module -------------------- .. automodule:: PyMca5.PyMcaGui.pymca.QStack :members: :undoc-members: :show-inheritance: :mod:`QStackWidget` Module -------------------------- .. automodule:: PyMca5.PyMcaGui.pymca.QStackWidget :members: :undoc-members: :show-inheritance: :mod:`RGBCorrelator` Module --------------------------- .. automodule:: PyMca5.PyMcaGui.pymca.RGBCorrelator :members: :undoc-members: :show-inheritance: :mod:`RGBCorrelatorSlider` Module --------------------------------- .. automodule:: PyMca5.PyMcaGui.pymca.RGBCorrelatorSlider :members: :undoc-members: :show-inheritance: :mod:`RGBCorrelatorTable` Module -------------------------------- .. automodule:: PyMca5.PyMcaGui.pymca.RGBCorrelatorTable :members: :undoc-members: :show-inheritance: :mod:`RGBCorrelatorWidget` Module --------------------------------- .. automodule:: PyMca5.PyMcaGui.pymca.RGBCorrelatorWidget :members: :undoc-members: :show-inheritance: :mod:`RGBImageCalculator` Module -------------------------------- .. automodule:: PyMca5.PyMcaGui.pymca.RGBImageCalculator :members: :undoc-members: :show-inheritance: :mod:`ScanFit` Module --------------------- .. automodule:: PyMca5.PyMcaGui.pymca.ScanFit :members: :undoc-members: :show-inheritance: :mod:`ScanWindow` Module ------------------------ .. automodule:: PyMca5.PyMcaGui.pymca.ScanWindow :members: :undoc-members: :show-inheritance: :mod:`ScanWindowInfoWidget` Module ---------------------------------- .. automodule:: PyMca5.PyMcaGui.pymca.ScanWindowInfoWidget :members: :undoc-members: :show-inheritance: :mod:`StackBrowser` Module -------------------------- .. automodule:: PyMca5.PyMcaGui.pymca.StackBrowser :members: :undoc-members: :show-inheritance: :mod:`StackPluginResultsWindow` Module -------------------------------------- .. automodule:: PyMca5.PyMcaGui.pymca.StackPluginResultsWindow :members: :undoc-members: :show-inheritance: :mod:`StackROIWindow` Module ---------------------------- .. automodule:: PyMca5.PyMcaGui.pymca.StackROIWindow :members: :undoc-members: :show-inheritance: :mod:`StackSelector` Module --------------------------- .. automodule:: PyMca5.PyMcaGui.pymca.StackSelector :members: :undoc-members: :show-inheritance: :mod:`StackSimpleFitWindow` Module ---------------------------------- .. automodule:: PyMca5.PyMcaGui.pymca.StackSimpleFitWindow :members: :undoc-members: :show-inheritance: :mod:`SumRulesTool` Module -------------------------- .. automodule:: PyMca5.PyMcaGui.pymca.SumRulesTool :members: :undoc-members: :show-inheritance: :mod:`XMCDWindow` Module ------------------------ .. automodule:: PyMca5.PyMcaGui.pymca.XMCDWindow :members: :undoc-members: :show-inheritance: :mod:`XiaCorrectWizard` Module ------------------------------ .. automodule:: PyMca5.PyMcaGui.pymca.XiaCorrectWizard :members: :undoc-members: :show-inheritance: PyMca5-5.2.2/doc/source/PyMca5.tests.rst0000644000276300001750000000324413136054446017772 0ustar solebliss00000000000000tests Package ============= :mod:`tests` Package -------------------- .. automodule:: PyMca5.tests :members: :undoc-members: :show-inheritance: :mod:`ConfigDictTest` Module ---------------------------- .. automodule:: PyMca5.tests.ConfigDictTest :members: :undoc-members: :show-inheritance: :mod:`DataTest` Module ---------------------- .. automodule:: PyMca5.tests.DataTest :members: :undoc-members: :show-inheritance: :mod:`EdfFileTest` Module ------------------------- .. automodule:: PyMca5.tests.EdfFileTest :members: :undoc-members: :show-inheritance: :mod:`ElementsTest` Module -------------------------- .. automodule:: PyMca5.tests.ElementsTest :members: :undoc-members: :show-inheritance: :mod:`GefitTest` Module ----------------------- .. automodule:: PyMca5.tests.GefitTest :members: :undoc-members: :show-inheritance: :mod:`PCAToolsTest` Module -------------------------- .. automodule:: PyMca5.tests.PCAToolsTest :members: :undoc-members: :show-inheritance: :mod:`SpecfileTest` Module -------------------------- .. automodule:: PyMca5.tests.SpecfileTest :members: :undoc-members: :show-inheritance: :mod:`StackBaseTest` Module --------------------------- .. automodule:: PyMca5.tests.StackBaseTest :members: :undoc-members: :show-inheritance: :mod:`TestAll` Module --------------------- .. automodule:: PyMca5.tests.TestAll :members: :undoc-members: :show-inheritance: :mod:`specfilewrapperTest` Module --------------------------------- .. automodule:: PyMca5.tests.specfilewrapperTest :members: :undoc-members: :show-inheritance: PyMca5-5.2.2/doc/source/PyMca5.PyMcaGui.math.rst0000644000276300001750000000306113136054446021233 0ustar solebliss00000000000000math Package ============ :mod:`FFTAlignmentWindow` Module -------------------------------- .. automodule:: PyMca5.PyMcaGui.math.FFTAlignmentWindow :members: :undoc-members: :show-inheritance: :mod:`NNMADialog` Module ------------------------ .. automodule:: PyMca5.PyMcaGui.math.NNMADialog :members: :undoc-members: :show-inheritance: :mod:`NNMAWindow` Module ------------------------ .. automodule:: PyMca5.PyMcaGui.math.NNMAWindow :members: :undoc-members: :show-inheritance: :mod:`PCADialog` Module ----------------------- .. automodule:: PyMca5.PyMcaGui.math.PCADialog :members: :undoc-members: :show-inheritance: :mod:`PCAWindow` Module ----------------------- .. automodule:: PyMca5.PyMcaGui.math.PCAWindow :members: :undoc-members: :show-inheritance: :mod:`SGWindow` Module ---------------------- .. automodule:: PyMca5.PyMcaGui.math.SGWindow :members: :undoc-members: :show-inheritance: :mod:`SIFTAlignmentWindow` Module --------------------------------- .. automodule:: PyMca5.PyMcaGui.math.SIFTAlignmentWindow :members: :undoc-members: :show-inheritance: :mod:`SNIPWindow` Module ------------------------ .. automodule:: PyMca5.PyMcaGui.math.SNIPWindow :members: :undoc-members: :show-inheritance: :mod:`StripBackgroundWidget` Module ----------------------------------- .. automodule:: PyMca5.PyMcaGui.math.StripBackgroundWidget :members: :undoc-members: :show-inheritance: Subpackages ----------- .. toctree:: PyMca5.PyMcaGui.math.fitting PyMca5-5.2.2/doc/source/modules.rst0000644000276300001750000000006713136054446017203 0ustar solebliss00000000000000PyMca5 ====== .. toctree:: :maxdepth: 4 PyMca5 PyMca5-5.2.2/doc/source/PyMca5.PyMcaGraph.backends.rst0000644000276300001750000000110013136054446022361 0ustar solebliss00000000000000backends Package ================ :mod:`MatplotlibBackend` Module ------------------------------- .. automodule:: PyMca5.PyMcaGraph.backends.MatplotlibBackend :members: :undoc-members: :show-inheritance: :mod:`OpenGLBackend` Module ------------------------------- .. automodule:: PyMca5.PyMcaGraph.backends.OpenGLBackend :members: :undoc-members: :show-inheritance: :mod:`PyQtGraphBackend` Module ------------------------------ .. automodule:: PyMca5.PyMcaGraph.backends.PyQtGraphBackend :members: :undoc-members: :show-inheritance: PyMca5-5.2.2/doc/source/PyMca5.PyMca.rst0000644000276300001750000000023713136054446017640 0ustar solebliss00000000000000PyMca Package ============= :mod:`PyMca` Package -------------------- .. automodule:: PyMca5.PyMca :members: :undoc-members: :show-inheritance: PyMca5-5.2.2/doc/source/PyMca5.PyMcaGui.math.fitting.rst0000644000276300001750000000537613136054446022711 0ustar solebliss00000000000000fitting Package =============== :mod:`CheckField` Module ------------------------ .. automodule:: PyMca5.PyMcaGui.math.fitting.CheckField :members: :undoc-members: :show-inheritance: :mod:`EntryField` Module ------------------------ .. automodule:: PyMca5.PyMcaGui.math.fitting.EntryField :members: :undoc-members: :show-inheritance: :mod:`FitActionsGui` Module --------------------------- .. automodule:: PyMca5.PyMcaGui.math.fitting.FitActionsGui :members: :undoc-members: :show-inheritance: :mod:`FitConfigGui` Module -------------------------- .. automodule:: PyMca5.PyMcaGui.math.fitting.FitConfigGui :members: :undoc-members: :show-inheritance: :mod:`FitStatusGui` Module -------------------------- .. automodule:: PyMca5.PyMcaGui.math.fitting.FitStatusGui :members: :undoc-members: :show-inheritance: :mod:`McaTable` Module ---------------------- .. automodule:: PyMca5.PyMcaGui.math.fitting.McaTable :members: :undoc-members: :show-inheritance: :mod:`MultiParameters` Module ----------------------------- .. automodule:: PyMca5.PyMcaGui.math.fitting.MultiParameters :members: :undoc-members: :show-inheritance: :mod:`Parameters` Module ------------------------ .. automodule:: PyMca5.PyMcaGui.math.fitting.Parameters :members: :undoc-members: :show-inheritance: :mod:`QScriptOption` Module --------------------------- .. automodule:: PyMca5.PyMcaGui.math.fitting.QScriptOption :members: :undoc-members: :show-inheritance: :mod:`SimpleFitBatchGui` Module ------------------------------- .. automodule:: PyMca5.PyMcaGui.math.fitting.SimpleFitBatchGui :members: :undoc-members: :show-inheritance: :mod:`SimpleFitConfigurationGui` Module --------------------------------------- .. automodule:: PyMca5.PyMcaGui.math.fitting.SimpleFitConfigurationGui :members: :undoc-members: :show-inheritance: :mod:`SimpleFitControlWidget` Module ------------------------------------ .. automodule:: PyMca5.PyMcaGui.math.fitting.SimpleFitControlWidget :members: :undoc-members: :show-inheritance: :mod:`SimpleFitGui` Module -------------------------- .. automodule:: PyMca5.PyMcaGui.math.fitting.SimpleFitGui :members: :undoc-members: :show-inheritance: :mod:`SpecfitGui` Module ------------------------ .. automodule:: PyMca5.PyMcaGui.math.fitting.SpecfitGui :members: :undoc-members: :show-inheritance: :mod:`TabSheets` Module ----------------------- .. automodule:: PyMca5.PyMcaGui.math.fitting.TabSheets :members: :undoc-members: :show-inheritance: :mod:`TextField` Module ----------------------- .. automodule:: PyMca5.PyMcaGui.math.fitting.TextField :members: :undoc-members: :show-inheritance: PyMca5-5.2.2/doc/source/PyMca5.PyMcaMath.fitting.rst0000644000276300001750000000207313136054446022115 0ustar solebliss00000000000000fitting Package =============== :mod:`Gefit` Module ------------------- .. automodule:: PyMca5.PyMcaMath.fitting.Gefit :members: :undoc-members: :show-inheritance: :mod:`SimpleFitModule` Module ----------------------------- .. automodule:: PyMca5.PyMcaMath.fitting.SimpleFitModule :members: :undoc-members: :show-inheritance: :mod:`SimpleFitUserEstimatedFunctions` Module --------------------------------------------- .. automodule:: PyMca5.PyMcaMath.fitting.SimpleFitUserEstimatedFunctions :members: :undoc-members: :show-inheritance: :mod:`Specfit` Module --------------------- .. automodule:: PyMca5.PyMcaMath.fitting.Specfit :members: :undoc-members: :show-inheritance: :mod:`SpecfitFunctions` Module ------------------------------ .. automodule:: PyMca5.PyMcaMath.fitting.SpecfitFunctions :members: :undoc-members: :show-inheritance: :mod:`StackSimpleFit` Module ---------------------------- .. automodule:: PyMca5.PyMcaMath.fitting.StackSimpleFit :members: :undoc-members: :show-inheritance: PyMca5-5.2.2/doc/source/PyMca5.PyMcaGui.physics.rst0000644000276300001750000000045113136054446021764 0ustar solebliss00000000000000physics Package =============== :mod:`physics` Package ---------------------- .. automodule:: PyMca5.PyMcaGui.physics :members: :undoc-members: :show-inheritance: Subpackages ----------- .. toctree:: PyMca5.PyMcaGui.physics.xas .. toctree:: PyMca5.PyMcaGui.physics.xrf PyMca5-5.2.2/doc/source/PyMca5.PyMcaGui.plotting.rst0000644000276300001750000000445613136054446022153 0ustar solebliss00000000000000plotting Package ================ :mod:`ColormapDialog` Module ---------------------------- .. automodule:: PyMca5.PyMcaGui.plotting.ColormapDialog :members: :undoc-members: :show-inheritance: :mod:`LegendSelector` Module ---------------------------- .. automodule:: PyMca5.PyMcaGui.plotting.LegendSelector :members: :undoc-members: :show-inheritance: :mod:`MaskImageWidget` Module ----------------------------- .. automodule:: PyMca5.PyMcaGui.plotting.MaskImageWidget :members: :undoc-members: :show-inheritance: :mod:`McaROIWidget` Module -------------------------- .. automodule:: PyMca5.PyMcaGui.plotting.McaROIWidget :members: :undoc-members: :show-inheritance: :mod:`ObjectPrintConfigurationDialog` Module -------------------------------------------- .. automodule:: PyMca5.PyMcaGui.plotting.ObjectPrintConfigurationDialog :members: :undoc-members: :show-inheritance: :mod:`PlotWidget` Module ------------------------ .. automodule:: PyMca5.PyMcaGui.plotting.PlotWidget :members: :undoc-members: :show-inheritance: :mod:`PlotWindow` Module ------------------------ .. automodule:: PyMca5.PyMcaGui.plotting.PlotWindow :members: :undoc-members: :show-inheritance: :mod:`ProfileScanWidget` Module ------------------------------- .. automodule:: PyMca5.PyMcaGui.plotting.ProfileScanWidget :members: :undoc-members: :show-inheritance: :mod:`PyMcaPrintPreview` Module ------------------------------- .. automodule:: PyMca5.PyMcaGui.plotting.PyMcaPrintPreview :members: :undoc-members: :show-inheritance: :mod:`PyMca_Icons` Module ------------------------- .. automodule:: PyMca5.PyMcaGui.plotting.PyMca_Icons :members: :undoc-members: :show-inheritance: :mod:`Q4PyMcaPrintPreview` Module --------------------------------- .. automodule:: PyMca5.PyMcaGui.plotting.Q4PyMcaPrintPreview :members: :undoc-members: :show-inheritance: :mod:`RGBCorrelatorGraph` Module -------------------------------- .. automodule:: PyMca5.PyMcaGui.plotting.RGBCorrelatorGraph :members: :undoc-members: :show-inheritance: :mod:`RenameCurveDialog` Module ------------------------------- .. automodule:: PyMca5.PyMcaGui.plotting.RenameCurveDialog :members: :undoc-members: :show-inheritance: PyMca5-5.2.2/doc/source/PyMca5.Object3D.Object3DPlugins.rst0000644000276300001750000000166213136054446023165 0ustar solebliss00000000000000Object3DPlugins Package ======================= :mod:`ChimeraStack` Module -------------------------- .. automodule:: PyMca5.Object3D.Object3DPlugins.ChimeraStack :members: :undoc-members: :show-inheritance: :mod:`Object3DMesh` Module -------------------------- .. automodule:: PyMca5.Object3D.Object3DPlugins.Object3DMesh :members: :undoc-members: :show-inheritance: :mod:`Object3DMeshConfig` Module -------------------------------- .. automodule:: PyMca5.Object3D.Object3DPlugins.Object3DMeshConfig :members: :undoc-members: :show-inheritance: :mod:`Object3DPixmap` Module ---------------------------- .. automodule:: PyMca5.Object3D.Object3DPlugins.Object3DPixmap :members: :undoc-members: :show-inheritance: :mod:`Object3DStack` Module --------------------------- .. automodule:: PyMca5.Object3D.Object3DPlugins.Object3DStack :members: :undoc-members: :show-inheritance: PyMca5-5.2.2/doc/source/index.rst0000644000276300001750000000465113136054446016645 0ustar solebliss00000000000000.. PyMca5 documentation master file, created by sphinx-quickstart on Mon Dec 9 19:27:24 2013. You can adapt this file completely to your liking, but it should at least contain the root `toctree` directive. Welcome to PyMca's documentation! ================================= Contents: .. toctree:: :maxdepth: 2 modules PyMca ===== PyMca is a collection of Python tools to assist on common data analysis problems. When first released (in 2004), its main motivation was X-Ray Fluorescence (XRF) Analysis, field for which is among the most complete solutions available. Synchotron radiation XRF is closely associated to microscopy. To properly achieve its objectives, PyMca had to incorporate more than just 1D visualization and XRF spectrum modelling. PyMca has evolved into a library and set of tools to provide close-to-the-source data visualization and diagnostic capabilities. Features -------- - State-of-the-art X-Ray Fluorescence Analysis (Quantification, Mapping, ...) - Support of multiple data formats - 1D, 2D, 3D and 4D imaging capabilities - Extendible via plugins. - Large dataset imaging (XRF, Powder diffraction, XAS, FT-IR, Raman, ...) - Multivariate analysis. - Common data reduction operation (normalization, fitting, ...) Installation ------------ It can be installed from source via the usual "python setup.py install" approach (see the README file associated to the source code for details). Official releases and ready-to-use binaries can be downloaded from http://www.sourceforge.net/projects/pymca Contribute ---------- - Issue Tracker: github.com/vasole/pymca/issues - Source Code: github.com/vasole/pymca Support ------- If you are having issues, please let us know. The associated mailing list is: pymca-users@lists.sourceforge.net Subscription URL: http://sourceforge.net/p/pymca/mailman/pymca-users/ License ------- PyMca itself is licensed under the MIT license. Please note that if you use the provided graphical user interfaces (GUI) or other libraries not supplied with PyMca, you can be conditioned by their licenses. For instance, if you use PySide (LGPL license) as widget library, you can safely use PyMca even in close source projects. If you use PyQt (GPL license or commercial license) instead of PySide, you will not be able PyMca in closed source projects unless you own a commercial license of PyQt. Indices and tables ================== * :ref:`genindex` * :ref:`modindex` * :ref:`search` PyMca5-5.2.2/doc/source/PyMca5.PyMcaIO.rst0000644000276300001750000001065613136054446020076 0ustar solebliss00000000000000PyMcaIO Package =============== :mod:`APSMEDFileParser` Module ------------------------------ .. automodule:: PyMca5.PyMcaIO.APSMEDFileParser :members: :undoc-members: :show-inheritance: :mod:`AifiraMap` Module ----------------------- .. automodule:: PyMca5.PyMcaIO.AifiraMap :members: :undoc-members: :show-inheritance: :mod:`ArraySave` Module ----------------------- .. automodule:: PyMca5.PyMcaIO.ArraySave :members: :undoc-members: :show-inheritance: :mod:`BAXSCSVFileParser` Module ------------------------------- .. automodule:: PyMca5.PyMcaIO.BAXSCSVFileParser :members: :undoc-members: :show-inheritance: :mod:`ConfigDict` Module ------------------------ .. automodule:: PyMca5.PyMcaIO.ConfigDict :members: :undoc-members: :show-inheritance: :mod:`EDFStack` Module ---------------------- .. automodule:: PyMca5.PyMcaIO.EDFStack :members: :undoc-members: :show-inheritance: :mod:`EdfFile` Module --------------------- .. automodule:: PyMca5.PyMcaIO.EdfFile :members: :undoc-members: :show-inheritance: :mod:`Fit2DChiFileParser` Module -------------------------------- .. automodule:: PyMca5.PyMcaIO.Fit2DChiFileParser :members: :undoc-members: :show-inheritance: :mod:`HDF5Stack1D` Module ------------------------- .. automodule:: PyMca5.PyMcaIO.HDF5Stack1D :members: :undoc-members: :show-inheritance: :mod:`LuciaMap` Module ---------------------- .. automodule:: PyMca5.PyMcaIO.LuciaMap :members: :undoc-members: :show-inheritance: :mod:`MEDFile` Module --------------------- .. automodule:: PyMca5.PyMcaIO.MEDFile :members: :undoc-members: :show-inheritance: :mod:`MRCMap` Module -------------------- .. automodule:: PyMca5.PyMcaIO.MRCMap :members: :undoc-members: :show-inheritance: :mod:`MarCCD` Module -------------------- .. automodule:: PyMca5.PyMcaIO.MarCCD :members: :undoc-members: :show-inheritance: :mod:`OlympusCSVFileParser` Module ---------------------------------- .. automodule:: PyMca5.PyMcaIO.OlympusCSVFileParser :members: :undoc-members: :show-inheritance: :mod:`OmnicMap` Module ---------------------- .. automodule:: PyMca5.PyMcaIO.OmnicMap :members: :undoc-members: :show-inheritance: :mod:`OpusDPTMap` Module ------------------------ .. automodule:: PyMca5.PyMcaIO.OpusDPTMap :members: :undoc-members: :show-inheritance: :mod:`PilatusCBF` Module ------------------------ .. automodule:: PyMca5.PyMcaIO.PilatusCBF :members: :undoc-members: :show-inheritance: :mod:`RTXMap` Module -------------------- .. automodule:: PyMca5.PyMcaIO.RTXMap :members: :undoc-members: :show-inheritance: :mod:`SPXFileParser` Module --------------------------- .. automodule:: PyMca5.PyMcaIO.SPXFileParser :members: :undoc-members: :show-inheritance: :mod:`SRSFileParser` Module --------------------------- .. automodule:: PyMca5.PyMcaIO.SRSFileParser :members: :undoc-members: :show-inheritance: :mod:`SpecFileAbstractClass` Module ----------------------------------- .. automodule:: PyMca5.PyMcaIO.SpecFileAbstractClass :members: :undoc-members: :show-inheritance: :mod:`SpecFileStack` Module --------------------------- .. automodule:: PyMca5.PyMcaIO.SpecFileStack :members: :undoc-members: :show-inheritance: :mod:`SupaVisioMap` Module -------------------------- .. automodule:: PyMca5.PyMcaIO.SupaVisioMap :members: :undoc-members: :show-inheritance: :mod:`TextImageStack` Module ---------------------------- .. automodule:: PyMca5.PyMcaIO.TextImageStack :members: :undoc-members: :show-inheritance: :mod:`ThermoEMSFileParser` Module --------------------------------- .. automodule:: PyMca5.PyMcaIO.ThermoEMSFileParser :members: :undoc-members: :show-inheritance: :mod:`TiffIO` Module -------------------- .. automodule:: PyMca5.PyMcaIO.TiffIO :members: :undoc-members: :show-inheritance: :mod:`TiffStack` Module ----------------------- .. automodule:: PyMca5.PyMcaIO.TiffStack :members: :undoc-members: :show-inheritance: :mod:`specfilewrapper` Module ----------------------------- .. automodule:: PyMca5.PyMcaIO.specfilewrapper :members: :undoc-members: :show-inheritance: :mod:`spswrap` Module --------------------- .. automodule:: PyMca5.PyMcaIO.spswrap :members: :undoc-members: :show-inheritance: PyMca5-5.2.2/doc/source/PyMca5.PyMcaGui.rst0000644000276300001750000000100113136054446020273 0ustar solebliss00000000000000PyMcaGui Package ================ :mod:`PyMcaGui` Package ----------------------- .. automodule:: PyMca5.PyMcaGui :members: :undoc-members: :show-inheritance: :mod:`PyMcaQt` Module --------------------- .. automodule:: PyMca5.PyMcaGui.PyMcaQt :members: :undoc-members: :show-inheritance: Subpackages ----------- .. toctree:: PyMca5.PyMcaGui.io PyMca5.PyMcaGui.math PyMca5.PyMcaGui.misc PyMca5.PyMcaGui.physics PyMca5.PyMcaGui.plotting PyMca5.PyMcaGui.pymca PyMca5-5.2.2/doc/source/PyMca5.PyMcaMath.rst0000644000276300001750000000236013136054446020451 0ustar solebliss00000000000000PyMcaMath Package ================= :mod:`PyMcaMath` Package ------------------------ .. automodule:: PyMca5.PyMcaMath :members: :undoc-members: :show-inheritance: :mod:`ImageRegistration` Module ------------------------------- .. automodule:: PyMca5.PyMcaMath.ImageRegistration :members: :undoc-members: :show-inheritance: :mod:`SGModule` Module ---------------------- .. automodule:: PyMca5.PyMcaMath.SGModule :members: :undoc-members: :show-inheritance: :mod:`SNIPModule` Module ------------------------ .. automodule:: PyMca5.PyMcaMath.SNIPModule :members: :undoc-members: :show-inheritance: :mod:`SimpleMath` Module ------------------------ .. automodule:: PyMca5.PyMcaMath.SimpleMath :members: :undoc-members: :show-inheritance: :mod:`SpecArithmetic` Module ---------------------------- .. automodule:: PyMca5.PyMcaMath.SpecArithmetic :members: :undoc-members: :show-inheritance: :mod:`linalg` Module -------------------- .. automodule:: PyMca5.PyMcaMath.linalg :members: :undoc-members: :show-inheritance: Subpackages ----------- .. toctree:: PyMca5.PyMcaMath.PyMcaSciPy PyMca5.PyMcaMath.fitting PyMca5.PyMcaMath.mva PyMca5.PyMcaMath.sift PyMca5-5.2.2/doc/source/PyMca5.PyMcaGui.io.hdf5.rst0000644000276300001750000000200613136054446021534 0ustar solebliss00000000000000hdf5 Package ============ :mod:`HDF5CounterTable` Module ------------------------------ .. automodule:: PyMca5.PyMcaGui.io.hdf5.HDF5CounterTable :members: :undoc-members: :show-inheritance: :mod:`HDF5DatasetView` Module ------------------------------ .. automodule:: PyMca5.PyMcaGui.io.hdf5.HDF5DatasetView :members: :undoc-members: :show-inheritance: :mod:`HDF5Info` Module ---------------------- .. automodule:: PyMca5.PyMcaGui.io.hdf5.HDF5Info :members: :undoc-members: :show-inheritance: :mod:`HDF5Selection` Module --------------------------- .. automodule:: PyMca5.PyMcaGui.io.hdf5.HDF5Selection :members: :undoc-members: :show-inheritance: :mod:`HDF5Widget` Module ------------------------ .. automodule:: PyMca5.PyMcaGui.io.hdf5.HDF5Widget :members: :undoc-members: :show-inheritance: :mod:`QNexusWidget` Module -------------------------- .. automodule:: PyMca5.PyMcaGui.io.hdf5.QNexusWidget :members: :undoc-members: :show-inheritance: PyMca5-5.2.2/doc/source/PyMca5.PyMcaGui.misc.rst0000644000276300001750000000343613136054446021243 0ustar solebliss00000000000000misc Package ============ :mod:`CalculationThread` Module ------------------------------- .. automodule:: PyMca5.PyMcaGui.misc.CalculationThread :members: :undoc-members: :show-inheritance: :mod:`CalculationTimer` Module ------------------------------ .. automodule:: PyMca5.PyMcaGui.misc.CalculationTimer :members: :undoc-members: :show-inheritance: :mod:`CloseEventNotifyingWidget` Module --------------------------------------- .. automodule:: PyMca5.PyMcaGui.misc.CloseEventNotifyingWidget :members: :undoc-members: :show-inheritance: :mod:`DoubleSlider` Module -------------------------- .. automodule:: PyMca5.PyMcaGui.misc.DoubleSlider :members: :undoc-members: :show-inheritance: :mod:`FrameBrowser` Module -------------------------- .. automodule:: PyMca5.PyMcaGui.misc.FrameBrowser :members: :undoc-members: :show-inheritance: :mod:`NumpyArrayTableModel` Module ---------------------------------- .. automodule:: PyMca5.PyMcaGui.misc.NumpyArrayTableModel :members: :undoc-members: :show-inheritance: :mod:`NumpyArrayTableView` Module --------------------------------- .. automodule:: PyMca5.PyMcaGui.misc.NumpyArrayTableView :members: :undoc-members: :show-inheritance: :mod:`NumpyArrayTableWidget` Module ----------------------------------- .. automodule:: PyMca5.PyMcaGui.misc.NumpyArrayTableWidget :members: :undoc-members: :show-inheritance: :mod:`QIPythonWidget` Module ---------------------------- .. automodule:: PyMca5.PyMcaGui.misc.QIPythonWidget :members: :undoc-members: :show-inheritance: :mod:`SubprocessLogWidget` Module --------------------------------- .. automodule:: PyMca5.PyMcaGui.misc.SubprocessLogWidget :members: :undoc-members: :show-inheritance: PyMca5-5.2.2/doc/source/PyMca5.rst0000644000276300001750000000112713136054446016627 0ustar solebliss00000000000000PyMca5 Package ============== :mod:`PyMca5` Package --------------------- .. automodule:: PyMca5.__init__ :members: :undoc-members: :show-inheritance: :mod:`PyMcaDataDir` Module -------------------------- .. automodule:: PyMca5.PyMcaDataDir :members: :undoc-members: :show-inheritance: Subpackages ----------- .. toctree:: PyMca5.EPDL97 PyMca5.Object3D PyMca5.PyMca PyMca5.PyMcaCore PyMca5.PyMcaGraph PyMca5.PyMcaGui PyMca5.PyMcaIO PyMca5.PyMcaMath PyMca5.PyMcaMisc PyMca5.PyMcaPhysics PyMca5.PyMcaPlugins PyMca5.tests PyMca5-5.2.2/doc/source/PyMca5.Object3D.rst0000644000276300001750000001215413136054446020225 0ustar solebliss00000000000000Object3D Package ================ :mod:`Object3D` Package ----------------------- .. automodule:: PyMca5.Object3D :members: :undoc-members: :show-inheritance: :mod:`ClippingPlaneConfiguration` Module ---------------------------------------- .. automodule:: PyMca5.Object3D.ClippingPlaneConfiguration :members: :undoc-members: :show-inheritance: :mod:`GLToolBar` Module ----------------------- .. automodule:: PyMca5.Object3D.GLToolBar :members: :undoc-members: :show-inheritance: :mod:`GLWidgetCachePixmap` Module --------------------------------- .. automodule:: PyMca5.Object3D.GLWidgetCachePixmap :members: :undoc-members: :show-inheritance: :mod:`HorizontalSpacer` Module ------------------------------ .. automodule:: PyMca5.Object3D.HorizontalSpacer :members: :undoc-members: :show-inheritance: :mod:`Object3DBase` Module -------------------------- .. automodule:: PyMca5.Object3D.Object3DBase :members: :undoc-members: :show-inheritance: :mod:`Object3DColormap` Module ------------------------------ .. automodule:: PyMca5.Object3D.Object3DColormap :members: :undoc-members: :show-inheritance: :mod:`Object3DConfig` Module ---------------------------- .. automodule:: PyMca5.Object3D.Object3DConfig :members: :undoc-members: :show-inheritance: :mod:`Object3DCoordinates` Module --------------------------------- .. automodule:: PyMca5.Object3D.Object3DCoordinates :members: :undoc-members: :show-inheritance: :mod:`Object3DDirs` Module -------------------------- .. automodule:: PyMca5.Object3D.Object3DDirs :members: :undoc-members: :show-inheritance: :mod:`Object3DFileDialogs` Module --------------------------------- .. automodule:: PyMca5.Object3D.Object3DFileDialogs :members: :undoc-members: :show-inheritance: :mod:`Object3DIcons` Module --------------------------- .. automodule:: PyMca5.Object3D.Object3DIcons :members: :undoc-members: :show-inheritance: :mod:`Object3DMovement` Module ------------------------------ .. automodule:: PyMca5.Object3D.Object3DMovement :members: :undoc-members: :show-inheritance: :mod:`Object3DPrintPreview` Module ---------------------------------- .. automodule:: PyMca5.Object3D.Object3DPrintPreview :members: :undoc-members: :show-inheritance: :mod:`Object3DPrivateConfig` Module ----------------------------------- .. automodule:: PyMca5.Object3D.Object3DPrivateConfig :members: :undoc-members: :show-inheritance: :mod:`Object3DProperties` Module -------------------------------- .. automodule:: PyMca5.Object3D.Object3DProperties :members: :undoc-members: :show-inheritance: :mod:`Object3DQt` Module ------------------------ .. automodule:: PyMca5.Object3D.Object3DQt :members: :undoc-members: :show-inheritance: :mod:`Object3DRedBookFont` Module --------------------------------- .. automodule:: PyMca5.Object3D.Object3DRedBookFont :members: :undoc-members: :show-inheritance: :mod:`Object3DScene` Module --------------------------- .. automodule:: PyMca5.Object3D.Object3DScene :members: :undoc-members: :show-inheritance: :mod:`Object3DSlider` Module ---------------------------- .. automodule:: PyMca5.Object3D.Object3DSlider :members: :undoc-members: :show-inheritance: :mod:`ObjectTree` Module ------------------------ .. automodule:: PyMca5.Object3D.ObjectTree :members: :undoc-members: :show-inheritance: :mod:`PrivateConfigTools` Module -------------------------------- .. automodule:: PyMca5.Object3D.PrivateConfigTools :members: :undoc-members: :show-inheritance: :mod:`Scene` Module ------------------- .. automodule:: PyMca5.Object3D.Scene :members: :undoc-members: :show-inheritance: :mod:`SceneControl` Module -------------------------- .. automodule:: PyMca5.Object3D.SceneControl :members: :undoc-members: :show-inheritance: :mod:`SceneCoordinates` Module ------------------------------ .. automodule:: PyMca5.Object3D.SceneCoordinates :members: :undoc-members: :show-inheritance: :mod:`SceneGLWidget` Module --------------------------- .. automodule:: PyMca5.Object3D.SceneGLWidget :members: :undoc-members: :show-inheritance: :mod:`SceneGLWindow` Module --------------------------- .. automodule:: PyMca5.Object3D.SceneGLWindow :members: :undoc-members: :show-inheritance: :mod:`SceneManager` Module -------------------------- .. automodule:: PyMca5.Object3D.SceneManager :members: :undoc-members: :show-inheritance: :mod:`SceneTree` Module ----------------------- .. automodule:: PyMca5.Object3D.SceneTree :members: :undoc-members: :show-inheritance: :mod:`SceneWidget` Module ------------------------- .. automodule:: PyMca5.Object3D.SceneWidget :members: :undoc-members: :show-inheritance: :mod:`VerticalSpacer` Module ---------------------------- .. automodule:: PyMca5.Object3D.VerticalSpacer :members: :undoc-members: :show-inheritance: Subpackages ----------- .. toctree:: PyMca5.Object3D.Object3DPlugins PyMca5-5.2.2/doc/source/PyMca5.EPDL97.rst0000644000276300001750000000353013136054446017532 0ustar solebliss00000000000000EPDL97 Package ============== :mod:`EPDL97` Package --------------------- .. automodule:: PyMca5.EPDL97 :members: :undoc-members: :show-inheritance: :mod:`EADLParser` Module ------------------------ .. automodule:: PyMca5.EPDL97.EADLParser :members: :undoc-members: :show-inheritance: :mod:`EADLSubshells` Module --------------------------- .. automodule:: PyMca5.EPDL97.EADLSubshells :members: :undoc-members: :show-inheritance: :mod:`EPDL97Parser` Module -------------------------- .. automodule:: PyMca5.EPDL97.EPDL97Parser :members: :undoc-members: :show-inheritance: :mod:`GenerateEADLBindingEnergies` Module ----------------------------------------- .. automodule:: PyMca5.EPDL97.GenerateEADLBindingEnergies :members: :undoc-members: :show-inheritance: :mod:`GenerateEADLShellConstants` Module ---------------------------------------- .. automodule:: PyMca5.EPDL97.GenerateEADLShellConstants :members: :undoc-members: :show-inheritance: :mod:`GenerateEADLShellNonradiativeRates` Module ------------------------------------------------ .. automodule:: PyMca5.EPDL97.GenerateEADLShellNonradiativeRates :members: :undoc-members: :show-inheritance: :mod:`GenerateEADLShellRadiativeRates` Module --------------------------------------------- .. automodule:: PyMca5.EPDL97.GenerateEADLShellRadiativeRates :members: :undoc-members: :show-inheritance: :mod:`GenerateEPDL97CrossSections` Module ----------------------------------------- .. automodule:: PyMca5.EPDL97.GenerateEPDL97CrossSections :members: :undoc-members: :show-inheritance: :mod:`GenerateEPDL97TotalCrossSections` Module ---------------------------------------------- .. automodule:: PyMca5.EPDL97.GenerateEPDL97TotalCrossSections :members: :undoc-members: :show-inheritance: PyMca5-5.2.2/doc/source/PyMca5.PyMcaCore.rst0000644000276300001750000000601513136054446020451 0ustar solebliss00000000000000PyMcaCore Package ================= :mod:`DataObject` Module ------------------------ .. automodule:: PyMca5.PyMcaCore.DataObject :members: :undoc-members: :show-inheritance: :mod:`EdfFileDataSource` Module ------------------------------- .. automodule:: PyMca5.PyMcaCore.EdfFileDataSource :members: :undoc-members: :show-inheritance: :mod:`EdfFileLayer` Module -------------------------- .. automodule:: PyMca5.PyMcaCore.EdfFileLayer :members: :undoc-members: :show-inheritance: :mod:`EventHandler` Module -------------------------- .. automodule:: PyMca5.PyMcaCore.EventHandler :members: :undoc-members: :show-inheritance: :mod:`HtmlIndex` Module ----------------------- .. automodule:: PyMca5.PyMcaCore.HtmlIndex :members: :undoc-members: :show-inheritance: :mod:`NexusDataSource` Module ----------------------------- .. automodule:: PyMca5.PyMcaCore.NexusDataSource :members: :undoc-members: :show-inheritance: :mod:`Plugin1DBase` Module -------------------------- .. automodule:: PyMca5.PyMcaCore.Plugin1DBase :members: :undoc-members: :show-inheritance: :mod:`PyMcaBatchBuildOutput` Module ----------------------------------- .. automodule:: PyMca5.PyMcaCore.PyMcaBatchBuildOutput :members: :undoc-members: :show-inheritance: :mod:`PyMcaDirs` Module ----------------------- .. automodule:: PyMca5.PyMcaCore.PyMcaDirs :members: :undoc-members: :show-inheritance: :mod:`PyMcaLogo` Module ----------------------- .. automodule:: PyMca5.PyMcaCore.PyMcaLogo :members: :undoc-members: :show-inheritance: :mod:`PyMcaMatplotlibSave` Module --------------------------------- .. automodule:: PyMca5.PyMcaCore.PyMcaMatplotlibSave :members: :undoc-members: :show-inheritance: :mod:`SPSLayer` Module ---------------------- .. automodule:: PyMca5.PyMcaCore.SPSLayer :members: :undoc-members: :show-inheritance: :mod:`SpecFileDataSource` Module -------------------------------- .. automodule:: PyMca5.PyMcaCore.SpecFileDataSource :members: :undoc-members: :show-inheritance: :mod:`SpecFileLayer` Module --------------------------- .. automodule:: PyMca5.PyMcaCore.SpecFileLayer :members: :undoc-members: :show-inheritance: :mod:`SpsDataSource` Module --------------------------- .. automodule:: PyMca5.PyMcaCore.SpsDataSource :members: :undoc-members: :show-inheritance: :mod:`StackBase` Module ----------------------- .. automodule:: PyMca5.PyMcaCore.StackBase :members: :undoc-members: :show-inheritance: :mod:`StackPluginBase` Module ----------------------------- .. automodule:: PyMca5.PyMcaCore.StackPluginBase :members: :undoc-members: :show-inheritance: :mod:`XiaCorrect` Module ------------------------ .. automodule:: PyMca5.PyMcaCore.XiaCorrect :members: :undoc-members: :show-inheritance: :mod:`XiaEdf` Module -------------------- .. automodule:: PyMca5.PyMcaCore.XiaEdf :members: :undoc-members: :show-inheritance: PyMca5-5.2.2/doc/source/PyMca5.PyMcaMath.PyMcaSciPy.signal.rst0000644000276300001750000000053013136054446023702 0ustar solebliss00000000000000signal Package ============== :mod:`signal` Package --------------------- .. automodule:: PyMca5.PyMcaMath.PyMcaSciPy.signal :members: :undoc-members: :show-inheritance: :mod:`median` Module -------------------- .. automodule:: PyMca5.PyMcaMath.PyMcaSciPy.signal.median :members: :undoc-members: :show-inheritance: PyMca5-5.2.2/doc/source/PyMca5.PyMcaGraph.ctools.rst0000644000276300001750000000025713136054446022126 0ustar solebliss00000000000000ctools Package ============== :mod:`ctools` Package --------------------- .. automodule:: PyMca5.PyMcaGraph.ctools :members: :undoc-members: :show-inheritance: PyMca5-5.2.2/doc/source/PyMca5.PyMcaMisc.rst0000644000276300001750000000031213136054446020446 0ustar solebliss00000000000000PyMcaMisc Package ================= :mod:`PhysicalMemory` Module ---------------------------- .. automodule:: PyMca5.PyMcaMisc.PhysicalMemory :members: :undoc-members: :show-inheritance: PyMca5-5.2.2/doc/source/PyMca5.PyMcaGui.physics.xrf.rst0000644000276300001750000000717213136054446022571 0ustar solebliss00000000000000xrf Package =========== :mod:`AttenuatorsTable` Module ------------------------------ .. automodule:: PyMca5.PyMcaGui.physics.xrf.AttenuatorsTable :members: :undoc-members: :show-inheritance: :mod:`ConcentrationsWidget` Module ---------------------------------- .. automodule:: PyMca5.PyMcaGui.physics.xrf.ConcentrationsWidget :members: :undoc-members: :show-inheritance: :mod:`ElementsInfo` Module -------------------------- .. automodule:: PyMca5.PyMcaGui.physics.xrf.ElementsInfo :members: :undoc-members: :show-inheritance: :mod:`EnergyTable` Module ------------------------- .. automodule:: PyMca5.PyMcaGui.physics.xrf.EnergyTable :members: :undoc-members: :show-inheritance: :mod:`FastXRFLinearFitWindow` Module ------------------------------------ .. automodule:: PyMca5.PyMcaGui.physics.xrf.FastXRFLinearFitWindow :members: :undoc-members: :show-inheritance: :mod:`FitParam` Module ---------------------- .. automodule:: PyMca5.PyMcaGui.physics.xrf.FitParam :members: :undoc-members: :show-inheritance: :mod:`FitParamForm` Module -------------------------- .. automodule:: PyMca5.PyMcaGui.physics.xrf.FitParamForm :members: :undoc-members: :show-inheritance: :mod:`FitPeakSelect` Module --------------------------- .. automodule:: PyMca5.PyMcaGui.physics.xrf.FitPeakSelect :members: :undoc-members: :show-inheritance: :mod:`MaterialEditor` Module ---------------------------- .. automodule:: PyMca5.PyMcaGui.physics.xrf.MaterialEditor :members: :undoc-members: :show-inheritance: :mod:`MatrixEditor` Module -------------------------- .. automodule:: PyMca5.PyMcaGui.physics.xrf.MatrixEditor :members: :undoc-members: :show-inheritance: :mod:`MatrixImage` Module ------------------------- .. automodule:: PyMca5.PyMcaGui.physics.xrf.MatrixImage :members: :undoc-members: :show-inheritance: :mod:`McaAdvancedFit` Module ---------------------------- .. automodule:: PyMca5.PyMcaGui.physics.xrf.McaAdvancedFit :members: :undoc-members: :show-inheritance: :mod:`McaAdvancedTable` Module ------------------------------ .. automodule:: PyMca5.PyMcaGui.physics.xrf.McaAdvancedTable :members: :undoc-members: :show-inheritance: :mod:`McaCalWidget` Module -------------------------- .. automodule:: PyMca5.PyMcaGui.physics.xrf.McaCalWidget :members: :undoc-members: :show-inheritance: :mod:`PeakIdentifier` Module ---------------------------- .. automodule:: PyMca5.PyMcaGui.physics.xrf.PeakIdentifier :members: :undoc-members: :show-inheritance: :mod:`PeakTableWidget` Module ----------------------------- .. automodule:: PyMca5.PyMcaGui.physics.xrf.PeakTableWidget :members: :undoc-members: :show-inheritance: :mod:`QPeriodicTable` Module ---------------------------- .. automodule:: PyMca5.PyMcaGui.physics.xrf.QPeriodicTable :members: :undoc-members: :show-inheritance: :mod:`QXTube` Module -------------------- .. automodule:: PyMca5.PyMcaGui.physics.xrf.QXTube :members: :undoc-members: :show-inheritance: :mod:`QtMcaAdvancedFitReport` Module ------------------------------------ .. automodule:: PyMca5.PyMcaGui.physics.xrf.QtMcaAdvancedFitReport :members: :undoc-members: :show-inheritance: :mod:`StrategyHandler` Module ----------------------------- .. automodule:: PyMca5.PyMcaGui.physics.xrf.StrategyHandler :members: :undoc-members: :show-inheritance: :mod:`XRFMCPyMca` Module ------------------------ .. automodule:: PyMca5.PyMcaGui.physics.xrf.XRFMCPyMca :members: :undoc-members: :show-inheritance: PyMca5-5.2.2/doc/source/PyMca5.PyMcaGui.io.rst0000644000276300001750000000304413136054446020712 0ustar solebliss00000000000000io Package ========== :mod:`io` Package ----------------- .. automodule:: PyMca5.PyMcaGui.io :members: :undoc-members: :show-inheritance: :mod:`QEdfFileWidget` Module ---------------------------- .. automodule:: PyMca5.PyMcaGui.io.QEdfFileWidget :members: :undoc-members: :show-inheritance: :mod:`QSelectorWidget` Module ----------------------------- .. automodule:: PyMca5.PyMcaGui.io.QSelectorWidget :members: :undoc-members: :show-inheritance: :mod:`QSourceSelector` Module ----------------------------- .. automodule:: PyMca5.PyMcaGui.io.QSourceSelector :members: :undoc-members: :show-inheritance: :mod:`QSpecFileWidget` Module ----------------------------- .. automodule:: PyMca5.PyMcaGui.io.QSpecFileWidget :members: :undoc-members: :show-inheritance: :mod:`QSpsWidget` Module ------------------------ .. automodule:: PyMca5.PyMcaGui.io.QSpsWidget :members: :undoc-members: :show-inheritance: :mod:`SpecFileCntTable` Module ------------------------------ .. automodule:: PyMca5.PyMcaGui.io.SpecFileCntTable :members: :undoc-members: :show-inheritance: :mod:`SpecFileDataInfo` Module ------------------------------ .. automodule:: PyMca5.PyMcaGui.io.SpecFileDataInfo :members: :undoc-members: :show-inheritance: :mod:`SpecFileMcaTable` Module ------------------------------ .. automodule:: PyMca5.PyMcaGui.io.SpecFileMcaTable :members: :undoc-members: :show-inheritance: Subpackages ----------- .. toctree:: PyMca5.PyMcaGui.io.hdf5 PyMca5-5.2.2/doc/source/PyMca5.PyMcaGraph.rst0000644000276300001750000000151113136054446020616 0ustar solebliss00000000000000PyMcaGraph Package ================== .. automodule:: PyMca5.PyMcaGraph.__init__ :members: :undoc-members: :show-inheritance: :mod:`Plot` Module ------------------ .. automodule:: PyMca5.PyMcaGraph.Plot :members: :undoc-members: :show-inheritance: :mod:`PlotBackend` Module ------------------------- .. automodule:: PyMca5.PyMcaGraph.PlotBackend :members: :undoc-members: :show-inheritance: :mod:`PlotBase` Module ---------------------- .. automodule:: PyMca5.PyMcaGraph.PlotBase :members: :undoc-members: :show-inheritance: :mod:`PluginLoader` Module -------------------------- .. automodule:: PyMca5.PyMcaGraph.PluginLoader :members: :undoc-members: :show-inheritance: Subpackages ----------- .. toctree:: PyMca5.PyMcaGraph.backends PyMca5.PyMcaGraph.ctools PyMca5-5.2.2/doc/source/PyMca5.PyMcaMath.mva.py_nnma.rst0000644000276300001750000000051313136054446022671 0ustar solebliss00000000000000py_nnma Package =============== :mod:`py_nnma` Package ---------------------- .. automodule:: PyMca5.PyMcaMath.mva.py_nnma :members: :undoc-members: :show-inheritance: :mod:`nnma` Module ------------------ .. automodule:: PyMca5.PyMcaMath.mva.py_nnma.nnma :members: :undoc-members: :show-inheritance: PyMca5-5.2.2/doc/source/PyMca5.PyMcaPhysics.xrf.rst0000644000276300001750000000641113136054446022001 0ustar solebliss00000000000000xrf Package =========== :mod:`BindingEnergies` Module ----------------------------- .. automodule:: PyMca5.PyMcaPhysics.xrf.BindingEnergies :members: :undoc-members: :show-inheritance: :mod:`ClassMcaTheory` Module ---------------------------- .. automodule:: PyMca5.PyMcaPhysics.xrf.ClassMcaTheory :members: :undoc-members: :show-inheritance: :mod:`CoherentScattering` Module -------------------------------- .. automodule:: PyMca5.PyMcaPhysics.xrf.CoherentScattering :members: :undoc-members: :show-inheritance: :mod:`ConcentrationsTool` Module -------------------------------- .. automodule:: PyMca5.PyMcaPhysics.xrf.ConcentrationsTool :members: :undoc-members: :show-inheritance: :mod:`ElementHtml` Module ------------------------- .. automodule:: PyMca5.PyMcaPhysics.xrf.ElementHtml :members: :undoc-members: :show-inheritance: :mod:`Elements` Module ---------------------- .. automodule:: PyMca5.PyMcaPhysics.xrf.Elements :members: :undoc-members: :show-inheritance: :mod:`FastXRFLinearFit` Module ------------------------------ .. automodule:: PyMca5.PyMcaPhysics.xrf.FastXRFLinearFit :members: :undoc-members: :show-inheritance: :mod:`FisxHelper` Module ------------------------ .. automodule:: PyMca5.PyMcaPhysics.xrf.FisxHelper :members: :undoc-members: :show-inheritance: :mod:`GenerateXCOMCrossSections` Module --------------------------------------- .. automodule:: PyMca5.PyMcaPhysics.xrf.GenerateXCOMCrossSections :members: :undoc-members: :show-inheritance: :mod:`IncoherentScattering` Module ---------------------------------- .. automodule:: PyMca5.PyMcaPhysics.xrf.IncoherentScattering :members: :undoc-members: :show-inheritance: :mod:`KShell` Module -------------------- .. automodule:: PyMca5.PyMcaPhysics.xrf.KShell :members: :undoc-members: :show-inheritance: :mod:`LShell` Module -------------------- .. automodule:: PyMca5.PyMcaPhysics.xrf.LShell :members: :undoc-members: :show-inheritance: :mod:`MShell` Module -------------------- .. automodule:: PyMca5.PyMcaPhysics.xrf.MShell :members: :undoc-members: :show-inheritance: :mod:`McaAdvancedFitBatch` Module --------------------------------- .. automodule:: PyMca5.PyMcaPhysics.xrf.McaAdvancedFitBatch :members: :undoc-members: :show-inheritance: :mod:`PyMcaEPDL97` Module ------------------------- .. automodule:: PyMca5.PyMcaPhysics.xrf.PyMcaEPDL97 :members: :undoc-members: :show-inheritance: :mod:`Scofield1973` Module -------------------------- .. automodule:: PyMca5.PyMcaPhysics.xrf.Scofield1973 :members: :undoc-members: :show-inheritance: :mod:`SingleLayerStrategy` Module --------------------------------- .. automodule:: PyMca5.PyMcaPhysics.xrf.SingleLayerStrategy :members: :undoc-members: :show-inheritance: :mod:`Strategies` Module ------------------------ .. automodule:: PyMca5.PyMcaPhysics.xrf.Strategies :members: :undoc-members: :show-inheritance: :mod:`XRayTubeEbel` Module -------------------------- .. automodule:: PyMca5.PyMcaPhysics.xrf.XRayTubeEbel :members: :undoc-members: :show-inheritance: Subpackages ----------- .. toctree:: PyMca5.PyMcaPhysics.xrf.XRFMC PyMca5-5.2.2/doc/source/PyMca5.PyMcaMath.mva.rst0000644000276300001750000000130413136054446021230 0ustar solebliss00000000000000mva Package =========== :mod:`Lanczos` Module --------------------- .. automodule:: PyMca5.PyMcaMath.mva.Lanczos :members: :undoc-members: :show-inheritance: :mod:`NNMAModule` Module ------------------------ .. automodule:: PyMca5.PyMcaMath.mva.NNMAModule :members: :undoc-members: :show-inheritance: :mod:`PCAModule` Module ----------------------- .. automodule:: PyMca5.PyMcaMath.mva.PCAModule :members: :undoc-members: :show-inheritance: :mod:`PCATools` Module ---------------------- .. automodule:: PyMca5.PyMcaMath.mva.PCATools :members: :undoc-members: :show-inheritance: Subpackages ----------- .. toctree:: PyMca5.PyMcaMath.mva.py_nnma PyMca5-5.2.2/doc/source/PyMca5.PyMcaPlugins.rst0000644000276300001750000001445613136054446021212 0ustar solebliss00000000000000PyMcaPlugins Package ==================== :mod:`PyMcaPlugins` Package --------------------------- .. automodule:: PyMca5.PyMcaPlugins :members: :undoc-members: :show-inheritance: :mod:`AdvancedAlignmentScanPlugin` Module ----------------------------------------- .. automodule:: PyMca5.PyMcaPlugins.AdvancedAlignmentScanPlugin :members: :undoc-members: :show-inheritance: :mod:`AlignmentScanPlugin` Module --------------------------------- .. automodule:: PyMca5.PyMcaPlugins.AlignmentScanPlugin :members: :undoc-members: :show-inheritance: :mod:`BackgroundScanPlugin` Module ---------------------------------- .. automodule:: PyMca5.PyMcaPlugins.BackgroundScanPlugin :members: :undoc-members: :show-inheritance: :mod:`BackgroundStackPlugin` Module ----------------------------------- .. automodule:: PyMca5.PyMcaPlugins.BackgroundStackPlugin :members: :undoc-members: :show-inheritance: :mod:`CalculationThread` Module ------------------------------- .. automodule:: PyMca5.PyMcaPlugins.CalculationThread :members: :undoc-members: :show-inheritance: :mod:`ConsolePlugin` Module --------------------------- .. automodule:: PyMca5.PyMcaPlugins.ConsolePlugin :members: :undoc-members: :show-inheritance: :mod:`ConsoleStackPlugin` Module -------------------------------- .. automodule:: PyMca5.PyMcaPlugins.ConsoleStackPlugin :members: :undoc-members: :show-inheritance: :mod:`ExternalImagesStackPlugin` Module --------------------------------------- .. automodule:: PyMca5.PyMcaPlugins.ExternalImagesStackPlugin :members: :undoc-members: :show-inheritance: :mod:`FastXRFLinearFitStackPlugin` Module ----------------------------------------- .. automodule:: PyMca5.PyMcaPlugins.FastXRFLinearFitStackPlugin :members: :undoc-members: :show-inheritance: :mod:`FitStackPlugin` Module ---------------------------- .. automodule:: PyMca5.PyMcaPlugins.FitStackPlugin :members: :undoc-members: :show-inheritance: :mod:`ImageAlignmentStackPlugin` Module --------------------------------------- .. automodule:: PyMca5.PyMcaPlugins.ImageAlignmentStackPlugin :members: :undoc-members: :show-inheritance: :mod:`MathPlugins` Module ------------------------- .. automodule:: PyMca5.PyMcaPlugins.MathPlugins :members: :undoc-members: :show-inheritance: :mod:`MedianFilterScanDeglitchPlugin` Module -------------------------------------------- .. automodule:: PyMca5.PyMcaPlugins.MedianFilterScanDeglitchPlugin :members: :undoc-members: :show-inheritance: :mod:`MedianFilterScanPlugin` Module ------------------------------------ .. automodule:: PyMca5.PyMcaPlugins.MedianFilterScanPlugin :members: :undoc-members: :show-inheritance: :mod:`MedianFilterStackPlugin` Module ------------------------------------- .. automodule:: PyMca5.PyMcaPlugins.MedianFilterStackPlugin :members: :undoc-members: :show-inheritance: :mod:`MotorInfoPlugin` Module ----------------------------- .. automodule:: PyMca5.PyMcaPlugins.MotorInfoPlugin :members: :undoc-members: :show-inheritance: :mod:`MotorInfoWindow` Module ----------------------------- .. automodule:: PyMca5.PyMcaPlugins.MotorInfoWindow :members: :undoc-members: :show-inheritance: :mod:`MultipleScanToMeshPlugin` Module -------------------------------------- .. automodule:: PyMca5.PyMcaPlugins.MultipleScanToMeshPlugin :members: :undoc-members: :show-inheritance: :mod:`NNMAStackPlugin` Module ----------------------------- .. automodule:: PyMca5.PyMcaPlugins.NNMAStackPlugin :members: :undoc-members: :show-inheritance: :mod:`NormalizationPlugins` Module ---------------------------------- .. automodule:: PyMca5.PyMcaPlugins.NormalizationPlugins :members: :undoc-members: :show-inheritance: :mod:`PCAStackPlugin` Module ---------------------------- .. automodule:: PyMca5.PyMcaPlugins.PCAStackPlugin :members: :undoc-members: :show-inheritance: :mod:`Plugin1DBase` Module -------------------------- .. automodule:: PyMca5.PyMcaPlugins.Plugin1DBase :members: :undoc-members: :show-inheritance: :mod:`ROIStackPlugin` Module ---------------------------- .. automodule:: PyMca5.PyMcaPlugins.ROIStackPlugin :members: :undoc-members: :show-inheritance: :mod:`RegularMeshPlugin` Module ------------------------------- .. automodule:: PyMca5.PyMcaPlugins.RegularMeshPlugin :members: :undoc-members: :show-inheritance: :mod:`ReverseStackPlugin` Module -------------------------------- .. automodule:: PyMca5.PyMcaPlugins.ReverseStackPlugin :members: :undoc-members: :show-inheritance: :mod:`StackAxesPlugin` Module ----------------------------- .. automodule:: PyMca5.PyMcaPlugins.StackAxesPlugin :members: :undoc-members: :show-inheritance: :mod:`StackBrowserPlugin` Module -------------------------------- .. automodule:: PyMca5.PyMcaPlugins.StackBrowserPlugin :members: :undoc-members: :show-inheritance: :mod:`StackNormalizationPlugin` Module -------------------------------------- .. automodule:: PyMca5.PyMcaPlugins.StackNormalizationPlugin :members: :undoc-members: :show-inheritance: :mod:`StackPluginBase` Module ----------------------------- .. automodule:: PyMca5.PyMcaPlugins.StackPluginBase :members: :undoc-members: :show-inheritance: :mod:`StackScanWindowPlugin` Module ----------------------------------- .. automodule:: PyMca5.PyMcaPlugins.StackScanWindowPlugin :members: :undoc-members: :show-inheritance: :mod:`XASScanNormalizationPlugin` Module ---------------------------------------- .. automodule:: PyMca5.PyMcaPlugins.XASScanNormalizationPlugin :members: :undoc-members: :show-inheritance: :mod:`XASSelfattenuationPlugin` Module -------------------------------------- .. automodule:: PyMca5.PyMcaPlugins.XASSelfattenuationPlugin :members: :undoc-members: :show-inheritance: :mod:`XASStackNormalizationPlugin` Module ----------------------------------------- .. automodule:: PyMca5.PyMcaPlugins.XASStackNormalizationPlugin :members: :undoc-members: :show-inheritance: :mod:`XMCDPlugin` Module ------------------------ .. automodule:: PyMca5.PyMcaPlugins.XMCDPlugin :members: :undoc-members: :show-inheritance: PyMca5-5.2.2/doc/source/PyMca5.PyMcaPhysics.xas.rst0000644000276300001750000000064113136054446021774 0ustar solebliss00000000000000xas Package =========== :mod:`XASNormalization` Module ------------------------------ .. automodule:: PyMca5.PyMcaPhysics.xas.XASNormalization :members: :undoc-members: :show-inheritance: :mod:`XASSelfattenuationCorrection` Module ------------------------------------------ .. automodule:: PyMca5.PyMcaPhysics.xas.XASSelfattenuationCorrection :members: :undoc-members: :show-inheritance: PyMca5-5.2.2/doc/source/PyMca5.PyMcaPhysics.xrf.XRFMC.rst0000644000276300001750000000055413136054446022661 0ustar solebliss00000000000000XRFMC Package ============= :mod:`XMSOParser` Module ------------------------ .. automodule:: PyMca5.PyMcaPhysics.xrf.XRFMC.XMSOParser :members: :undoc-members: :show-inheritance: :mod:`XRFMCHelper` Module ------------------------- .. automodule:: PyMca5.PyMcaPhysics.xrf.XRFMC.XRFMCHelper :members: :undoc-members: :show-inheritance: PyMca5-5.2.2/build-deb.sh0000755000276300001750000001452413203352103015107 0ustar solebliss00000000000000#!/bin/sh # # Debian packaging for python projects with a silx-like structure # # Copyright (C) 2015-2017 European Synchrotron Radiation Facility, Grenoble, France # # Principal author: Jérôme Kieffer (Jerome.Kieffer@ESRF.eu) # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE # Script that builds a debian package from this library project=PyMca5 source_project=pymca version=$(python -c"import version; print(version.version)") strictversion=$(python -c"import version; print(version.strictversion)") debianversion=$(python -c"import version; print(version.debianversion)") deb_name=$(echo "$source_project" | tr '[:upper:]' '[:lower:]') # target system debian_version=$(grep -o '[0-9]*' /etc/issue) target_system=debian${debian_version} project_directory="`dirname \"$0\"`" project_directory="`( cd \"$project_directory\" && pwd )`" # absolutized dist_directory=${project_directory}/dist/${target_system} build_directory=${project_directory}/build/${target_system} if [ -d /usr/lib/ccache ]; then export PATH=/usr/lib/ccache:$PATH fi usage="usage: $(basename "$0") [options] Build the Debian ${debian_version} package of the ${project} library. If the build succeed the directory dist/debian${debian_version} will contains the packages. optional arguments: --help show this help text --install install the packages generated at the end of the process using 'sudo dpkg' --debian7 Simulate a debian7 system (fail-safe) --debian8 Simulate a debian 8 Jessie system --debian9 Simulate a debian 9 Stretch system " install=0 use_python3=0 #used only for stdeb while : do case "$1" in -h | --help) echo "$usage" exit 0 ;; --install) install=1 shift ;; --python3) use_python3=1 shift ;; --debian7) debian_version=7 shift ;; --debian8) debian_version=8 shift ;; --debian9) debian_version=9 shift ;; -*) echo "Error: Unknown option: $1" >&2 echo "$usage" exit 1 ;; *) # No more options break ;; esac done clean_up() { echo "Clean working dir:" # clean up previous build rm -rf ${build_directory} # create the build context mkdir -p ${build_directory} } build_deb_8_plus () { echo "Build for debian 8 or newer using actual packaging" tarname=${project}_${debianversion}.orig.tar.gz clean_up python setup.py debian_src cp -f dist/${tarname} ${build_directory} if [ -f dist/${project}-testimages.tar.gz ] then cp -f dist/${project}-testimages.tar.gz ${build_directory} fi cd ${build_directory} tar -xzf ${tarname} directory=${project}-${strictversion} newname=${deb_name}_${debianversion}.orig.tar.gz #echo tarname $tarname newname $newname if [ $tarname != $newname ] then if [ -h $newname ] then rm ${newname} fi ln -s ${tarname} ${newname} fi if [ -f ${project}-testimages.tar.gz ] then if [ ! -h ${deb_name}_${debianversion}.orig-testimages.tar.gz ] then ln -s ${project}-testimages.tar.gz ${deb_name}_${debianversion}.orig-testimages.tar.gz fi fi cd ${directory} cp -r ${project_directory}/package/${target_system} debian cp ${project_directory}/copyright debian #handle test images if [ -f ../${deb_name}_${debianversion}.orig-testimages.tar.gz ] then if [ ! -d testimages ] then mkdir testimages fi cd testimages tar -xzf ../${deb_name}_${debianversion}.orig-testimages.tar.gz cd .. else # Disable to skip tests during build echo No test data #export PYBUILD_DISABLE_python2=test #export PYBUILD_DISABLE_python3=test #export DEB_BUILD_OPTIONS=nocheck fi dch -v ${debianversion}-1 "upstream development build of ${project} ${version}" dch --bpo "${project} snapshot ${version} built for ${target_system}" dpkg-buildpackage -r rc=$? if [ $rc -eq 0 ]; then # move packages to dist directory echo Build succeeded... rm -rf ${dist_directory} mkdir -p ${dist_directory} mv ${build_directory}/*.deb ${dist_directory} mv ${build_directory}/*.x* ${dist_directory} mv ${build_directory}/*.dsc ${dist_directory} mv ${build_directory}/*.changes ${dist_directory} cd ../../.. else echo Build failed, please investigate ... exit "$rc" fi } build_deb_7_minus () { echo "Build for debian 7 or older using stdeb" tarname=${project}-${strictversion}.tar.gz clean_up python setup.py sdist cp -f dist/${tarname} ${build_directory} cd ${build_directory} tar -xzf ${tarname} cd ${project}-${strictversion} if [ $use_python3 = 1 ] then echo Using Python 2+3 python3 setup.py --command-packages=stdeb.command sdist_dsc --with-python2=True --with-python3=True --no-python3-scripts=True build --no-cython bdist_deb rc=$? else echo Using Python 2 # bdist_deb feed /usr/bin using setup.py entry-points python setup.py --command-packages=stdeb.command build --no-cython bdist_deb rc=$? fi # move packages to dist directory rm -rf ${dist_directory} mkdir -p ${dist_directory} mv -f deb_dist/*.deb ${dist_directory} # back to the root cd ../../.. } if [ $debian_version -ge 8 ] then build_deb_8_plus else build_deb_7_minus fi if [ $install -eq 1 ]; then sudo -v su -c "dpkg -i ${dist_directory}/*.deb" fi exit "$rc" PyMca5-5.2.2/package/0000755000276300001750000000000013205526235014321 5ustar solebliss00000000000000PyMca5-5.2.2/package/debian8/0000755000276300001750000000000013205526235015633 5ustar solebliss00000000000000PyMca5-5.2.2/package/debian8/watch0000644000276300001750000000027213203352103016652 0ustar solebliss00000000000000version=3 opts=repacksuffix=+dfsg,\ uversionmangle=s/(rc|a|b|c)/~$1/,\ dversionmangle=s/\+dfsg// \ https://pypi.debian.net/PyMca5/PyMca5-(.+)\.(?:zip|tgz|tbz|txz|(?:tar\.(?:gz|bz2|xz))) PyMca5-5.2.2/package/debian8/control0000644000276300001750000001760213203352103017231 0ustar solebliss00000000000000Source: pymca Maintainer: Debian Science Maintainers Uploaders: Teemu Ikonen , Picca Frédéric-Emmanuel Section: science Testsuite: autopkgtest Priority: extra Build-Depends: cython, cython-dbg, cython3, cython3-dbg, dh-python, debhelper (>= 9), libglu1-mesa-dev, libqhull-dev, python-all-dbg, python-all-dev, python-numpy, python-numpy-dbg, python-setuptools, python-sphinx, python3-all-dbg, python3-all-dev, python3-numpy, python3-numpy-dbg, python3-setuptools, python3-sphinx, Standards-Version: 3.9.8 Vcs-Browser: https://anonscm.debian.org/cgit/debian-science/packages/pymca.git Vcs-Git: https://anonscm.debian.org/git/debian-science/packages/pymca.git Homepage: https://github.com/vasole/pymca Package: pymca Architecture: all Depends: python-pymca5 (>= ${source:Version}), ${misc:Depends}, ${python:Depends}, ${shlibs:Depends} Description: Applications and toolkit for X-ray fluorescence analysis -- scripts PyMca is set of applications and Python libraries for analysis of X-ray fluorescence spectra. . The applications included in this package are: . * edfviewer - Display and inspection of data files in ESRF Data Format * elementsinfo - Displays element specific X-ray data * mca2edf - Converts files from SPEC MCA format to EDF * peakidentifier - Displays X-ray fluorescence peaks in a given energy range * pymcabatch - Batch fitting of spectra * pymcapostbatch - Post-processing of batch fitting results * pymca - Interactive data-analysis * pymcaroitool - Region-of-interest (ROI) imaging tool . The PyMca toolkit can read data files in SPEC, ESRF data file (EDF), OMNIC, HDF5, AIFIRA and SupaVisio formats. . This are the scripts of the package. Package: python-pymca5 Architecture: any Section: python Depends: pymca-data (= ${source:Version}), python-fisx (>= 1.1.2), python-matplotlib, python-opengl, python-qt4 | python-pyside | python-pyqt5, python-qt4-gl | python-pyside | python-pyqt5.qtopengl, ${misc:Depends}, ${python:Depends}, ${shlibs:Depends} Recommends: python-h5py, python-mdp Description: Applications and toolkit for X-ray fluorescence analysis -- Python 2 PyMca is set of applications and Python libraries for analysis of X-ray fluorescence spectra. . The applications included in this package are: . * edfviewer - Display and inspection of data files in ESRF Data Format * elementsinfo - Displays element specific X-ray data * mca2edf - Converts files from SPEC MCA format to EDF * peakidentifier - Displays X-ray fluorescence peaks in a given energy range * pymcabatch - Batch fitting of spectra * pymcapostbatch - Post-processing of batch fitting results * pymca - Interactive data-analysis * pymcaroitool - Region-of-interest (ROI) imaging tool . The PyMca toolkit can read data files in SPEC, ESRF data file (EDF), OMNIC, HDF5, AIFIRA and SupaVisio formats. . This is the Python 2 version of the package. Package: python-pymca5-dbg Architecture: any Section: debug Depends: python-fisx-dbg (>= 1.1.2), python-matplotlib-dbg, python-opengl, python-pymca5 (= ${binary:Version}), python-qt4-dbg | python-pyqt5-dbg, python-qt4-gl-dbg | python-pyqt5.qtopengl-dbg, ${misc:Depends}, ${python:Depends}, ${shlibs:Depends} Recommends: python-dbg, python-h5py-dbg, python-mdp Description: Applications and toolkit for X-ray fluorescence analysis -- Python 2 debug PyMca is set of applications and Python libraries for analysis of X-ray fluorescence spectra. . The applications included in this package are: . * edfviewer - Display and inspection of data files in ESRF Data Format * elementsinfo - Displays element specific X-ray data * mca2edf - Converts files from SPEC MCA format to EDF * peakidentifier - Displays X-ray fluorescence peaks in a given energy range * pymcabatch - Batch fitting of spectra * pymcapostbatch - Post-processing of batch fitting results * pymca - Interactive data-analysis * pymcaroitool - Region-of-interest (ROI) imaging tool . The PyMca toolkit can read data files in SPEC, ESRF data file (EDF), OMNIC, HDF5, AIFIRA and SupaVisio formats. . This is the Python 2 debug version of the package. Package: python3-pymca5 Architecture: any Section: python Depends: pymca-data (= ${source:Version}), python3-fisx (>= 1.1.2), python3-matplotlib, python3-opengl, python3-pyqt4 | python3-pyside | python3-pyqt5, python3-pyqt4.qtopengl | python3-pyside | python3-pyqt5.qtopengl, ${misc:Depends}, ${python3:Depends}, ${shlibs:Depends} Recommends: python3-h5py, python3-mdp Description: Applications and toolkit for X-ray fluorescence analysis -- Python 3 PyMca is set of applications and Python libraries for analysis of X-ray fluorescence spectra. . The applications included in this package are: . * edfviewer - Display and inspection of data files in ESRF Data Format * elementsinfo - Displays element specific X-ray data * mca2edf - Converts files from SPEC MCA format to EDF * peakidentifier - Displays X-ray fluorescence peaks in a given energy range * pymcabatch - Batch fitting of spectra * pymcapostbatch - Post-processing of batch fitting results * pymca - Interactive data-analysis * pymcaroitool - Region-of-interest (ROI) imaging tool . The PyMca toolkit can read data files in SPEC, ESRF data file (EDF), OMNIC, HDF5, AIFIRA and SupaVisio formats. . This is the Python 3 version of the package. Package: python3-pymca5-dbg Architecture: any Section: debug Depends: python3-fisx-dbg (>= 1.1.2), python3-matplotlib-dbg, python3-opengl, python3-pymca5 (= ${binary:Version}), python3-pyqt4-dbg | python3-pyqt5-dbg, python3-pyqt4.qtopengl-dbg | python3-pyqt5.qtopengl-dbg, ${misc:Depends}, ${python3:Depends}, ${shlibs:Depends} Recommends: python3-dbg, python3-h5py-dbg, python3-mdp Description: Applications and toolkit for X-ray fluorescence analysis -- Python 3 debug PyMca is set of applications and Python libraries for analysis of X-ray fluorescence spectra. . The applications included in this package are: . * edfviewer - Display and inspection of data files in ESRF Data Format * elementsinfo - Displays element specific X-ray data * mca2edf - Converts files from SPEC MCA format to EDF * peakidentifier - Displays X-ray fluorescence peaks in a given energy range * pymcabatch - Batch fitting of spectra * pymcapostbatch - Post-processing of batch fitting results * pymca - Interactive data-analysis * pymcaroitool - Region-of-interest (ROI) imaging tool . The PyMca toolkit can read data files in SPEC, ESRF data file (EDF), OMNIC, HDF5, AIFIRA and SupaVisio formats. . This is the Python 3 debug version of the package. Package: pymca-data Architecture: all Depends: ${misc:Depends} Description: Architecture independent data files for PyMca PyMca is set of applications and Python libraries for analysis of X-ray fluorescence spectra. . This package contains the architecture independent data files for PyMca. Package: pymca-doc Architecture: all Section: doc Depends: ${misc:Depends}, ${sphinxdoc:Depends}, Breaks: pymca (<< 5.1.2+dfsg), Replaces: pymca (<< 5.1.2+dfsg), Description: Documentation files for PyMca PyMca is set of applications and Python libraries for analysis of X-ray fluorescence spectra. . This package contains the documentation files for PyMca. PyMca5-5.2.2/package/debian8/compat0000644000276300001750000000000213203352103017016 0ustar solebliss000000000000009 PyMca5-5.2.2/package/debian8/changelog0000644000276300001750000000052413205526205017503 0ustar solebliss00000000000000pymca (5.2.2-2) unstable; urgency=low * Bugfix SpsDataSource -- Pierre Knobel Thu, 7 Nov 2017 10:01:17 +0200 pymca (5.2.2-1) unstable; urgency=low * Upstream version 5.2.2a. * New internal debian packaging scripts based on silx -- Pierre Knobel Thu, 26 Oct 2017 10:01:17 +0200 PyMca5-5.2.2/package/debian8/source/0000755000276300001750000000000013205526235017133 5ustar solebliss00000000000000PyMca5-5.2.2/package/debian8/source/format0000644000276300001750000000001413203352103020326 0ustar solebliss000000000000003.0 (quilt) PyMca5-5.2.2/package/debian8/source/options0000644000276300001750000000004613203352103020536 0ustar solebliss00000000000000extend-diff-ignore="^[^/]+\.egg-info/"PyMca5-5.2.2/package/debian8/rules0000644000276300001750000000463613203352103016706 0ustar solebliss00000000000000#!/usr/bin/make -f export DH_VERBOSE=1 export SPECFILE_USE_GNU_SOURCE=1 export WITH_CYTHON=1 export QHULL_CFLAGS=-I/usr/include/qhull export QHULL_LIBS=-lqhull export PYMCA_DATA_DIR=/usr/share/pymca export PYMCA_DOC_DIR=$(PYMCA_DATA_DIR)/doc export PYMCA_DISTUTILS=1 export PYMCA_DATA_DIR_TEST=$(CURDIR)/PyMca5/PyMcaData/ export PYMCA_DOC_DIR_TEST=$(PYMCA_DATA_DIR_TEST)/doc export PYBUILD_NAME=pymca5 export PYBUILD_AFTER_INSTALL=rm -rf {destdir}/usr/bin/ {destdir}/usr/share/man {destdir}$(PYMCA_DATA_DIR) %: dh $@ --with python2,python3,sphinxdoc --buildsystem=pybuild override_dh_clean: dh_clean # remove the .c cython generated files find PyMca5 -iname *.pyx | sed -e 's,\.pyx,\.c,g' | xargs -r rm -f # remove the build documentation rm -rf doc/build override_dh_installchangelogs: dh_installchangelogs changelog.txt override_dh_install: dh_install -O--buildsystem=pybuild # pymca python setup.py install_scripts -d debian/pymca/usr/bin python setup.py install_man -d debian/pymca/usr/share/man dh_install -p pymca package/desktop/edfviewer.desktop usr/share/applications dh_install -p pymca package/desktop/elementsinfo.desktop usr/share/applications dh_install -p pymca package/desktop/peakidentifier.desktop usr/share/applications dh_install -p pymca package/desktop/pymca.desktop usr/share/applications dh_install -p pymca package/desktop/pymca.xpm usr/share/pixmaps dh_install -p pymca package/desktop/pymcaroitool.desktop usr/share/applications # pymca-data python setup.py install_data --root debian/pymca-data/ rm -f debian/pymca-data/usr/share/pymca/EPDL97/LICENSE rm -f debian/pymca-data/usr/share/pymca/LICENSE rm -f debian/pymca-data/usr/share/pymca/LICENSE.GPL rm -f debian/pymca-data/usr/share/pymca/LICENSE.LGPL rm -f debian/pymca-data/usr/share/pymca/LICENSE.MIT rm -rf debian/pymca-data/usr/share/pymca/doc/HTML/PyMCA_files/ dh_numpy dh_numpy3 override_dh_auto_test: PYBUILD_SYSTEM=custom \ PYBUILD_TEST_ARGS="cd {build_dir} && PYMCA_DATA_DIR=$(PYMCA_DATA_DIR_TEST) {interpreter} PyMca5/tests/TestAll.py" dh_auto_test override_dh_sphinxdoc: ifeq (,$(findstring nodocs, $(DEB_BUILD_OPTIONS))) PYBUILD_SYSTEM=custom \ PYBUILD_BUILD_ARGS="cd doc && PYTHONPATH={build_dir} PYMCA_DATA_DIR=$(PYMCA_DATA_DIR_TEST) http_proxy='127.0.0.1:9' sphinx-build -N -bhtml source build/html" dh_auto_build # HTML generator dh_installdocs "doc/build/html" -p pymca-doc dh_sphinxdoc -O--buildsystem=pybuild endif PyMca5-5.2.2/package/debian8/gbp.conf0000644000276300001750000000004013203352103017231 0ustar solebliss00000000000000[DEFAULT] debian-branch = masterPyMca5-5.2.2/package/debian8/clean0000644000276300001750000000001413203352103016620 0ustar solebliss00000000000000*.egg-info/*PyMca5-5.2.2/package/debian9/0000755000276300001750000000000013205526235015634 5ustar solebliss00000000000000PyMca5-5.2.2/package/debian9/watch0000644000276300001750000000027213203352103016653 0ustar solebliss00000000000000version=3 opts=repacksuffix=+dfsg,\ uversionmangle=s/(rc|a|b|c)/~$1/,\ dversionmangle=s/\+dfsg// \ https://pypi.debian.net/PyMca5/PyMca5-(.+)\.(?:zip|tgz|tbz|txz|(?:tar\.(?:gz|bz2|xz))) PyMca5-5.2.2/package/debian9/control0000644000276300001750000001760213203352103017232 0ustar solebliss00000000000000Source: pymca Maintainer: Debian Science Maintainers Uploaders: Teemu Ikonen , Picca Frédéric-Emmanuel Section: science Testsuite: autopkgtest Priority: extra Build-Depends: cython, cython-dbg, cython3, cython3-dbg, dh-python, debhelper (>= 9), libglu1-mesa-dev, libqhull-dev, python-all-dbg, python-all-dev, python-numpy, python-numpy-dbg, python-setuptools, python-sphinx, python3-all-dbg, python3-all-dev, python3-numpy, python3-numpy-dbg, python3-setuptools, python3-sphinx, Standards-Version: 3.9.8 Vcs-Browser: https://anonscm.debian.org/cgit/debian-science/packages/pymca.git Vcs-Git: https://anonscm.debian.org/git/debian-science/packages/pymca.git Homepage: https://github.com/vasole/pymca Package: pymca Architecture: all Depends: python-pymca5 (>= ${source:Version}), ${misc:Depends}, ${python:Depends}, ${shlibs:Depends} Description: Applications and toolkit for X-ray fluorescence analysis -- scripts PyMca is set of applications and Python libraries for analysis of X-ray fluorescence spectra. . The applications included in this package are: . * edfviewer - Display and inspection of data files in ESRF Data Format * elementsinfo - Displays element specific X-ray data * mca2edf - Converts files from SPEC MCA format to EDF * peakidentifier - Displays X-ray fluorescence peaks in a given energy range * pymcabatch - Batch fitting of spectra * pymcapostbatch - Post-processing of batch fitting results * pymca - Interactive data-analysis * pymcaroitool - Region-of-interest (ROI) imaging tool . The PyMca toolkit can read data files in SPEC, ESRF data file (EDF), OMNIC, HDF5, AIFIRA and SupaVisio formats. . This are the scripts of the package. Package: python-pymca5 Architecture: any Section: python Depends: pymca-data (= ${source:Version}), python-fisx (>= 1.1.2), python-matplotlib, python-opengl, python-qt4 | python-pyside | python-pyqt5, python-qt4-gl | python-pyside | python-pyqt5.qtopengl, ${misc:Depends}, ${python:Depends}, ${shlibs:Depends} Recommends: python-h5py, python-mdp Description: Applications and toolkit for X-ray fluorescence analysis -- Python 2 PyMca is set of applications and Python libraries for analysis of X-ray fluorescence spectra. . The applications included in this package are: . * edfviewer - Display and inspection of data files in ESRF Data Format * elementsinfo - Displays element specific X-ray data * mca2edf - Converts files from SPEC MCA format to EDF * peakidentifier - Displays X-ray fluorescence peaks in a given energy range * pymcabatch - Batch fitting of spectra * pymcapostbatch - Post-processing of batch fitting results * pymca - Interactive data-analysis * pymcaroitool - Region-of-interest (ROI) imaging tool . The PyMca toolkit can read data files in SPEC, ESRF data file (EDF), OMNIC, HDF5, AIFIRA and SupaVisio formats. . This is the Python 2 version of the package. Package: python-pymca5-dbg Architecture: any Section: debug Depends: python-fisx-dbg (>= 1.1.2), python-matplotlib-dbg, python-opengl, python-pymca5 (= ${binary:Version}), python-qt4-dbg | python-pyqt5-dbg, python-qt4-gl-dbg | python-pyqt5.qtopengl-dbg, ${misc:Depends}, ${python:Depends}, ${shlibs:Depends} Recommends: python-dbg, python-h5py-dbg, python-mdp Description: Applications and toolkit for X-ray fluorescence analysis -- Python 2 debug PyMca is set of applications and Python libraries for analysis of X-ray fluorescence spectra. . The applications included in this package are: . * edfviewer - Display and inspection of data files in ESRF Data Format * elementsinfo - Displays element specific X-ray data * mca2edf - Converts files from SPEC MCA format to EDF * peakidentifier - Displays X-ray fluorescence peaks in a given energy range * pymcabatch - Batch fitting of spectra * pymcapostbatch - Post-processing of batch fitting results * pymca - Interactive data-analysis * pymcaroitool - Region-of-interest (ROI) imaging tool . The PyMca toolkit can read data files in SPEC, ESRF data file (EDF), OMNIC, HDF5, AIFIRA and SupaVisio formats. . This is the Python 2 debug version of the package. Package: python3-pymca5 Architecture: any Section: python Depends: pymca-data (= ${source:Version}), python3-fisx (>= 1.1.2), python3-matplotlib, python3-opengl, python3-pyqt4 | python3-pyside | python3-pyqt5, python3-pyqt4.qtopengl | python3-pyside | python3-pyqt5.qtopengl, ${misc:Depends}, ${python3:Depends}, ${shlibs:Depends} Recommends: python3-h5py, python3-mdp Description: Applications and toolkit for X-ray fluorescence analysis -- Python 3 PyMca is set of applications and Python libraries for analysis of X-ray fluorescence spectra. . The applications included in this package are: . * edfviewer - Display and inspection of data files in ESRF Data Format * elementsinfo - Displays element specific X-ray data * mca2edf - Converts files from SPEC MCA format to EDF * peakidentifier - Displays X-ray fluorescence peaks in a given energy range * pymcabatch - Batch fitting of spectra * pymcapostbatch - Post-processing of batch fitting results * pymca - Interactive data-analysis * pymcaroitool - Region-of-interest (ROI) imaging tool . The PyMca toolkit can read data files in SPEC, ESRF data file (EDF), OMNIC, HDF5, AIFIRA and SupaVisio formats. . This is the Python 3 version of the package. Package: python3-pymca5-dbg Architecture: any Section: debug Depends: python3-fisx-dbg (>= 1.1.2), python3-matplotlib-dbg, python3-opengl, python3-pymca5 (= ${binary:Version}), python3-pyqt4-dbg | python3-pyqt5-dbg, python3-pyqt4.qtopengl-dbg | python3-pyqt5.qtopengl-dbg, ${misc:Depends}, ${python3:Depends}, ${shlibs:Depends} Recommends: python3-dbg, python3-h5py-dbg, python3-mdp Description: Applications and toolkit for X-ray fluorescence analysis -- Python 3 debug PyMca is set of applications and Python libraries for analysis of X-ray fluorescence spectra. . The applications included in this package are: . * edfviewer - Display and inspection of data files in ESRF Data Format * elementsinfo - Displays element specific X-ray data * mca2edf - Converts files from SPEC MCA format to EDF * peakidentifier - Displays X-ray fluorescence peaks in a given energy range * pymcabatch - Batch fitting of spectra * pymcapostbatch - Post-processing of batch fitting results * pymca - Interactive data-analysis * pymcaroitool - Region-of-interest (ROI) imaging tool . The PyMca toolkit can read data files in SPEC, ESRF data file (EDF), OMNIC, HDF5, AIFIRA and SupaVisio formats. . This is the Python 3 debug version of the package. Package: pymca-data Architecture: all Depends: ${misc:Depends} Description: Architecture independent data files for PyMca PyMca is set of applications and Python libraries for analysis of X-ray fluorescence spectra. . This package contains the architecture independent data files for PyMca. Package: pymca-doc Architecture: all Section: doc Depends: ${misc:Depends}, ${sphinxdoc:Depends}, Breaks: pymca (<< 5.1.2+dfsg), Replaces: pymca (<< 5.1.2+dfsg), Description: Documentation files for PyMca PyMca is set of applications and Python libraries for analysis of X-ray fluorescence spectra. . This package contains the documentation files for PyMca. PyMca5-5.2.2/package/debian9/compat0000644000276300001750000000000213203352103017017 0ustar solebliss000000000000009 PyMca5-5.2.2/package/debian9/changelog0000644000276300001750000000052413203352724017505 0ustar solebliss00000000000000pymca (5.2.2-2) unstable; urgency=low * Bugfix SpsDataSource -- Pierre Knobel Thu, 7 Nov 2017 10:01:17 +0200 pymca (5.2.2-1) unstable; urgency=low * Upstream version 5.2.2a. * New internal debian packaging scripts based on silx -- Pierre Knobel Thu, 26 Oct 2017 10:01:17 +0200 PyMca5-5.2.2/package/debian9/source/0000755000276300001750000000000013205526235017134 5ustar solebliss00000000000000PyMca5-5.2.2/package/debian9/source/format0000644000276300001750000000001413203352103020327 0ustar solebliss000000000000003.0 (quilt) PyMca5-5.2.2/package/debian9/source/options0000644000276300001750000000004613203352103020537 0ustar solebliss00000000000000extend-diff-ignore="^[^/]+\.egg-info/"PyMca5-5.2.2/package/debian9/rules0000644000276300001750000000465113203352103016704 0ustar solebliss00000000000000#!/usr/bin/make -f export DH_VERBOSE=1 export SPECFILE_USE_GNU_SOURCE=1 export WITH_CYTHON=1 export QHULL_CFLAGS=-I/usr/include/qhull export QHULL_LIBS=-lqhull export PYMCA_DATA_DIR=/usr/share/pymca export PYMCA_DOC_DIR=$(PYMCA_DATA_DIR)/doc export PYMCA_DISTUTILS=1 export PYMCA_DATA_DIR_TEST=$(CURDIR)/PyMca5/PyMcaData/ export PYMCA_DOC_DIR_TEST=$(PYMCA_DATA_DIR_TEST)/doc export PYBUILD_NAME=pymca5 export PYBUILD_AFTER_INSTALL=rm -rf {destdir}/usr/bin/ {destdir}/usr/share/man {destdir}$(PYMCA_DATA_DIR) %: dh $@ --with python2,python3,sphinxdoc --buildsystem=pybuild override_dh_clean: dh_clean # remove the .c cython generated files find PyMca5 -iname *.pyx | sed -e 's,\.pyx,\.c,g' | xargs -r rm -f # remove the build documentation rm -rf doc/build override_dh_installchangelogs: dh_installchangelogs changelog.txt override_dh_install: dh_install -O--buildsystem=pybuild # pymca python setup.py install_scripts -d debian/pymca/usr/bin python setup.py install_man -d debian/pymca/usr/share/man dh_install -p pymca package/desktop/edfviewer.desktop usr/share/applications dh_install -p pymca package/desktop/elementsinfo.desktop usr/share/applications dh_install -p pymca package/desktop/peakidentifier.desktop usr/share/applications dh_install -p pymca package/desktop/pymca.desktop usr/share/applications dh_install -p pymca package/desktop/pymca.xpm usr/share/pixmaps dh_install -p pymca package/desktop/pymcaroitool.desktop usr/share/applications # pymca-data python setup.py install_data --root debian/pymca-data/ rm -f debian/pymca-data/usr/share/pymca/EPDL97/LICENSE rm -f debian/pymca-data/usr/share/pymca/LICENSE rm -f debian/pymca-data/usr/share/pymca/LICENSE.GPL rm -f debian/pymca-data/usr/share/pymca/LICENSE.LGPL rm -f debian/pymca-data/usr/share/pymca/LICENSE.MIT rm -rf debian/pymca-data/usr/share/pymca/doc/HTML/PyMCA_files/ dh_numpy dh_numpy3 override_dh_auto_test: PYBUILD_SYSTEM=custom \ PYBUILD_TEST_ARGS="cd {build_dir} && PYMCA_DATA_DIR=$(PYMCA_DATA_DIR_TEST) {interpreter} PyMca5/tests/TestAll.py" dh_auto_test override_dh_sphinxdoc: ifeq (,$(findstring nodocs, $(DEB_BUILD_OPTIONS))) PYBUILD_SYSTEM=custom \ PYBUILD_BUILD_ARGS="cd doc && PYTHONPATH={build_dir} PYMCA_DATA_DIR=$(PYMCA_DATA_DIR_TEST) http_proxy='127.0.0.1:9' {interpreter} -m sphinx -N -bhtml source build/html" dh_auto_build # HTML generator dh_installdocs "doc/build/html" -p pymca-doc dh_sphinxdoc -O--buildsystem=pybuild endif PyMca5-5.2.2/package/debian9/gbp.conf0000644000276300001750000000004013203352103017232 0ustar solebliss00000000000000[DEFAULT] debian-branch = masterPyMca5-5.2.2/package/debian9/clean0000644000276300001750000000001413203352103016621 0ustar solebliss00000000000000*.egg-info/*PyMca5-5.2.2/package/desktop/0000755000276300001750000000000013205526235015772 5ustar solebliss00000000000000PyMca5-5.2.2/package/desktop/pymcaroitool.desktop0000644000276300001750000000050713203352103022075 0ustar solebliss00000000000000[Desktop Entry] Version=1.0 Name=PyMCA ROI tool Name[en_GB]=PyMCA ROI tool GenericName=Region of Interest imaging tool for XRF analysis GenericName[en_GB]=Region Of Interest imaging tool for XRF analysis Type=Application Exec=pymcaroitool Icon=/usr/share/pixmaps/pymca.xpm Terminal=false Categories=Science;Education;Physics; PyMca5-5.2.2/package/desktop/edfviewer.desktop0000644000276300001750000000043413203352103021333 0ustar solebliss00000000000000[Desktop Entry] Version=1.0 Name=EDFviewer Name[en_GB]=EDFviewer GenericName=Display files in ESRF Data Format GenericName[en_GB]=Display files in ESRF Data Format Type=Application Exec=edfviewer Icon=/usr/share/pixmaps/pymca.xpm Terminal=false Categories=Science;Education;Physics; PyMca5-5.2.2/package/desktop/pymca.xpm0000644000276300001750000004333013203352103017621 0ustar solebliss00000000000000/* XPM */ static char * pymca_xpm[] = { "32 32 994 2", " c #959983", ". c #80816A", "+ c #746C55", "@ c #5A5146", "# c #524E49", "$ c #71604F", "% c #9B7D5D", "& c #AF8B63", "* c #C29A6D", "= c #C19769", "- c #C89C6C", "; c #C79B6D", "> c #C89A6B", ", c #C99C6C", "' c #CB9F6E", ") c #C9A06F", "! c #C49C6B", "~ c #C79D70", "{ c #B99165", "] c #AA865B", "^ c #A6855B", "/ c #A07E55", "( c #9C7B57", "_ c #937551", ": c #8D704F", "< c #866C4D", "[ c #7D644A", "} c #76614A", "| c #6B5948", "1 c #5C5045", "2 c #4D4842", "3 c #484744", "4 c #878B71", "5 c #756F58", "6 c #5F5548", "7 c #524E47", "8 c #59534C", "9 c #7F6C55", "0 c #9B7F5D", "a c #B3926A", "b c #B89466", "c c #BF9868", "d c #C79E6F", "e c #C99E6D", "f c #CDA16C", "g c #C89C6A", "h c #C89E6E", "i c #CAA474", "j c #C29C6C", "k c #C29D6B", "l c #C19C6A", "m c #B28F62", "n c #A7865D", "o c #A9885E", "p c #A6835A", "q c #A18059", "r c #9D7C57", "s c #8D7152", "t c #826A4E", "u c #72604A", "v c #5D5246", "w c 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information on elements Type=Application Exec=elementsinfo Icon=/usr/share/pixmaps/pymca.xpm Terminal=false Categories=Science;Education;Physics; PyMca5-5.2.2/package/desktop/pymca.desktop0000644000276300001750000000046613203352103020471 0ustar solebliss00000000000000[Desktop Entry] Version=1.0 Name=PyMCA Name[en_GB]=PyMCA GenericName=X-ray Fluorescence Data-Analysis GenericName[en_GB]=X-ray Fluorescence Data-Analysis Comment=Analyse X-ray Fluorescence data Type=Application Exec=pymca Icon=/usr/share/pixmaps/pymca.xpm Terminal=false Categories=Science;Education;Physics; PyMca5-5.2.2/cx_setup.py0000644000276300001750000004446213205526205015141 0ustar solebliss00000000000000# # These Python module have been developed by V.A. Sole, from the European # Synchrotron Radiation Facility (ESRF) to build a frozen version of PyMca. # Given the nature of this work, these module can be considered public domain. # Therefore redistribution and use in source and binary forms, with or without # modification, are permitted provided the following disclaimer is accepted: # # # THIS SOFTWARE IS PROVIDED BY THE AUTHOR(S) AND THE ESRF ``AS IS'' AND ANY # EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED # WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE # DISCLAIMED. IN NO EVENT SHALL THE AUTHOR(S) AND/OR THE ESRF BE LIABLE FOR ANY # DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES # (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; # LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND # ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT # (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS # SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. # # A cx_freeze setup script to create PyMca executables # # Use "python cx_setup.py install" # # It expects a properly configured compiler. # # Under windows you may need to set MINGW = True (untested) if you are # not using VS2003 (python 2.5) or VS2008 (python > 2.5) # # If everything works well one should find a directory in the build # directory that contains the files needed to run the PyMca without Python # from cx_Freeze import setup, Executable import sys import os import glob import cx_Freeze.hooks as _hooks MINGW = False DEBUG = False def load_PyQt4_Qt(finder, module): """the PyQt4.Qt module is an extension module which imports a number of other modules and injects their namespace into its own. It seems a foolish way of doing things but perhaps there is some hidden advantage to this technique over pure Python; ignore the absence of some of the modules since not every installation includes all of them.""" try: #This modules does not seem to be always present finder.IncludeModule("PyQt4._qt") except ImportError: pass finder.IncludeModule("PyQt4.QtCore") finder.IncludeModule("PyQt4.QtGui") finder.IncludeModule("sip") for name in ("PyQt4.QtSvg", "PyQt4.Qsci", "PyQt4.QtAssistant", "PyQt4.QtNetwork", "PyQt4.QtOpenGL", "PyQt4.QtScript", "PyQt4.QtSql", "PyQt4.QtSvg", "PyQt4.QtTest", "PyQt4.QtXml"): try: finder.IncludeModule(name) except ImportError: pass _hooks.load_PyQt4_Qt = load_PyQt4_Qt PyMcaInstallationDir = "build" if sys.platform != "windows": PyMcaDir = os.path.join(PyMcaInstallationDir, "PyMca5").replace(" ","_") else: PyMcaDir =os.path.join(PyMcaInstallationDir, "PyMca5") #make sure PyMca is freshly built if sys.platform == 'win32': if MINGW: # MinGW compiler needs two steps cmd = "python setup.py build -c mingw32 --distutils" if os.system(cmd): print("Error building PyMca") sys.exit(1) cmd = "python setup.py install --install-lib %s --install-data %s --distutils" % \ (PyMcaInstallationDir, PyMcaInstallationDir) if os.system(cmd): print("Error building PyMca") sys.exit(1) # PyMca expected to be properly installed include_files = [] # this is critical for Qt to find image format plugins include_files.append(("qtconffile", "qt.conf")) # Add the qt plugins directory import PyQt4.Qt as qt app = qt.QApplication([]) pluginsDir = str(qt.QLibraryInfo.location(qt.QLibraryInfo.PluginsPath)) for pluginSet in glob.glob(os.path.join(pluginsDir,'*')): plugin = os.path.basename(pluginSet) if plugin in ["imageformats"]: if sys.platform == 'win32': ext = "*dll" else: if sys.platform.startswith("darwin"): print("WARNING: Not ready for this platform") #for darwin platform I use py2app #this only applies to linux ext = "*so" destination = os.path.join("plugins", plugin) fList = glob.glob(os.path.join(pluginSet,ext)) for f in fList: include_files.append((f, os.path.join(destination,os.path.basename(f)))) #I should use somehow absolute import ... sys.path = [PyMcaInstallationDir] + sys.path[1:] import ctypes import OpenGL from PyMca5 import Object3D OBJECT3D = True try: import scipy SCIPY = True if DEBUG: print("ADDING SciPy DOUBLES THE SIZE OF THE DOWNLOADABLE PACKAGE...") except: SCIPY = False # For the time being I leave SciPy out SCIPY = False try: import matplotlib MATPLOTLIB = True except ImportError: MATPLOTLIB = False try: import pyopencl OPENCL = True from PyMca5.PyMcaMath import sift except : OPENCL = False if sys.platform.lower().startswith("linux"): # no sense to freeze OPENCL = False try: import mdp MDP = True except ImportError: MDP = False H5PY_SPECIAL = False import h5py if h5py.version.version < '1.2.0': includes = ['h5py._extras'] elif h5py.version.version < '1.3.0': includes = ['h5py._stub', 'h5py._sync', 'h5py.utils'] elif h5py.version.version < '2.0.0': includes = ['h5py._extras', 'h5py._stub', 'h5py.utils', 'h5py._conv', 'h5py._proxy'] else: H5PY_SPECIAL = True includes = [] try: import fisx FISX = True except ImportError: print("Please install fisx module prior to freeze PyMca") FISX = False raise try: import hdf5plugin except ImportError: pass #some standard encodings includes.append('encodings.ascii') includes.append('encodings.utf_8') includes.append('encodings.latin_1') import PyMca5 special_modules = [os.path.dirname(PyMca5.__file__), os.path.dirname(ctypes.__file__)] if sys.platform == "win32": try: import hdf5plugin special_modules.append(os.path.dirname(hdf5plugin.__file__)) except ImportError: print("Please install hdf5plugin prior to freeze PyMca") raise import silx special_modules.append(os.path.dirname(silx.__file__)) SILX = True excludes = ["Tkinter", "tkinter", 'tcl','_tkagg', 'Tkconstants', "scipy", "Numeric", "numarray"] try: import IPython if IPython.__version__.startswith('2'): special_modules.append(os.path.dirname(IPython.__file__)) includes.append("colorsys") import pygments special_modules.append(os.path.dirname(pygments.__file__)) import zmq special_modules.append(os.path.dirname(zmq.__file__)) import pygments #includes.append("IPython") #includes.append("IPython.qt") #includes.append("IPython.qt.console") #includes.append("IPython.qt.console.rich_ipython_widget") #includes.append("IPython.qt.inprocess") #includes.append("IPython.lib") except ImportError: print("Console plugin not available") pass if sys.version < '3.0': #https://bitbucket.org/anthony_tuininga/cx_freeze/issues/127/collectionssys-error excludes.append("collections.abc") if H5PY_SPECIAL: special_modules.append(os.path.dirname(h5py.__file__)) if OPENCL: special_modules.append(os.path.dirname(pyopencl.__file__)) includes.append("pytools") includes.append("decorator") else: excludes.append("pyopencl") if MDP: #mdp versions above 2.5 need special treatment if mdp.__version__ > '2.5': special_modules.append(os.path.dirname(mdp.__file__)) if MATPLOTLIB: special_modules.append(os.path.dirname(matplotlib.__file__)) if SCIPY: special_modules.append(os.path.dirname(scipy.__file__)) if OBJECT3D: includes.append("logging") excludes.append("OpenGL") special_modules.append(os.path.dirname(OpenGL.__file__)) if FISX: special_modules.append(os.path.dirname(fisx.__file__)) for f in special_modules: include_files.append((f, os.path.basename(f))) for f in ['qt', 'qttable', 'qtcanvas', 'Qwt5']: excludes.append(f) buildOptions = dict( compressed = True, include_files = include_files, excludes = excludes, includes = includes, #includes = ["scipy.interpolate", "scipy.linalg"] #optimize=2, #packages = packages, #includes = ["Object3D"], #path = [PyMcaDir] + sys.path ) install_dir = PyMcaDir + " " + PyMca5.version() if not sys.platform.startswith('win'): install_dir = install_dir.replace(" ","") if os.path.exists(install_dir): try: def dir_cleaner(directory): for f in glob.glob(os.path.join(directory,'*')): if os.path.isfile(f): try: os.remove(f) except: print("file <%s> not deleted" % f) if os.path.isdir(f): dir_cleaner(f) try: os.rmdir(directory) except: print("directory ", directory, "not deleted") dir_cleaner(install_dir) except: print("Unexpected error:", sys.exc_info()) pass if os.path.exists('bin'): for f in glob.glob(os.path.join('bin','*')): os.remove(f) os.rmdir('bin') installOptions = dict( install_dir= install_dir, ) exec_list = {"PyMcaMain": os.path.join(PyMcaDir, "PyMcaGui", \ "pymca", "PyMcaMain.py"), "PyMcaBatch": os.path.join(PyMcaDir, "PyMcaGui", \ "pymca", "PyMcaBatch.py"), "QStackWidget":os.path.join(PyMcaDir, "PyMcaGui", \ "pymca", "QStackWidget.py"), "PeakIdentifier":os.path.join(PyMcaDir, "PyMcaGui", \ "physics", "xrf", "PeakIdentifier.py"), "EdfFileSimpleViewer": os.path.join(PyMcaDir, "PyMcaGui", \ "pymca", "EdfFileSimpleViewer.py"), "PyMcaPostBatch": os.path.join(PyMcaDir, "PyMcaGui", \ "pymca", "PyMcaPostBatch.py"), "Mca2Edf": os.path.join(PyMcaDir, "PyMcaGui", \ "pymca", "Mca2Edf.py"), "ElementsInfo":os.path.join(PyMcaDir, "PyMcaGui", \ "physics", "xrf", "ElementsInfo.py"), } for f in list(exec_list.keys()): executable = os.path.join(install_dir, f) if os.path.exists(executable): os.remove(executable) executables = [] for key in exec_list: icon = None # this allows to map a different icon to each executable if sys.platform.startswith('win'): if key in ["PyMcaMain", "QStackWidget"]: icon = os.path.join(os.path.dirname(__file__), "icons", "PyMca.ico") python_module = exec_list[key] executables.append(Executable(python_module, icon=icon)) setup( name = "PyMca5", version = PyMca5.version(), description = "PyMca %s" % PyMca5.version(), options = dict(build_exe = buildOptions, install_exe = installOptions ), executables = executables) if SILX: # silx gui._qt module needs to be patched to get rid of uic initFile = os.path.join(install_dir, "silx", "gui", "qt", "_qt.py") print("###################################################################") print(initFile) print("###################################################################") f = open(initFile, "r") content = f.readlines() f.close() f = open(initFile, "w") for line in content: if ("PyQt4.uic" in line) or ("PyQt5.uic" in line): continue f.write(line) f.close() if OPENCL: # pyopencl __init__.py needs to be patched initFile = os.path.join(install_dir, "pyopencl", "__init__.py") f = open(initFile, "r") content = f.readlines() f.close() i = 0 i0 = 0 for line in content: if "def _find_pyopencl_include_path():" in line: i0 = i - 1 elif (i0 != 0) and ("}}}" in line): i1 = i break i += 1 f = open(initFile, "w") for i in range(0, i0): f.write(content[i]) txt ='\n' txt +='def _find_pyopencl_include_path():\n' txt +=' from os.path import dirname, join, realpath\n' txt +=" return '\"%s\"' % join(realpath(dirname(__file__)), \"cl\")" txt +="\n" txt +="\n" f.write(txt) for line in content[i1:]: f.write(line) f.close() if not sys.platform.startswith('win'): #rename the executables to .exe for easier handling by the start scripts for f in exec_list: executable = os.path.join(install_dir, f) if os.path.exists(executable): os.rename(executable, executable+".exe") #create the start script text = "#!/bin/bash\n" text += 'if test -e "./%s.exe"; then\n' % f text += ' export LD_LIBRARY_PATH=./:${LD_LIBRARY_PATH}\n' text += ' exec ./%s.exe $*\n' % f text += 'else\n' text += ' if test -z "${PYMCAHOME}" ; then\n' text += ' thisdir=`dirname $0` \n' text += ' export PYMCAHOME=${thisdir}\n' text += ' fi\n' text += ' export LD_LIBRARY_PATH=${PYMCAHOME}:${LD_LIBRARY_PATH}\n' text += ' exec ${PYMCAHOME}/%s.exe $*\n' % f text += 'fi\n' nfile = open(executable,'w') nfile.write(text) nfile.close() os.system("chmod 775 %s" % executable) #generate the lowercase commands if f == "PyMcaMain": os.system("cp -f %s %s" % (executable, os.path.join(install_dir, 'pymca'))) elif f == "QStackWidget": os.system("cp -f %s %s" % (executable, os.path.join(install_dir, 'pymcaroitool'))) elif f == "EdfFileSimpleViewer": os.system("cp -f %s %s" % (executable, os.path.join(install_dir, 'edfviewer'))) else: os.system("cp -f %s %s" % (executable, os.path.join(install_dir, f.lower()))) if f == "PyMcaPostBatch": os.system("cp -f %s %s" % (executable, os.path.join(install_dir, 'rgbcorrelator'))) #cleanup for f in glob.glob(os.path.join(os.path.dirname(__file__),"PyMca5", "*.pyc")): os.remove(f) if not sys.platform.startswith('win'): #Unix binary ... for dirname in ['/lib','/usr/lib', '/usr/X11R6/lib/']: for fname0 in ["libreadline.so.4", "libgthread-2.0.so.0", "libglib-2.0.so.0", "libpng12.so.0", "libfreetype.so.6", "libXrender.so.1", "libXxf86vm.so.1", "libfontconfig.so.1", "libexpat.so.0", ]: fname = os.path.join(dirname, fname0) if os.path.exists(fname): cmd = "cp -f %s %s" % (fname, os.path.join(install_dir, fname0)) os.system(cmd) #numpy is now compiled with libgfortran at the ESRF for fname in glob.glob(os.path.join(dirname, "libgfortra*")): if os.path.exists(fname): cmd = "cp -f %s %s" % (fname, os.path.join(install_dir, os.path.basename(fname))) os.system(cmd) #remove libX of the packaging system to use that of the target system #for fname in glob.glob(os.path.join(install_dir,"libX*")): # os.remove(fname) #remove libfontconfig.so of the package in order to use the one in the target system #for fname in glob.glob(os.path.join(install_dir,"libfontconf*")): # os.remove(fname) #end linux binary # check if the library has been created library = os.path.join(install_dir,"library.zip") if not os.path.exists(library): print("PROBLEM") print("Cannot find zipped library: ") print(library) print("Please use python cx_setup.py install") else: if DEBUG: print("NO PROBLEM") if os.path.exists('bin'): for f in glob.glob(os.path.join('bin','*')): os.remove(f) os.rmdir('bin') if not SCIPY: for f in ["SplinePlugins.py"]: plugin = os.path.join(install_dir, "PyMcaPlugins", f) if os.path.exists(plugin): print("Deleting plugin %s" % plugin) os.remove(plugin) sys.exit(0) ########################## WHAT FOLLOWS IS UNUSED CODE ################ # # # I was using it to add undetected modules to library.zip # # # # It might be needed in the future. Code kept here as "backup". # # # ####################################################################### #Add modules to library.zip import zipfile zf = zipfile.ZipFile(library, mode='a') PY_COUNTER = 0 PYC_COUNTER = 0 SKIP_PYC = False SKIP_PY = True def addToZip(zf, path, zippath, full=False): global PY_COUNTER global PYC_COUNTER if os.path.basename(path).upper().endswith("HTML"): if DEBUG: print("NOT ADDING", path) if not full: return if path.upper().endswith(".PYC"): PYC_COUNTER += 1 if SKIP_PYC: if not full: if DEBUG: print("NOT ADDING", path) return if path.upper().endswith(".PY"): PY_COUNTER += 1 if SKIP_PY: if not full: if DEBUG: print("NOT ADDING", path) return if os.path.isfile(path): zf.write(path, zippath, zipfile.ZIP_DEFLATED) elif os.path.isdir(path): if not os.path.basename(path).upper().startswith("PLUGIN"): for nm in os.listdir(path): addToZip(zf, os.path.join(path, nm), os.path.join(zippath, nm)) else: if DEBUG: print("NOT ADDING", path) addToZip(zf, PyMcaDir, os.path.basename(PyMcaDir), full=False) #if PY_COUNTER > PYC_COUNTER: # print "WARNING: More .py files than .pyc files. Check cx_setup.py" if PY_COUNTER < PYC_COUNTER: print("WARNING: More .pyc files than .py files. Check cx_setup.py") PyMca5-5.2.2/MANIFEST.in0000644000276300001750000000425213203352503014460 0ustar solebliss00000000000000include MANIFEST.in include LICENSE include LICENSE.MIT include LICENSE.GPL include LICENSE.LGPL include changelog.txt include qtconffile include cx_setup.py include py2app_setup.py include PlatypusScript include README include build-deb.sh include version.py include copyright recursive-include doc *.py *.rst recursive-include doc/man *.1 recursive-include icons *.icns *.ico *_256x256.png recursive-include PyMca5/EPDL97 *.DAT include PyMca5/EPDL97/LICENSE recursive-include PyMca5/Object3D/doc *.py recursive-include PyMca5/Object3D/Object3DQhull *.py *.c *.pyx *.pxd *.pxi recursive-include PyMca5/Object3D/Object3DCTools *.py *.c *.cpp recursive-include PyMca5/Object3D/scripts *.py include PyMca5/Object3D/LICENSE.LGPL include PyMca5/Object3D/qtconffile include PyMca5/Object3D/README.txt include PyMca5/Object3D/scripts/ob_scene recursive-include PyMca5/PyMca *.py recursive-include PyMca5/PyMcaCore *.py recursive-include PyMca5/PyMcaData *.dict *.dat *.cfg *.png *.mat *.html *.pdf *.xml *.gif *.wmz *.mso *.DICT *.TXT *.lib *.mca recursive-include PyMca5/PyMcaGraph *.py *.pyx *.pxd *.c *.h recursive-include PyMca5/PyMcaGui *.py recursive-include PyMca5/PyMcaIO *.py *.c *.h *.in include PyMca5/PyMcaIO/sps/LICENSE recursive-include PyMca5/PyMcaMath *.py *.c *.cl include PyMca5/PyMcaMath/mva/py_nnma/LICENSE include PyMca5/PyMcaMath/mva/py_nnma/README include PyMca5/PyMcaMath/PyMcaSciPy/signal/LICENSE.txt recursive-include PyMca5/PyMcaMisc *.py recursive-include PyMca5/PyMcaPhysics *.py recursive-include PyMca5/PyMcaPhysics/xas *.pyx *.pxd *.c *.h recursive-include PyMca5/PyMcaPlugins *.py recursive-include PyMca5/scripts * recursive-include PyMca5/tests *.py recursive-include third-party/qhull *.c *.h *.txt recursive-include third-party/khronos_headers *.h include third-party/fisx/changelog.txt include third-party/fisx/LICENSE include third-party/fisx/MANIFEST.in include third-party/fisx/README.rst include third-party/fisx/setup.py include third-party/fisx/TODO recursive-include third-party/fisx/fisx_data *.dat recursive-include third-party/fisx/python *.py *.pyx *.pxd *.cpp recursive-include third-party/fisx/src *.h *.cpp recursive-include scripts *.py *.bat recursive-include package * PyMca5-5.2.2/LICENSE.LGPL0000644000276300001750000005656713136054446014516 0ustar solebliss00000000000000 GNU LESSER GENERAL PUBLIC LICENSE Version 2.1, February 1999 Copyright (C) 1991, 1999 Free Software Foundation, Inc. 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA Everyone is permitted to copy and distribute verbatim copies of this license document, but changing it is not allowed. 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END OF TERMS AND CONDITIONS PyMca5-5.2.2/scripts/0000755000276300001750000000000013205526235014415 5ustar solebliss00000000000000PyMca5-5.2.2/scripts/elementsinfo.bat0000644000276300001750000000003713136054446017600 0ustar solebliss00000000000000@echo off python "%~dpn0" %* PyMca5-5.2.2/scripts/pymcapostbatch.bat0000644000276300001750000000003713136054446020131 0ustar solebliss00000000000000@echo off python "%~dpn0" %* PyMca5-5.2.2/scripts/pymca_win_post_install.py0000644000276300001750000001072113136054446021554 0ustar solebliss00000000000000#!python # # Copyright (C) 2004-2013 V. Armando Sole - ESRF # # Permission is hereby granted, free of charge, to any person # obtaining a copy of this software and associated documentation # files (the "Software"), to deal in the Software without # restriction, including without limitation the rights to use, # copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the # Software is furnished to do so, subject to the following # conditions: # # The above copyright notice and this permission notice shall be # included in all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, # EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES # OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND # NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT # HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, # WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING # FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR # OTHER DEALINGS IN THE SOFTWARE. # __license__ = "MIT" """Windows-specific part of the installation""" import os, sys, shutil def mkshortcut(target,description,link_file,*args,**kw): """make a shortcut if it doesn't exist, and register its creation""" create_shortcut(target, description, link_file,*args,**kw) file_created(link_file) def install(): """Routine to be run by the win32 installer with the -install switch.""" # Get some system constants prefix = sys.prefix # This does not show the console ... python = prefix + r'\pythonw.exe' # This shows it python_console = prefix + r'\python.exe' # Lookup path to common startmenu ... ip_dir = get_special_folder_path('CSIDL_COMMON_PROGRAMS') + r'\PyMca5' lib_dir = prefix+'\Lib\site-packages\PyMca5' if not os.path.isdir(ip_dir): os.mkdir(ip_dir) directory_created(ip_dir) # Create program shortcuts ... name = 'PyMcaMain' script = '"'+lib_dir+r'\%s.py"'%name fname = 'PyMca' f = ip_dir + r'\%s.lnk' % fname mkshortcut(python_console,name,f,script, "%HOMEDRIVE%%HOMEPATH%") name = 'PyMcaMain' script = '"'+lib_dir+r'\%s.py" -f'%name fname = 'PyMca Fresh Start' f = ip_dir + r'\%s.lnk' % fname mkshortcut(python_console,name,f,script, "%HOMEDRIVE%%HOMEPATH%") name = 'EdfFileSimpleViewer' script = '"'+lib_dir+r'\%s.py"'%name fname = 'EDF Viewer' f = ip_dir + r'\%s.lnk'%fname mkshortcut(python,name,f,script, "%HOMEDRIVE%%HOMEPATH%") name = 'ElementsInfo' script = '"'+lib_dir+r'\%s.py"'%name f = ip_dir + r'\%s.lnk'%name mkshortcut(python,name,f,script,"%HOMEDRIVE%%HOMEPATH%") name = 'Mca2Edf' script = '"'+lib_dir+r'\%s.py"'%name fname = 'Mca to Edf Converter' f = ip_dir + r'\%s.lnk'%fname mkshortcut(python,name,f,script,"%HOMEDRIVE%%HOMEPATH%") name = 'PeakIdentifier' script = '"'+lib_dir+r'\%s.py"'%name f = ip_dir + r'\%s.lnk'%name mkshortcut(python,name,f,script,"%HOMEDRIVE%%HOMEPATH%") name = 'PyMcaBatch' script = '"'+lib_dir+r'\%s.py"'%name f = ip_dir + r'\%s.lnk'%name mkshortcut(python_console,name,f,script,"%HOMEDRIVE%%HOMEPATH%") name = 'PyMcaPostBatch' script = '"'+lib_dir+r'\%s.py"'%name fname = 'RGB Correlator' f = ip_dir + r'\%s.lnk'%fname mkshortcut(python,name,f,script,"%HOMEDRIVE%%HOMEPATH%") name = 'QStackWidget' script = '"'+lib_dir+r'\%s.py"'%name fname = 'ROI Imaging Tool' f = ip_dir + r'\%s.lnk'%fname mkshortcut(python_console,name,f,script,"%HOMEDRIVE%%HOMEPATH%") name = 'QEDFStackWidget' script = '"'+lib_dir+r'\%s.py"'%name fname = 'ROI Imaging Tool(OLD)' f = ip_dir + r'\%s.lnk'%fname mkshortcut(python_console,name,f,script,"%HOMEDRIVE%%HOMEPATH%") name = 'ChangeLog' script = '"'+lib_dir+r'\%s.py" LICENSE.GPL'%name fname = 'License' f = ip_dir + r'\%s.lnk'%fname mkshortcut(python,name,f,script,"%HOMEDRIVE%%HOMEPATH%") # Create documentation shortcuts ... def remove(): """Routine to be run by the win32 installer with the -remove switch.""" pass # main() if len(sys.argv) > 1: if sys.argv[1] in ['-install', 'install']: install() elif sys.argv[1] in ['-remove', 'remove']: remove() else: print("Script was called with option %s" % sys.argv[1]) print("It has to be called with option -install or -remove") PyMca5-5.2.2/scripts/pymcabatch.bat0000644000276300001750000000003713136054446017223 0ustar solebliss00000000000000@echo off python "%~dpn0" %* PyMca5-5.2.2/scripts/peakidentifier.bat0000644000276300001750000000003713136054446020073 0ustar solebliss00000000000000@echo off python "%~dpn0" %* PyMca5-5.2.2/scripts/pymca.bat0000644000276300001750000000003713136054446016221 0ustar solebliss00000000000000@echo off python "%~dpn0" %* PyMca5-5.2.2/scripts/pymcaroitool.bat0000644000276300001750000000003713136054446017631 0ustar solebliss00000000000000@echo off python "%~dpn0" %* PyMca5-5.2.2/scripts/edfviewer.bat0000644000276300001750000000003713136054446017070 0ustar solebliss00000000000000@echo off python "%~dpn0" %* PyMca5-5.2.2/scripts/rgbcorrelator.bat0000644000276300001750000000003613136054446017756 0ustar solebliss00000000000000@echo off pymcapostbatch %* PyMca5-5.2.2/scripts/mca2edf.bat0000644000276300001750000000003713136054446016411 0ustar solebliss00000000000000@echo off python "%~dpn0" %* PyMca5-5.2.2/third-party/0000755000276300001750000000000013205526235015175 5ustar solebliss00000000000000PyMca5-5.2.2/setup.cfg0000644000276300001750000000004613205526235014547 0ustar solebliss00000000000000[egg_info] tag_build = tag_date = 0 PyMca5-5.2.2/qtconffile0000644000276300001750000000003613136054446015005 0ustar solebliss00000000000000[Paths] Prefix = Binaries = . PyMca5-5.2.2/LICENSE0000644000276300001750000000343013136054446013736 0ustar solebliss00000000000000 The PyMca X-Ray Fluorescence Toolkit is Copyright (C) 2004-2014 of the European Synchrotron Radiation Facility (ESRF). Unless otherways stated in the relevant accompanying source code, the default license of these modules is MIT. If you develop and distribute software using modules accessing Qt by means of Riverbank Computing PyQt4 or PyQt5, you will be conditioned by the license of your PyQt4/5 software (GPL or commercial). If you wish to be free of any distribution condition, you should be able to use PySide because it uses the LGPL license. If, despite its permisivity, the license accompanying any of the PyMca modules is not convenient for you, please contact industry@esrf.fr The MIT license follows: Copyright (c) 2004-2014 European Synchrotron Radiation Facility (ESRF) Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions: The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software. THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE. 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third-party/fisx/src/fisx_math.h third-party/fisx/src/fisx_multilayer.cpp third-party/fisx/src/fisx_shell.cpp third-party/fisx/src/fisx_shell.h third-party/fisx/src/fisx_simpleini.cpp third-party/fisx/src/fisx_simpleini.h third-party/fisx/src/fisx_simplespecfile.cpp third-party/fisx/src/fisx_simplespecfile.h third-party/fisx/src/fisx_version.cpp third-party/fisx/src/fisx_version.h third-party/fisx/src/fisx_xrf.cpp third-party/fisx/src/fisx_xrf.h third-party/fisx/src/fisx_xrfconfig.cpp third-party/fisx/src/fisx_xrfconfig.h third-party/khronos_headers/GL/glcorearb.h third-party/khronos_headers/GL/glext.h third-party/khronos_headers/GL/glxext.h third-party/khronos_headers/GL/wglext.h third-party/qhull/Announce.txt third-party/qhull/COPYING.txt third-party/qhull/REGISTER.txt third-party/qhull/src/geom.c third-party/qhull/src/geom.h third-party/qhull/src/geom2.c third-party/qhull/src/global.c third-party/qhull/src/io.c third-party/qhull/src/io.h third-party/qhull/src/libqhull.c third-party/qhull/src/libqhull.h third-party/qhull/src/mem.c third-party/qhull/src/mem.h third-party/qhull/src/merge.c third-party/qhull/src/merge.h third-party/qhull/src/poly.c third-party/qhull/src/poly.h third-party/qhull/src/poly2.c third-party/qhull/src/qhull_a.h third-party/qhull/src/qset.c third-party/qhull/src/qset.h third-party/qhull/src/random.c third-party/qhull/src/random.h third-party/qhull/src/stat.c third-party/qhull/src/stat.h third-party/qhull/src/user.c third-party/qhull/src/user.h third-party/qhull/src/usermem.c third-party/qhull/src/userprintf.cPyMca5-5.2.2/PyMca5.egg-info/top_level.txt0000644000276300001750000000000713205526235020245 0ustar solebliss00000000000000PyMca5 PyMca5-5.2.2/PyMca5.egg-info/dependency_links.txt0000644000276300001750000000000113205526235021564 0ustar solebliss00000000000000 PyMca5-5.2.2/PyMca5.egg-info/PKG-INFO0000644000276300001750000000237113205526235016616 0ustar solebliss00000000000000Metadata-Version: 1.1 Name: PyMca5 Version: 5.2.2 Summary: Mapping and X-Ray Fluorescence Analysis Home-page: http://pymca.sourceforge.net Author: V. Armando Sole Author-email: sole@esrf.fr License: MIT Download-URL: https://github.com/vasole/pymca/archive/v5.2.2.tar.gz Description: Stand-alone application and Python tools for interactive and/or batch processing analysis of X-Ray Fluorescence Spectra. Graphical user interface (GUI) and batch processing capabilities provided Platform: any Classifier: Development Status :: 5 - Production/Stable Classifier: Programming Language :: Python :: 2 Classifier: Programming Language :: Python :: 3 Classifier: Intended Audience :: Developers Classifier: Intended Audience :: End Users/Desktop Classifier: Intended Audience :: Science/Research Classifier: License :: OSI Approved :: MIT License Classifier: Topic :: Software Development :: Libraries :: Python Modules Classifier: Operating System :: Microsoft :: Windows Classifier: Operating System :: Unix Classifier: Operating System :: MacOS :: MacOS X Classifier: Operating System :: POSIX Classifier: Topic :: Scientific/Engineering :: Chemistry Classifier: Topic :: Scientific/Engineering :: Physics Classifier: Topic :: Scientific/Engineering :: Visualization PyMca5-5.2.2/py2app_setup.py0000755000276300001750000001130513205526205015733 0ustar solebliss00000000000000# # These Python modules have been developed by V.A. Sole, from the European # Synchrotron Radiation Facility (ESRF) to build a frozen version of PyMca. # Given the nature of this work, these module can be considered public domain. # Therefore redistribution and use in source and binary forms, with or without # modification, are permitted provided the following disclaimer is accepted: # # # THIS SOFTWARE IS PROVIDED BY THE AUTHOR(S) AND THE ESRF ``AS IS'' AND ANY # EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED # WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE # DISCLAIMED. IN NO EVENT SHALL THE AUTHOR(S) AND/OR THE ESRF BE LIABLE FOR ANY # DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES # (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; # LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND # ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT # (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS # SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. # """ Script for building the PyMca bundle. For a distributable application Platypus is needed Usage: python py2app_setup.py py2app """ try: from setuptools import setup except ImportError: from distutils.core import setup import py2app import os import sys #force a clean build os.system("/bin/rm -rf dist") os.system("/bin/rm -rf build") os.system("/bin/rm -rf *.pyc") BUNDLE_ICON = os.path.join(os.path.abspath('icons'), 'PyMca.icns') #obtain the current PyMca version from the source file ffile = open(os.path.join('PyMca5', '__init__.py'), 'r').readlines() for line in ffile: if line.startswith('__version__'): #remove spaces and split __version__ = "%s" % line.replace(' ','').split("=")[-1][:-1] #remove " or ' present __version__ = __version__[1:-1] break PyMcaInstallationDir = os.path.abspath("build") PyMcaDir = os.path.join(PyMcaInstallationDir, "PyMca5") #make sure PyMca is freshly built cmd = "setup.py install --distutils --install-lib %s --install-data %s --install-scripts /tmp/scripts" % \ (PyMcaInstallationDir, PyMcaInstallationDir) cmd = sys.executable + " " + cmd if os.system(cmd): print("Error building PyMca") sys.exit(1) # awful workaround because py2app picks PyMca form the source directory os.chdir(PyMcaInstallationDir) sys.path.insert(0, PyMcaInstallationDir) pymcapath = PyMcaDir application=os.path.join(pymcapath, 'PyMcaGui','pymca', "PyMcaMain.py") #The options below are equivalent to running from the command line #python py2app_setup.py py2app --packages=matplotlib,ctypes,h5py,Object3D #probably matplotlib and PyOpenGL are properly detected by py2app PACKAGES = ['fisx', 'OpenGL','ctypes','matplotlib', 'h5py','hdf5plugin','logging', 'PyMca5'] try: import PyQt4.Qt except ImportError: print("Using PyQt5") PACKAGES.append("PyQt5") import silx PACKAGES.append("silx") try: import mdp PACKAGES.append('mdp') except: pass try: import pyopencl PACKAGES.append('pyopencl') except: pass PY2APP_OPTIONS = {'packages':PACKAGES} if "PyQt5" in PACKAGES: PY2APP_OPTIONS['qt_plugins'] = ["cocoa"] if os.path.exists(BUNDLE_ICON): PY2APP_OPTIONS['iconfile'] = BUNDLE_ICON else: BUNDLE_ICON = None PY2APP_OPTIONS["excludes"] = ["scipy"] if sys.version.startswith("2"): PY2APP_OPTIONS["excludes"].append("PyQt4.uic.port_v3") PY2APP_OPTIONS["excludes"].append("PyQt5.uic.port_v3") setup( app=[application], options={'py2app':PY2APP_OPTIONS} ) # move to the proper place os.system("mv -f ./dist ../dist") os.chdir(os.path.dirname(PyMcaInstallationDir)) #Command line call to Platypus ... platypusFile = '/usr/local/bin/platypus' if os.path.exists(platypusFile): import subprocess args = [platypusFile, '-R', '-a', 'PyMca%s' % __version__, '-o', 'Progress Bar', '-p', '/bin/bash', '-V', '%s' % __version__, '-I', 'ESRF.sole.PyMca%s' % __version__, '-y', #force overwrite '-f', os.path.join(os.getcwd(),'dist', 'PyMcaMain.app')] if BUNDLE_ICON is not None: args.append('-i') args.append(BUNDLE_ICON) args.append(os.path.join(os.getcwd(), 'PlatypusScript')) process = subprocess.call(args) py2app_bundle = os.path.join(os.getcwd(), 'PyMca%s.app' % __version__, "Contents", "Resources", "PyMcaMain.app") if not os.path.exists(py2app_bundle): print("Forcing copy") os.system("cp -R ./dist/PyMcaMain.app "+ os.path.dirname(py2app_bundle)) PyMca5-5.2.2/copyright0000644000276300001750000002513013203352103014647 0ustar solebliss00000000000000Format: https://www.debian.org/doc/packaging-manuals/copyright-format/1.0/ Upstream-Name: PyMCA Upstream-Contact: V. Armando Sole Files-Excluded: PyMca5/PyMcaMath/sift third-party/qhull third-party/fisx third-party/khronos_headers Files: * Copyright: 2004-2013 European Synchrotron Radiation Facility License: Expat Files: PyMca5/* Copyright: 2002, 2004-2015, European Synchrotron Radiation Facility License: Expat Files: PyMca5/Object3D/* Copyright: 2004-2013 European Synchrotron Radiation Facility License: LGPL-2+ Files: PyMca5/Object3D/Object3DCTools/* Copyright: 2004-2015, Cory Bloyd (corysama@yahoo.com) License: Expat Files: PyMca5/Object3D/Object3DCTools/Object3DCTools.c PyMca5/Object3D/Object3DCTools/setup.py Copyright: 2004-2015, V.A. Sole, European Synchrotron Radiation Facility License: Expat Files: PyMca5/Object3D/Object3DQhull/* Copyright: 2004-2014 European Synchrotron Radiation Facility (ESRF) License: Expat Files: PyMca5/Object3D/Object3DQhull/Object3DQhull.c Copyright: 2004-2015, V.A. Sole, European Synchrotron Radiation Facility License: LGPL-2+ Files: PyMca5/Object3D/scripts/* Copyright: 2002, 2004-2015, European Synchrotron Radiation Facility License: Expat Files: PyMca5/PyMca/* Copyright: 2004-2015, V.A. Sole, European Synchrotron Radiation Facility License: Expat Files: PyMca5/PyMcaCore/XiaCorrect.py Copyright: 2004-2014, E. Papillon, European Synchrotron Radiation Facility License: Expat Files: PyMca5/PyMcaData/* Copyright: 2004-2014 European Synchrotron Radiation Facility (ESRF) License: Expat Files: PyMca5/PyMcaGraph/ctools/_ctools/include/InsidePolygonWithBounds.h Copyright: Paul Bourke License: Expat Files: PyMca5/PyMcaGraph/ctools/_ctools/src/InsidePolygonWithBounds.c Copyright: Paul Bourke License: Expat Files: PyMca5/PyMcaGui/* Copyright: 2004-2014 European Synchrotron Radiation Facility (ESRF) License: Expat Files: PyMca5/PyMcaGui/io/QEdfFileWidget.py PyMca5/PyMcaGui/io/QSpsWidget.py PyMca5/PyMcaGui/io/SpecFileCntTable.py PyMca5/PyMcaGui/io/SpecFileMcaTable.py Copyright: 2004-2015, E. Papillon, V.A. Sole, European Synchrotron Radiation Facility License: Expat Files: PyMca5/PyMcaGui/io/QSpecFileWidget.py Copyright: 2004-2014, E. Papillon, V.A. Sole, European Synchrotron Radiation Facility / < other.text) License: Expat Files: PyMca5/PyMcaGui/io/hdf5/HDF5Widget.py Copyright: 2004-2014, V.A. Sole, ESRF - D. Dale CHESS License: Expat Files: PyMca5/PyMcaGui/misc/QIPythonWidget.py Copyright: no-info-found License: Expat Files: PyMca5/PyMcaGui/physics/* Copyright: 2002, 2004-2015, European Synchrotron Radiation Facility License: Expat Files: PyMca5/PyMcaGui/plotting/ImageView.py PyMca5/PyMcaGui/plotting/_ImageProfile.py Copyright: 2002, 2004-2015, European Synchrotron Radiation Facility License: Expat Files: PyMca5/PyMcaGui/pymca/PyMca_help.py Copyright: 2004-2015, E. Papillon, V.A. Sole, European Synchrotron Radiation Facility License: Expat Files: PyMca5/PyMcaGui/pymca/StackROIBatchWindow.py PyMca5/PyMcaGui/pymca/StackXASBatchWindow.py Copyright: 2002, 2004-2015, European Synchrotron Radiation Facility License: Expat Files: PyMca5/PyMcaGui/pymca/SumRulesTool.py PyMca5/PyMcaGui/pymca/XMCDWindow.py Copyright: 2004-2015, T. Rueter, European Synchrotron Radiation Facility License: Expat Files: PyMca5/PyMcaGui/pymca/XiaCorrectWizard.py Copyright: 2004-2014, E. Papillon, European Synchrotron Radiation Facility License: Expat Files: PyMca5/PyMcaIO/MEDFile.py Copyright: 2010, Matthew Newville, The University of Chicago License: Expat Files: PyMca5/PyMcaIO/PyMcaIOHelper/* Copyright: 2004-2015, V.A. Sole, European Synchrotron Radiation Facility License: Expat Files: PyMca5/PyMcaIO/specfile/* Copyright: 2004-2013 European Synchrotron Radiation Facility License: LGPL-2+ Files: PyMca5/PyMcaIO/specfile/include/locale_management.h Copyright: 2004-2015, European Synchrotron Radiation Facility License: LGPL-2+ Files: PyMca5/PyMcaIO/specfile/setup.py Copyright: 2002, 2004-2015, European Synchrotron Radiation Facility License: Expat Files: PyMca5/PyMcaIO/specfile/src/* Copyright: 2004-2015, European Synchrotron Radiation Facility License: LGPL-2+ Files: PyMca5/PyMcaIO/sps/Include/* Copyright: 1998-2015, European Synchrotron Radiation Facility (ESRF) License: Expat Files: PyMca5/PyMcaIO/sps/Include/spec_shm.h Copyright: 1995-2010, Certified Scientific Software License: Expat Files: PyMca5/PyMcaIO/sps/Include/sps.h Copyright: 1998-2013, Certified Scientific Software (CSS) 1998-2011, European Synchrotron Radiation Facility (ESRF) License: Expat Files: PyMca5/PyMcaIO/sps/Include/sps_lut.h Copyright: 2004-2009, European Synchrotron Radiation Facility License: GPL-2+ Files: PyMca5/PyMcaIO/sps/Src/sps.c Copyright: 1998-2013, Certified Scientific Software (CSS) 1998-2011, European Synchrotron Radiation Facility (ESRF) License: Expat Files: PyMca5/PyMcaIO/sps/Src/sps_py.c Copyright: 1998-2015, European Synchrotron Radiation Facility (ESRF) License: Expat Files: PyMca5/PyMcaMath/PyMcaSciPy/* Copyright: 1999-2005 Travis Oliphant 2001-2002 Enthought, Inc. 2002 Eric Jones 2002 Patrick J. Miller 2002-2003 Jochen Kuepper 2002-2004 Pearu Peterson 2002-2005 Jean-Sebastien Roy 2003-2005 Peter J. Verveer 2003-2006 Ed Schofield 2003-2012 SciPy Developers. 2004 David M. Cooke 2006 Bart Vandereycken 2006 BasSw 2006 Johannes Loehnert 2007 Andrew D Straw 2007 John Travers, Robert Hetland 2007-2008 Damian Eads 2008 Tiziano Zito Gary Strangman 2010 Pauli Virtanen 2010, 2011 Pim Schellart 2009 Yosef Meller License: BSD-3-clause Files: PyMca5/PyMcaMath/PyMcaSciPy/signal/__init__.py PyMca5/PyMcaMath/PyMcaSciPy/signal/median.py Copyright: 2002, 2004-2015, European Synchrotron Radiation Facility License: Expat Files: PyMca5/PyMcaMath/SGModule.py Copyright: 2008, Uwe Schmitt License: Expat Files: PyMca5/PyMcaMath/mva/NNMAModule.py Copyright: 2008, 2009, Uwe Schmitt, uschmitt@mineway.de License: BSD-3-clause Files: PyMca5/PyMcaMath/mva/py_nnma/* Copyright: 2008 Uwe Schmitt, uschmitt@mineway.de, 2007 D. Kim, S. Sra and I. S. Dhillon License: BSD-3-clause Files: PyMca5/PyMcaPlugins/* Copyright: 2004-2015, V.A. Sole, European Synchrotron Radiation Facility License: Expat Files: PyMca5/PyMcaPlugins/AdvancedAlignmentScanPlugin.py Copyright: 2004-2014, T. Rueter, V.A. Sole, European Synchrotron Radiation Facility License: Expat Files: PyMca5/PyMcaPlugins/MedianFilterScanDeglitchPlugin.py Copyright: 2004-2015, T.Rueter, European Synchrotron Radiation Facility License: Expat Files: PyMca5/PyMcaPlugins/MotorInfoPlugin.py PyMca5/PyMcaPlugins/MotorInfoWindow.py PyMca5/PyMcaPlugins/XMCDPlugin.py Copyright: 2004-2015, T. Rueter, European Synchrotron Radiation Facility License: Expat Files: PyMca5/PyMcaPlugins/MultipleScanToMeshPlugin.py Copyright: 2004-2014, M. Rovezzi, V.A. Sole European Synchrotron Radiation Facility License: Expat Files: PyMca5/PyMcaPlugins/optional/* Copyright: 2002, 2004-2015, European Synchrotron Radiation Facility License: Expat Files: PyMca5/PyMcaPlugins/optional/TaurusPlugin1D.py Copyright: 2004-2015, V.A. Sole, T. Coutinho, European Synchrotron Radiation Facility License: Expat Files: PyMca5/__init__.py Copyright: 2004-2015, V.A. Sole, European Synchrotron Radiation Facility License: Expat Files: debian/* Copyright: 2009-2010 Teemu Ikonen 2010-2015 Picca Frederic-Emmanuel License: GPL-2+ Files: scripts/* Copyright: 2004-2013, V. Armando Sole - ESRF License: Expat License: BSD-3-clause Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: . a. Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. b. Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. c. Neither the name of Enthought nor the names of the SciPy Developers may be used to endorse or promote products derived from this software without specific prior written permission. . . THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIEED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE REGENTS OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIEED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. License: Expat Permission is hereby granted, free of charge, to any person obtaining a copy of the software in these files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions: . The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software. . THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIExpatED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE. License: GPL-2+ This toolkit is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. . In Debian systems, the GNU General Public License version 2 can be found at /usr/share/common-licenses/GPL-2 License: LGPL-2+ This toolkit is free software; you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. . In Debian systems, the GNU General Public License version 2 can be found at /usr/share/common-licenses/LGPL-2 PyMca5-5.2.2/PyMca5/0000755000276300001750000000000013205526235014024 5ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/tests/0000755000276300001750000000000013205526235015166 5ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/tests/ElementsTest.py0000644000276300001750000003154113136054446020163 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import unittest import os import numpy DEBUG = 0 class testElements(unittest.TestCase): ELEMENTS = ['H', 'He', 'Li', 'Be', 'B', 'C', 'N', 'O', 'F', 'Ne', 'Na', 'Mg', 'Al', 'Si', 'P', 'S', 'Cl', 'Ar', 'K', 'Ca', 'Sc', 'Ti', 'V', 'Cr', 'Mn', 'Fe', 'Co', 'Ni', 'Cu', 'Zn', 'Ga', 'Ge', 'As', 'Se', 'Br', 'Kr', 'Rb', 'Sr', 'Y', 'Zr', 'Nb', 'Mo', 'Tc', 'Ru', 'Rh', 'Pd', 'Ag', 'Cd', 'In', 'Sn', 'Sb', 'Te', 'I', 'Xe', 'Cs', 'Ba', 'La', 'Ce', 'Pr', 'Nd', 'Pm', 'Sm', 'Eu', 'Gd', 'Tb', 'Dy', 'Ho', 'Er', 'Tm', 'Yb', 'Lu', 'Hf', 'Ta', 'W', 'Re', 'Os', 'Ir', 'Pt', 'Au', 'Hg', 'Tl', 'Pb', 'Bi', 'Po', 'At', 'Rn', 'Fr', 'Ra', 'Ac', 'Th', 'Pa', 'U', 'Np', 'Pu', 'Am', 'Cm', 'Bk', 'Cf', 'Es', 'Fm', 'Md', 'No', 'Lr', 'Rf', 'Db', 'Sg', 'Bh', 'Hs', 'Mt'] def setUp(self): """ Get the data directory """ try: from PyMca5 import PyMcaDataDir self.dataDir = PyMcaDataDir.PYMCA_DATA_DIR except: self.dataDir = None from PyMca5.PyMcaPhysics import Elements self._elements = Elements def testDataDirectoryPresence(self): # Testing directory presence try: self.assertTrue(self.dataDir is not None) self.assertTrue(os.path.exists(self.dataDir)) self.assertTrue(os.path.isdir(self.dataDir)) except: print("\n Cannot find PyMcaData directory: %s" % self.dataDir) raise def testPeakIdentification(self): # energy in keV energy = 5.9 # 10 eV threshold threshold = 0.010 lines = self._elements.getcandidates(energy, threshold=threshold, targetrays=['K']) self.assertTrue(len(lines[0]['elements']) == 1) self.assertTrue(lines[0]['energy'] == energy) self.assertTrue(lines[0]['elements'][0] == 'Mn') energy = 10.550 threshold = 0.030 lines = self._elements.getcandidates(energy, threshold=threshold, targetrays=['K']) self.assertTrue(len(lines[0]['elements']) == 1) self.assertTrue(lines[0]['energy'] == energy) self.assertTrue('As' in lines[0]['elements']) self.assertTrue('Pb' not in lines[0]['elements']) # Test K and L lines lines = self._elements.getcandidates(energy, threshold=threshold, targetrays=['K', 'L']) self.assertTrue(len(lines[0]['elements']) > 1) self.assertTrue('As' in lines[0]['elements']) self.assertTrue('Pb' in lines[0]['elements']) # Test all energy = 2.280 threshold = 0.030 lines = self._elements.getcandidates(energy, threshold=threshold) self.assertTrue(len(lines[0]['elements']) > 1) self.assertTrue('As' not in lines[0]['elements']) self.assertTrue('Pb' not in lines[0]['elements']) self.assertTrue('S' in lines[0]['elements']) self.assertTrue('Hg' in lines[0]['elements']) def testElementCrossSectionsReadout(self): if DEBUG: print() print("Test XCOM Cross Sections Readout") from PyMca5 import getDataFile from PyMca5.PyMcaIO import specfile xcomFile = getDataFile('XCOM_CrossSections.dat') sf = specfile.Specfile(xcomFile) for ele in ['Si', 'Fe', 'Pb', 'U']: if DEBUG: print("Testing element %s" % ele) z = self._elements.getz(ele) scan = sf[z-1] xcomLabels = scan.alllabels() self.assertTrue('ENERGY' in xcomLabels[0].upper()) self.assertTrue('COHERENT' in xcomLabels[1].upper()) self.assertTrue('COMPTON' in xcomLabels[2].upper()) self.assertTrue('PHOTO' in xcomLabels[-3].upper()) self.assertTrue('PAIR' in xcomLabels[-2].upper()) self.assertTrue('TOTAL' in xcomLabels[-1].upper()) xcomData = scan.data() # WARNING: This call is to read XCOM data # only in case energy is None the data are the same as # those found later on in the 'xcom' key of the element. data = self._elements.getelementmassattcoef(ele, energy=None) # The original data are in the xcom key data = self._elements.Element[ele]['xcom'] # Energy grid self.assertTrue(numpy.allclose(data['energy'], xcomData[0, :])) # Test the different cross sections self.assertTrue(numpy.allclose(data['coherent'], xcomData[1, :])) self.assertTrue(numpy.allclose(data['compton'], xcomData[2, :])) self.assertTrue(numpy.allclose(data['photo'], xcomData[-3, :])) self.assertTrue(numpy.allclose(data['pair'], xcomData[-2, :])) self.assertTrue(numpy.allclose(data['total'], xcomData[-1, :])) total = xcomData[1, :] + xcomData[2, :] +\ xcomData[-3, :] + xcomData[-2, :] # Check the total is self-consistent self.assertTrue(numpy.allclose(total, xcomData[-1, :])) def getCrossSections(self, element, energy): # perform log-log interpolation in the read data # to see if we get the same results # now perform a log-log interpolation when needed # lin-lin interpolation: # # y0 (x1-x) + y1 (x-x0) # y = ------------------------- # x1 - x0 # # log-log interpolation: # # log(y0) * log(x1/x) + log(y1) * log(x/x0) # log(y) = ------------------------------------------ # log (x1/x0) # log = numpy.log10 # make sure data for the element are loaded # the test for proper loading is made somewhere else self._elements.getelementmassattcoef(element) # and work with them xcomData = self._elements.Element[element]['xcom'] i0 = numpy.nonzero(xcomData['energy'] <= energy)[0].max() i1 = numpy.nonzero(xcomData['energy'] >= energy)[0].min() x = numpy.array(energy) x0 = xcomData['energy'][i0] x1 = xcomData['energy'][i1] ddict = {} total = 0.0 for key in ['coherent', 'compton', 'photo']: y0 = xcomData[key][i0] y1 = xcomData[key][i1] if x1 != x0: logy = (log(y0) * log(x1/x) + log(y1) * log(x/x0))\ /log(x1/x0) y = pow(10.0, logy) else: y = y1 ddict[key] = y total += y ddict['total'] = total return ddict def testElementCrossSectionsCalculation(self): if DEBUG: print() print("Testing Element Mass Attenuation Cross Sections Calculation") for ele in ['Ge', 'Mn', 'Au', 'U']: if DEBUG: print("Testing element = %s" % ele) # take a set of energies not present in the grid energyList = [1.0533, 2.03166, 5.82353, 10.3123, 24.7431] data = self._elements.getelementmassattcoef(ele, energy=energyList) energyIndex = 0 for x in energyList: if DEBUG: print("Testing energy %f" % x) refData = self.getCrossSections(ele, x) for key in ['coherent', 'compton', 'photo', 'total']: if DEBUG: print("Testing key = %s" % key) yRef = refData[key] yTest = data[key][energyIndex] self.assertTrue((100.0 * abs(yTest-yRef)/yRef) < 0.01) energyIndex += 1 def testMaterialCrossSectionsCalculation(self): if DEBUG: print() print("Testing Material Mass Attenuation Cross Sections Calculation") formulae = ['H2O1', 'Hg1S1', 'Ca1C1O3'] unpackedFormulae = [(('H', 2), ('O', 1)), (('Hg', 1), ('S', 1)), (('Ca', 1), ('C', 1.0), ('O', 3.0))] for i in range(len(unpackedFormulae)): if DEBUG: print("Testing formula %s" % formulae[i]) # calculate mass fractions totalMass = 0.0 massFractions = numpy.zeros((len(unpackedFormulae[i]),), numpy.float) j = 0 for ele, amount in unpackedFormulae[i]: tmpValue = amount * self._elements.Element[ele]['mass'] totalMass += tmpValue massFractions[j] = tmpValue j += 1 massFractions /= totalMass # the list of energies energyList = [1.5, 3.33, 10., 20.4, 30.6, 90.33] # get the data to be checked data = self._elements.getmassattcoef(formulae[i], energyList) energyIndex = 0 for energy in energyList: if DEBUG: print("Testing energy %f" % energy) # initialize reference data refData = {} for key in ['coherent', 'compton', 'photo', 'total']: refData[key] = 0.0 # calculate reference data for j in range(len(unpackedFormulae[i])): ele = unpackedFormulae[i][j][0] tmpData = self.getCrossSections(ele, energy) for key in ['coherent', 'compton', 'photo', 'total']: refData[key] += tmpData[key] * massFractions[j] # test for key in ['coherent', 'compton', 'photo', 'total']: if DEBUG: print("Testing key %s" % key) yRef = refData[key] yTest = data[key][energyIndex] self.assertTrue((100.0 * abs(yTest-yRef)/yRef) < 0.01) energyIndex += 1 def getSuite(auto=True): testSuite = unittest.TestSuite() if auto: testSuite.addTest(\ unittest.TestLoader().loadTestsFromTestCase(testElements)) else: testSuite.addTest(testElements("testDataDirectoryPresence")) testSuite.addTest(testElements("testPeakIdentification")) testSuite.addTest(testElements("testElementCrossSectionsReadout")) testSuite.addTest(testElements("testElementCrossSectionsCalculation")) testSuite.addTest(testElements("testMaterialCrossSectionsCalculation")) return testSuite def test(auto=False): unittest.TextTestRunner(verbosity=2).run(getSuite(auto=auto)) if __name__ == '__main__': DEBUG = 1 test() PyMca5-5.2.2/PyMca5/tests/ConfigDictTest.py0000644000276300001750000001146513136054446020423 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import unittest import sys import os import gc import tempfile class testConfigDict(unittest.TestCase): def setUp(self): """ import the module """ try: from PyMca5.PyMcaIO import ConfigDict self._module = ConfigDict except: self._module = None self._tmpFileName = None def tearDown(self): """clean up any possible files""" gc.collect() if self._tmpFileName is not None: if os.path.exists(self._tmpFileName): os.remove(self._tmpFileName) def testConfigDictImport(self): #"""Test successful import""" self.assertTrue(self._module is not None,\ "Unsuccessful PyMca.ConfigDict import") def testConfigDictIO(self): # create a dictionnary from PyMca5.PyMcaIO import ConfigDict testDict = {} testDict['simple_types'] = {} testDict['simple_types']['float'] = 1.0 testDict['simple_types']['int'] = 1 testDict['simple_types']['string'] = "Hello World" testDict['containers'] = {} testDict['containers']['list'] = [-1, 'string', 3.0] if ConfigDict.USE_NUMPY: import numpy testDict['containers']['array'] = numpy.array([1.0, 2.0, 3.0]) testDict['containers']['dict'] = {'key1': 'Hello World', 'key2': 2.0} tmpFile = tempfile.mkstemp(text=False) os.close(tmpFile[0]) self._tmpFileName = tmpFile[1] writeInstance = ConfigDict.ConfigDict(initdict=testDict) writeInstance.write(self._tmpFileName) #read the data back readInstance = ConfigDict.ConfigDict() readInstance.read(self._tmpFileName) # get read key list testDictKeys = list(testDict.keys()) readKeys = list(readInstance.keys()) self.assertTrue(len(readKeys) == len(testDictKeys), "Number of read keys not equal to number of written keys") topKey = 'simple_types' for key in testDict[topKey]: original = testDict[topKey][key] read = readInstance[topKey][key] self.assertTrue( read == original, "Read <%s> instead of <%s>" % (read, original)) topKey = 'containers' for key in testDict[topKey]: original = testDict[topKey][key] read = readInstance[topKey][key] if key == 'array': self.assertTrue( read.all() == original.all(), "Read <%s> instead of <%s>" % (read, original)) else: self.assertTrue( read == original, "Read <%s> instead of <%s>" % (read, original)) def getSuite(auto=True): testSuite = unittest.TestSuite() if auto: testSuite.addTest(\ unittest.TestLoader().loadTestsFromTestCase(testConfigDict)) else: # use a predefined order testSuite.addTest(testConfigDict("testConfigDictImport")) testSuite.addTest(testConfigDict("testConfigDictIO")) return testSuite def test(auto=False): unittest.TextTestRunner(verbosity=2).run(getSuite(auto=auto)) if __name__ == '__main__': test() PyMca5-5.2.2/PyMca5/tests/__init__.py0000644000276300001750000000440613136054446017306 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import os if os.path.exists('PyMca5'): if os.path.exists('setup.py'): if os.path.exists('py2app_setup.py'): txt ='Tests cannnot be imported from top source directory' raise ImportError(txt) from PyMca5.tests.TestAll import main as testAll from PyMca5.tests.ConfigDictTest import test as testConfigDict from PyMca5.tests.EdfFileTest import test as testEdfFile from PyMca5.tests.ElementsTest import test as testElements from PyMca5.tests.GefitTest import test as testGefit from PyMca5.tests.PCAToolsTest import test as testPCATools from PyMca5.tests.SpecfileTest import test as testSpecfile from PyMca5.tests.specfilewrapperTest import test as testSpecfilewrapper PyMca5-5.2.2/PyMca5/tests/PCAToolsTest.py0000644000276300001750000002007113136054446020027 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import unittest import numpy import numpy.linalg try: import mdp MDP = True except: # MDP can give very weird errors MDP = False class testPCATools(unittest.TestCase): def testPCAToolsImport(self): from PyMca5.PyMcaMath.mva import PCATools def testPCAToolsCovariance(self): from PyMca5.PyMcaMath.mva.PCATools import getCovarianceMatrix x = numpy.array([[0.0, 2.0, 3.0], [3.0, 0.0, -1.0], [4.0, -4.0, 4.0], [4.0, 4.0, 4.0]]) nSpectra = x.shape[0] # test just multiplication tmpArray = numpy.dot(x.T, x) for force in [True, False]: pymcaCov, pymcaAvg, nData = getCovarianceMatrix(x, force=force, center=False) self.assertTrue(numpy.allclose(tmpArray, pymcaCov * (nData - 1))) # calculate covariance using numpy numpyCov = numpy.cov(x.T) numpyAvg = x.sum(axis=0).reshape(-1, 1) / nSpectra tmpArray = x.T - numpyAvg numpyCov2 = numpy.dot(tmpArray, tmpArray.T) / nSpectra numpyAvg = numpyAvg.reshape(1, -1) # calculate covariance using PCATools and 2D stack # directly and dynamically loading data for force in [False, True]: pymcaCov, pymcaAvg, nData = getCovarianceMatrix(x, force=force, center=True) self.assertTrue(numpy.allclose(numpyCov, pymcaCov)) self.assertTrue(numpy.allclose(numpyAvg, pymcaAvg)) self.assertTrue(nData == nSpectra) # calculate covariance using PCATools and 3D stack # directly and dynamically loading data x.shape = 2, 2, -1 for force in [False, True]: pymcaCov, pymcaAvg, nData = getCovarianceMatrix(x, force=force, center=True) self.assertTrue(numpy.allclose(numpyCov, pymcaCov)) self.assertTrue(numpy.allclose(numpyAvg, pymcaAvg)) self.assertTrue(nData == nSpectra) def testPCAToolsPCA(self): from PyMca5.PyMcaMath.mva.PCATools import numpyPCA x = numpy.array([[0.0, 2.0, 3.0], [3.0, 0.0, -1.0], [4.0, -4.0, 4.0], [4.0, 4.0, 4.0]]) # that corresponds to 4 spectra of 3 channels nSpectra = x.shape[0] # calculate eigenvalues and eigenvectors with numpy tmpArray = numpy.dot(x.T, x)/(nSpectra - 1) numpyEigenvalues, numpyEigenvectors = numpy.linalg.eigh(tmpArray) # sort from higher to lower idx = list(range(numpyEigenvalues.shape[0]-1, -1 , -1)) numpyEigenvalues = numpy.take(numpyEigenvalues, idx) numpyEigenvectors = numpyEigenvectors[:, ::-1].T # now use PyMca # centering has to be false to obtain the same results for force in [True, False]: images, eigenvalues, eigenvectors = numpyPCA(x, ncomponents=x.shape[1], force=force, center=False, scale=False) self.assertTrue(numpy.allclose(eigenvalues, numpyEigenvalues)) self.assertTrue(numpy.allclose(eigenvectors, numpyEigenvectors)) # test with a different shape x.shape = 2, 2, -1 for force in [True, False]: images, eigenvalues, eigenvectors = numpyPCA(x, ncomponents=3, force=force, center=False, scale=False) self.assertTrue(numpy.allclose(eigenvalues, numpyEigenvalues)) self.assertTrue(numpy.allclose(eigenvectors, numpyEigenvectors)) if MDP: def testPCAToolsMDP(self): from PyMca5.PyMcaMath.mva.PCATools import getCovarianceMatrix, numpyPCA x = numpy.array([[0.0, 2.0, 3.0], [3.0, 0.0, -1.0], [4.0, -4.0, 4.0], [4.0, 4.0, 4.0]]) # use mdp pcaNode = mdp.nodes.PCANode() pcaNode.train(x) pcaNode.stop_training() pcaEigenvectors = pcaNode.v.T # and compare with PyMca for force in [True, False]: images, eigenvalues, eigenvectors = numpyPCA(x, ncomponents=x.shape[1], force=force, center=True, scale=False) # the eigenvalues must be the same self.assertTrue(numpy.allclose(eigenvalues, pcaNode.d)) # the eigenvectors can be multiplied by -1 for i in range(x.shape[1]): if (eigenvectors[i,0] >= 0 and pcaEigenvectors[i,0] >=0) or\ (eigenvectors[i,0] <= 0 and pcaEigenvectors[i,0] <=0): # both same sign self.assertTrue(numpy.allclose(eigenvectors[i], pcaEigenvectors[i])) else: self.assertTrue(numpy.allclose(-eigenvectors[i], pcaEigenvectors[i])) def getSuite(auto=True): testSuite = unittest.TestSuite() if auto: testSuite.addTest(\ unittest.TestLoader().loadTestsFromTestCase(testPCATools)) else: # use a predefined order testSuite.addTest(testPCATools("testPCAToolsImport")) testSuite.addTest(testPCATools("testPCAToolsCovariance")) testSuite.addTest(testPCATools("testPCAToolsPCA")) if MDP: testSuite.addTest(testPCATools("testPCAToolsMDP")) return testSuite def test(auto=False): unittest.TextTestRunner(verbosity=2).run(getSuite(auto=auto)) if __name__ == '__main__': test() PyMca5-5.2.2/PyMca5/tests/SpecfileTest.py0000644000276300001750000001436313136054446020144 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import unittest import sys import os import gc import tempfile class testSpecfile(unittest.TestCase): def setUp(self): """ import the module """ try: from PyMca5.PyMcaIO import specfile self.specfileClass = specfile except: self.specfileClass = None if self.specfileClass is not None: text = "#F \n" text += "\n" text += "#S 10 Undefined command 0\n" text += "#N 3\n" text += "#L First label Second label Third label\n" text += "10 100 1000\n" text += "20 400 8000\n" text += "30 900 270000\n" text += "\n" text += "#S 20 Undefined command 1\n" text += "#N 3\n" text += "#L First Second Third\n" text += "1.3 1 1\n" text += "2.5 4 8\n" text += "3.7 9 27\n" text += "\n" tmpFile = tempfile.mkstemp(text=False) if sys.version < '3.0': os.write(tmpFile[0], text) else: os.write(tmpFile[0], bytes(text, 'utf-8')) os.close(tmpFile[0]) self.fname = tmpFile[1] def tearDown(self): """clean up any possible files""" # make sure the file handle is free self._sf = None self._scan = None # this should free the handle gc.collect() if self.specfileClass is not None: if os.path.exists(self.fname): os.remove(self.fname) def testSpecfileImport(self): #"""Test successful import""" self.assertTrue(self.specfileClass is not None, 'Unsuccessful PyMca5.PyMcaIO.specfile import') def testSpecfileReading(self): #"""Test specfile readout""" self.testSpecfileImport() self._sf = self.specfileClass.Specfile(self.fname) # test the number of found scans self.assertEqual(len(self._sf), 2, 'Expected to read 2 scans, read %s' %\ len(self._sf)) self.assertEqual(self._sf.scanno(), 2, 'Expected to read 2 scans, got %s' %\ self._sf.scanno()) # test scan iteration selection method self._scan = self._sf[1] labels = self._scan.alllabels() expectedLabels = ['First', 'Second', 'Third'] self.assertEqual(len(labels), 3, 'Expected to read 3 scans, got %s' % len(labels)) for i in range(3): self.assertEqual(labels[i], expectedLabels[i], 'Read "%s" instead of "%s"' %\ (labels[i], expectedLabels[i])) # test scan number selection method self._scan = self._sf.select('20.1') labels = self._scan.alllabels() sf = None expectedLabels = ['First', 'Second', 'Third'] self.assertEqual(len(labels), 3, 'Expected to read 3 labels, got %s' % len(labels)) for i in range(3): self.assertEqual(labels[i], expectedLabels[i], 'Read "%s" instead of "%s"' %\ (labels[i], expectedLabels[i])) gc.collect() def testSpecfileReadingCompatibleWithUserLocale(self): #"""Test specfile compatible with C locale""" self.testSpecfileImport() self._sf = self.specfileClass.Specfile(self.fname) self._scan = self._sf[1] datacol = self._scan.datacol(1) data = self._scan.data() self._sf = None self.assertEqual(datacol[0], 1.3, 'Read %f instead of %f' %\ (datacol[0], 1.3)) self.assertEqual(datacol[1], 2.5, 'Read %f instead of %f' %\ (datacol[1], 2.5)) self.assertEqual(datacol[2], 3.7, 'Read %f instead of %f' %\ (datacol[2], 3.7)) self.assertEqual(datacol[1], data[0][1], 'Read %f instead of %f' %\ (datacol[1], data[0][1])) gc.collect() def getSuite(auto=True): testSuite = unittest.TestSuite() if auto: testSuite.addTest(\ unittest.TestLoader().loadTestsFromTestCase(testSpecfile)) else: # use a predefined order testSuite.addTest(testSpecfile("testSpecfileImport")) testSuite.addTest(testSpecfile("testSpecfileReading")) testSuite.addTest(\ testSpecfile("testSpecfileReadingCompatibleWithUserLocale")) return testSuite def test(auto=False): unittest.TextTestRunner(verbosity=2).run(getSuite(auto=auto)) if __name__ == '__main__': test() PyMca5-5.2.2/PyMca5/tests/specfilewrapperTest.py0000644000276300001750000001574213136054446021607 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import unittest import sys import os import gc import tempfile class testSpecfilewrapper(unittest.TestCase): def setUp(self): """ import the module """ try: from PyMca5.PyMcaIO import specfilewrapper as specfile self.specfileClass = specfile except: self.specfileClass = None if self.specfileClass is not None: text = "1.3 1 1\n" text += "2.5 4 8\n" text += "3.7 9 27\n" text += "\n" tmpFile = tempfile.mkstemp(text=False) if sys.version < '3.0': os.write(tmpFile[0], text) else: os.write(tmpFile[0], bytes(text, 'utf-8')) os.close(tmpFile[0]) self.fname = tmpFile[1] def tearDown(self): """clean up any possible files""" # make sure the file handle is free self._sf = None self._scan = None # this should free the handle gc.collect() if self.specfileClass is not None: if os.path.exists(self.fname): os.remove(self.fname) def testSpecfilewrapperImport(self): #"""Test successful import""" self.assertTrue(self.specfileClass is not None, 'Unsuccessful PyMca5.PyMcaIO.specfilewrapper import') def testSpecfilewrapperReading(self): #"""Test specfile readout""" self.testSpecfilewrapperImport() self._sf = self.specfileClass.Specfile(self.fname) # test the number of found scans self.assertEqual(len(self._sf), 2, 'Expected to read 2 scans, read %s' %\ len(self._sf)) self.assertEqual(self._sf.scanno(), 2, 'Expected to read 2 scans, got %s' %\ self._sf.scanno()) # test scan iteration selection method self._scan = self._sf[0] labels = self._scan.alllabels() expectedLabels = ['Point', 'Column 0', 'Column 1', 'Column 2'] self.assertEqual(len(labels), 4, 'Expected to read 4 labels, got %s' % len(labels)) for i in range(3): self.assertEqual(labels[i], expectedLabels[i], 'Read "%s" instead of "%s"' %\ (labels[i], expectedLabels[i])) # test scan number selection method self._scan = self._sf.select('1.1') labels = self._scan.alllabels() expectedLabels = ['Point', 'Column 0', 'Column 1', 'Column 2'] self.assertEqual(len(labels), 4, 'Expected to read 4 labels, got %s' % len(labels)) for i in range(3): self.assertEqual(labels[i], expectedLabels[i], 'Read "%s" instead of "%s"' %\ (labels[i], expectedLabels[i])) # test scan number of mca self._scan = self._sf[0] nbmca = self._scan.nbmca() self.assertEqual(nbmca, 0, 'Expected to read 0 mca, got %s' % nbmca) self._scan = self._sf[1] nbmca = self._scan.nbmca() self.assertEqual(nbmca, 3, 'Expected to read 3 mca, got %s' % nbmca) def testSpecfilewrapperReadingCompatibleWithUserLocale(self): #"""Test specfile compatible with C locale""" self.testSpecfilewrapperImport() self._sf = self.specfileClass.Specfile(self.fname) self._scan = self._sf[0] datacol = self._scan.datacol(2) data = self._scan.data() self._sf = None self.assertEqual(datacol[0], 1.3, 'Read %f instead of %f' %\ (datacol[0], 1.3)) self.assertEqual(datacol[1], 2.5, 'Read %f instead of %f' %\ (datacol[1], 2.5)) self.assertEqual(datacol[2], 3.7, 'Read %f instead of %f' %\ (datacol[2], 3.7)) self.assertEqual(datacol[1], data[1][1], 'Read %f instead of %f' %\ (datacol[1], data[1][1])) gc.collect() def testTrainingSpectrumReading(self): from PyMca5 import PyMcaDataDir import numpy fname = os.path.join(PyMcaDataDir.PYMCA_DATA_DIR, 'XRFSpectrum.mca') self._sf = self.specfileClass.Specfile(fname) self._scan = self._sf[0] # I find awful that starts counting at 1 # 1 is the point number # 2 is the actual spectal data datacol = self._scan.datacol(2) self._scan = self._sf[1] # The "second" scan is the readout as mca mca = self._scan.mca(1) self.assertTrue(numpy.alltrue(datacol == mca)) def getSuite(auto=True): testSuite = unittest.TestSuite() if auto: testSuite.addTest(\ unittest.TestLoader().loadTestsFromTestCase(testSpecfilewrapper)) else: # use a predefined order testSuite.addTest(testSpecfilewrapper("testSpecfilewrapperImport")) testSuite.addTest(testSpecfilewrapper("testSpecfilewrapperReading")) testSuite.addTest(\ testSpecfilewrapper(\ "testSpecfilewrapperReadingCompatibleWithUserLocale")) testSuite.addTest(testSpecfilewrapper("testTrainingSpectrumReading")) return testSuite def test(auto=False): unittest.TextTestRunner(verbosity=2).run(getSuite(auto=auto)) if __name__ == '__main__': test() PyMca5-5.2.2/PyMca5/tests/StackBaseTest.py0000644000276300001750000002157313136054446020253 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import unittest import numpy class DummyArray(object): def __init__(self, data): """ This class forces ROI and spectra calculation to be performed as it is made for a dynamically loaded array. This allows detection of the PyMca bug track issue 3544665 """ self.data = numpy.array(data, copy=False) def __getitem__(self, *var): if len(var) == 1: return self.data[var[0]] elif len(var) == 2: return self.data[var[0], var[1]] elif len(var) == 3: return self.data[var[0], var[1], var[2]] def getShape(self): return self.data.shape def getDType(self): return self.data.dtype def getSize(self): s = 1 for item in self.__shape: s *= item return s shape = property(getShape) dtype = property(getDType) size = property(getSize) class testStackBase(unittest.TestCase): def testStackBaseImport(self): from PyMca5.PyMcaCore import StackBase def testStackBaseStack1DDataHandling(self): from PyMca5.PyMcaCore import StackBase nrows = 50 ncolumns = 100 nchannels = 500 a = numpy.ones((nrows, ncolumns), numpy.float) referenceData = numpy.zeros((nrows, ncolumns, nchannels), numpy.float) for i in range(nchannels): referenceData[:, :, i] = a * i a = None mask = numpy.zeros((nrows, ncolumns), numpy.uint8) mask[20:30, 15:50] = 1 dummyArray = DummyArray(referenceData) defaultMca = referenceData.sum(axis=0, dtype=numpy.float64).sum(axis=0) maskedMca = referenceData[mask>0, :].sum(axis=0) for fileindex in [0, 1]: #usually only one file index case is used but #we test both to have a better coverage j = 0 for data in [referenceData, dummyArray]: if j == 0: dynamic = "" j = 1 else: dynamic = "dynamic " stackBase = StackBase.StackBase() stackBase.setStack(data, mcaindex=2, fileindex=fileindex) channels, counts = stackBase.getActiveCurve()[0:2] self.assertTrue(numpy.allclose(defaultMca, counts), "Incorrect %sdefault mca" % dynamic) # set mask stackBase.setSelectionMask(mask) self.assertTrue(numpy.allclose(stackBase.getSelectionMask(), mask), "Incorrect mask set and get") # get mca from mask mcaDataObject = stackBase.calculateMcaDataObject() self.assertTrue(numpy.allclose(mcaDataObject.y[0], maskedMca), "Incorrect %smca from mask calculation" % dynamic) #get image from roi i0 = 100 imiddle = 200 i1 = 400 # calculate imageDict = stackBase.calculateROIImages(i0, i1, imiddle=imiddle) self.assertTrue(numpy.allclose(imageDict['ROI'], data[:,:,i0:i1].sum(axis=-1)), "Incorrect ROI image from %sROI calculation" % dynamic) self.assertTrue(numpy.allclose(imageDict['Left'], data[:,:,i0]), "Incorrect Left image from %sROI calculation" % dynamic) self.assertTrue(numpy.allclose(imageDict['Right'], data[:,:,i1-1]), "Incorrect Right image from %sROI calculation" % dynamic) self.assertTrue(numpy.allclose(imageDict['Middle'], data[:,:,imiddle]), "Incorrect Middle image from %sROI calculation" % dynamic) stackBase = None data = None dummyArray = None referenceData = None def testStackBaseStack2DDataHandling(self): from PyMca5.PyMcaCore import StackBase nrows = 50 ncolumns = 100 nchannels = 500 a = numpy.ones((nrows, ncolumns), numpy.float) referenceData = numpy.zeros((nchannels, nrows, ncolumns), numpy.float) for i in range(nchannels): referenceData[i] = a * i a = None mask = numpy.zeros((nrows, ncolumns), numpy.uint8) mask[20:30, 15:50] = 1 dummyArray = DummyArray(referenceData) defaultMca = referenceData.sum(axis=2, dtype=numpy.float64).sum(axis=1) maskedMca = referenceData[:,mask>0].sum(axis=1) for fileindex in [1, 2]: #usually only one file index case is used but #we test both to have a better coverage j = 0 for data in [referenceData, dummyArray]: if j == 0: dynamic = "" j = 1 else: dynamic = "dynamic " stackBase = StackBase.StackBase() stackBase.setStack(data, mcaindex=0, fileindex=fileindex) channels, counts = stackBase.getActiveCurve()[0:2] self.assertTrue(numpy.allclose(defaultMca, counts), "Incorrect %sdefault mca" % dynamic) # set mask stackBase.setSelectionMask(mask) self.assertTrue(numpy.allclose(stackBase.getSelectionMask(), mask), "Incorrect mask set and get") # get mca from mask mcaDataObject = stackBase.calculateMcaDataObject() self.assertTrue(numpy.allclose(mcaDataObject.y[0], maskedMca), "Incorrect %smca from mask calculation" % dynamic) #get image from roi i0 = 100 imiddle = 200 i1 = 400 # calculate imageDict = stackBase.calculateROIImages(i0, i1, imiddle=imiddle) self.assertTrue(numpy.allclose(imageDict['ROI'], data[i0:i1, :,:].sum(axis=0)), "Incorrect ROI image from %sROI calculation" % dynamic) self.assertTrue(numpy.allclose(imageDict['Left'], data[i0,:,:]), "Incorrect Left image from %sROI calculation" % dynamic) self.assertTrue(numpy.allclose(imageDict['Right'], data[i1-1,:,:]), "Incorrect Right image from %sROI calculation" % dynamic) self.assertTrue(numpy.allclose(imageDict['Middle'], data[imiddle,:,:]), "Incorrect Middle image from %sROI calculation" % dynamic) stackBase = None data = None dummyArray = None referenceData = None def getSuite(auto=True): testSuite = unittest.TestSuite() if auto: testSuite.addTest(\ unittest.TestLoader().loadTestsFromTestCase(testStackBase)) else: # use a predefined order testSuite.addTest(testStackBase("testStackBaseImport")) testSuite.addTest(testStackBase("testStackBaseStack1DDataHandling")) testSuite.addTest(testStackBase("testStackBaseStack2DDataHandling")) return testSuite def test(auto=False): unittest.TextTestRunner(verbosity=2).run(getSuite(auto=auto)) if __name__ == '__main__': test() PyMca5-5.2.2/PyMca5/tests/DataTest.py0000644000276300001750000001650313136054446017261 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import unittest import os import sys import numpy class testData(unittest.TestCase): ELEMENTS = ['H', 'He', 'Li', 'Be', 'B', 'C', 'N', 'O', 'F', 'Ne', 'Na', 'Mg', 'Al', 'Si', 'P', 'S', 'Cl', 'Ar', 'K', 'Ca', 'Sc', 'Ti', 'V', 'Cr', 'Mn', 'Fe', 'Co', 'Ni', 'Cu', 'Zn', 'Ga', 'Ge', 'As', 'Se', 'Br', 'Kr', 'Rb', 'Sr', 'Y', 'Zr', 'Nb', 'Mo', 'Tc', 'Ru', 'Rh', 'Pd', 'Ag', 'Cd', 'In', 'Sn', 'Sb', 'Te', 'I', 'Xe', 'Cs', 'Ba', 'La', 'Ce', 'Pr', 'Nd', 'Pm', 'Sm', 'Eu', 'Gd', 'Tb', 'Dy', 'Ho', 'Er', 'Tm', 'Yb', 'Lu', 'Hf', 'Ta', 'W', 'Re', 'Os', 'Ir', 'Pt', 'Au', 'Hg', 'Tl', 'Pb', 'Bi', 'Po', 'At', 'Rn', 'Fr', 'Ra', 'Ac', 'Th', 'Pa', 'U', 'Np', 'Pu', 'Am', 'Cm', 'Bk', 'Cf', 'Es', 'Fm', 'Md', 'No', 'Lr', 'Rf', 'Db', 'Sg', 'Bh', 'Hs', 'Mt'] def setUp(self): """ Get the data directory """ self._importSuccess = False try: from PyMca5 import PyMcaDataDir self._importSuccess = True self.dataDir = PyMcaDataDir.PYMCA_DATA_DIR except: self.dataDir = None try: self.docDir = PyMcaDataDir.PYMCA_DOC_DIR except: self.docDir = None def testDataDirectoryPresence(self): self.assertTrue(self._importSuccess, 'Unsuccessful PyMca5.PyMcaDataDir import') self.assertTrue(self.dataDir is not None, 'Unassigned PyMca5.PyMcaDataDir.PYMCA_DATA_DIR') self.assertTrue(os.path.exists(self.dataDir), 'Directory "%s" does not exist' % self.dataDir) self.assertTrue(os.path.isdir(self.dataDir), '"%s" expected to be a directory' % self.dataDir) def testFisxDataDirectoryPresence(self): try: from fisx import DataDir dataDir = DataDir.FISX_DATA_DIR except: dataDir = None self.assertTrue(dataDir is not None, 'fisx module not properly installed') self.assertTrue(os.path.exists(dataDir), 'fisx directory "%s" does not exist' % dataDir) self.assertTrue(os.path.isdir(dataDir), '"%s" expected to be a directory' % dataDir) for fname in ['BindingEnergies.dat', 'EADL97_BindingEnergies.dat', 'EADL97_KShellConstants.dat', 'EADL97_LShellConstants.dat', 'EADL97_MShellConstants.dat', 'EPDL97_CrossSections.dat', 'KShellConstants.dat', 'KShellRates.dat', 'LShellConstants.dat', 'LShellRates.dat', 'MShellConstants.dat', 'MShellRates.dat', 'XCOM_CrossSections.dat']: actualName = os.path.join(dataDir, fname) self.assertTrue(os.path.exists(actualName), 'File "%s" does not exist.' % actualName) self.assertTrue(os.path.isfile(actualName), 'File "%s" is not an actual file.' % actualName) def testDataFilePresence(self): # Testing file presence self.testDataDirectoryPresence() for fname in ['LShellRatesCampbell.dat', 'LShellRatesScofieldHS.dat', 'McaTheory.cfg', 'Scofield1973.dict', 'XRFSpectrum.mca']: actualName = os.path.join(self.dataDir, fname) self.assertTrue(os.path.exists(actualName), 'File "%s" does not exist.' % actualName) self.assertTrue(os.path.isfile(actualName), 'File "%s" is not an actual file.' % actualName) actualName = os.path.join(self.dataDir, 'attdata') self.assertTrue(os.path.exists(actualName), 'Directory "%s" does not exist' % actualName) self.assertTrue(os.path.isdir(actualName), '"%s" expected to be a directory' % actualName) for i in range(92): fname = "%s%s" % (testData.ELEMENTS[i], ".mat") actualName = os.path.join(self.dataDir, 'attdata', fname) self.assertTrue(os.path.exists(actualName), 'File "%s" does not exist.' % actualName) self.assertTrue(os.path.isfile(actualName), 'File "%s" is not an actual file.' % actualName) def testDocDirectoryPresence(self): self.assertTrue(self._importSuccess, 'Unsuccessful PyMca5.PyMcaDataDir import') self.assertTrue(self.docDir is not None, 'Unassigned PyMca5.PyMcaDataDir.PYMCA_DOC_DIR') self.assertTrue(os.path.exists(self.dataDir), 'Directory "%s" does not exist' % self.docDir) self.assertTrue(os.path.isdir(self.dataDir), '"%s" expected to be a directory' % self.docDir) def getSuite(auto=True): testSuite = unittest.TestSuite() if auto: testSuite.addTest(unittest.TestLoader().loadTestsFromTestCase(testData)) else: # use a predefined order testSuite.addTest(testData("testFisxDataDirectoryPresence")) testSuite.addTest(testData("testDataDirectoryPresence")) testSuite.addTest(testData("testDataFilePresence")) testSuite.addTest(testData("testDocDirectoryPresence")) return testSuite def test(auto=False): unittest.TextTestRunner(verbosity=2).run(getSuite(auto=auto)) if __name__ == '__main__': test() PyMca5-5.2.2/PyMca5/tests/GefitTest.py0000644000276300001750000000672113136054446017447 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import unittest import os import numpy class testGefit(unittest.TestCase): def setUp(self): """ import the module """ try: from PyMca5.PyMcaMath.fitting import Gefit self.gefit = Gefit except: self.gefit = None def gaussianPlusLinearBackground(self, param, t): dummy = 2.3548200450309493 * (t - param[3])/ param[4] return param[0] + param[1] * t +\ param[2] * numpy.exp(-0.5 * dummy * dummy) def testGefitImport(self): self.assertTrue(self.gefit is not None) def testGefitLeastSquares(self): self.testGefitImport() x = numpy.arange(500.) originalParameters = numpy.array([10.5, 2, 1000.0, 200., 100], numpy.float) fitFunction = self.gaussianPlusLinearBackground y = fitFunction(originalParameters, x) startingParameters = [0.0 ,1.0,900.0, 150., 90] fittedpar, chisq, sigmapar =self.gefit.LeastSquaresFit(fitFunction, startingParameters, xdata=x, ydata=y, sigmadata=None) for i in range(len(originalParameters)): self.assertTrue(abs(fittedpar[i] - originalParameters[i]) < 0.01) def getSuite(auto=True): testSuite = unittest.TestSuite() if auto: testSuite.addTest(\ unittest.TestLoader().loadTestsFromTestCase(testGefit)) else: # use a predefined order testSuite.addTest(testGefit("testGefitImport")) testSuite.addTest(testGefit("testGefitLeastSquares")) return testSuite def test(auto=False): unittest.TextTestRunner(verbosity=2).run(getSuite(auto=auto)) if __name__ == '__main__': test() PyMca5-5.2.2/PyMca5/tests/EdfFileTest.py0000644000276300001750000001126613136054446017707 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import unittest import sys import os import gc import tempfile import numpy class testEdfFile(unittest.TestCase): def setUp(self): """ import the EdfFile module """ tmpFile = tempfile.mkstemp(text=False) os.close(tmpFile[0]) self.fname = tmpFile[1] try: from PyMca5.PyMcaIO.EdfFile import EdfFile self.fileClass = EdfFile except: self.fileClass = None def tearDown(self): """clean up any possible files""" gc.collect() if self.fileClass is not None: if os.path.exists(self.fname): os.remove(self.fname) def testEdfFileImport(self): #"""Test successful import""" self.assertTrue(self.fileClass is not None) def testEdfFileReadWrite(self): # create a file self.assertTrue(self.fileClass is not None) data = numpy.arange(10000).astype(numpy.int32) data.shape = 100, 100 edf = self.fileClass(self.fname, 'wb+') edf.WriteImage({'Title': "title", 'key': 'key'}, data) edf = None # read it edf = self.fileClass(self.fname, 'rb') # the number of images nImages = edf.GetNumImages() self.assertEqual(nImages, 1) # the header information header = edf.GetHeader(0) self.assertEqual(header['Title'], "title") self.assertEqual(header['key'], "key") #the data information readData = edf.GetData(0) self.assertEqual(readData.dtype, numpy.int32, 'Read type %s instead of %s' %\ (readData.dtype, numpy.int32)) self.assertEqual(readData[10,20], data[10,20]) self.assertEqual(readData[20,10], data[20,10]) edf =None # add a second Image edf = self.fileClass(self.fname, 'rb+') edf.WriteImage({'Title': "title2", 'key': 'key2'}, data.astype(numpy.float32), Append=1) edf = None # read it edf = self.fileClass(self.fname, 'rb') # the number of images nImages = edf.GetNumImages() self.assertEqual(nImages, 2) # the header information header = edf.GetHeader(1) self.assertEqual(header['Title'], "title2") self.assertEqual(header['key'], "key2") # the data information readData = edf.GetData(1) self.assertEqual(readData.dtype, numpy.float32) self.assertTrue(abs(readData[10,20]-data[10,20]) < 0.00001) self.assertTrue(abs(readData[20,10]-data[20,10]) < 0.00001) edf =None gc.collect() def getSuite(auto=True): testSuite = unittest.TestSuite() if auto: testSuite.addTest(\ unittest.TestLoader().loadTestsFromTestCase(testEdfFile)) else: # use a predefined order testSuite.addTest(testEdfFile("testEdfFileImport")) testSuite.addTest(testEdfFile("testEdfFileReadWrite")) return testSuite def test(auto=False): unittest.TextTestRunner(verbosity=2).run(getSuite(auto=auto)) if __name__ == '__main__': test() PyMca5-5.2.2/PyMca5/tests/TestAll.py0000644000276300001750000000473413136054446017123 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import unittest import os import sys import glob import unittest def getSuite(auto=True): pythonFiles = glob.glob(os.path.join(os.path.dirname(__file__), "*.py")) sys.path.insert(0, os.path.dirname(__file__)) testSuite = unittest.TestSuite() for fname in pythonFiles: if os.path.basename(fname) in ["__init__.py", "TestAll.py"]: continue modName = os.path.splitext(os.path.basename(fname))[0] try: module = __import__(modName) except ImportError: print("Failed to import %s" % fname) continue if hasattr(module, "getSuite"): testSuite.addTest(module.getSuite(auto)) return testSuite def main(auto=True): unittest.TextTestRunner(verbosity=2).run(getSuite(auto=auto)) if __name__ == '__main__': if len(sys.argv) > 1: auto = False else: auto = True main(auto) PyMca5-5.2.2/PyMca5/PyMcaGui/0000755000276300001750000000000013205526235015502 5ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/PyMcaGui/misc/0000755000276300001750000000000013205526235016435 5ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/PyMcaGui/misc/CloseEventNotifyingWidget.py0000644000276300001750000000513213136054446024115 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" from PyMca5.PyMcaGui import PyMcaQt as qt class HDFInfoCustomEvent(qt.QEvent): def __init__(self, ddict): if ddict is None: ddict = {} self.dict = ddict qt.QEvent.__init__(self, qt.QEvent.User) class CloseEventNotifyingWidget(qt.QWidget): def __init__(self, parent=None): qt.QWidget.__init__(self, parent) self._notifyCloseEventToWidget = [] def notifyCloseEventToWidget(self, widget): if widget not in self._notifyCloseEventToWidget: self._notifyCloseEventToWidget.append(widget) def closeEvent(self, event): if len(self._notifyCloseEventToWidget): for widget in self._notifyCloseEventToWidget: ddict={} ddict['event'] = 'closeEventSignal' ddict['id'] = id(self) newEvent = HDFInfoCustomEvent(ddict) qt.QApplication.postEvent(widget, newEvent) self._notifyCloseEventToWidget = [] return qt.QWidget.closeEvent(self, event) PyMca5-5.2.2/PyMca5/PyMcaGui/misc/NumpyArrayTableModel.py0000644000276300001750000002151313136054446023054 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2015 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import numpy from PyMca5.PyMcaGui import PyMcaQt as qt if hasattr(qt, 'QStringList'): MyQVariant = qt.QVariant else: def MyQVariant(x=None): return x class NumpyArrayTableModel(qt.QAbstractTableModel): def __init__(self, parent=None, narray=None, fmt="%g", perspective=0): qt.QAbstractTableModel.__init__(self, parent) if narray is None: narray = numpy.array([]) self._array = narray self._format = fmt self._index = 0 self.assignDataFunction(perspective) def rowCount(self, parent=None): return self._rowCount(parent) def columnCount(self, parent=None): return self._columnCount(parent) def data(self, index, role=qt.Qt.DisplayRole): return self._data(index, role) def _rowCount1D(self, parent=None): return 1 def _columnCount1D(self, parent=None): return self._array.shape[0] def _data1D(self, index, role=qt.Qt.DisplayRole): if index.isValid(): if role == qt.Qt.DisplayRole: # row = 0 col = index.column() return MyQVariant(self._format % self._array[col]) return MyQVariant() def _rowCount2D(self, parent=None): return self._array.shape[0] def _columnCount2D(self, parent=None): return self._array.shape[1] def _data2D(self, index, role=qt.Qt.DisplayRole): if index.isValid(): if role == qt.Qt.DisplayRole: row = index.row() col = index.column() return MyQVariant(self._format % self._array[row, col]) return MyQVariant() def _rowCountND(self, parent=None): return self._array.shape[-2] def _columnCountND(self, parent=None): return self._array.shape[-1] def _dataND(self, index, role=qt.Qt.DisplayRole): if index.isValid(): if role == qt.Qt.DisplayRole: row = index.row() col = index.column() actualSelection = tuple(self._index + [row, col]) return MyQVariant(self._format % self._array[actualSelection]) return MyQVariant() def _rowCount3DIndex0(self, parent=None): return self._array.shape[1] def _columnCount3DIndex0(self, parent=None): return self._array.shape[2] def _rowCount3DIndex1(self, parent=None): return self._array.shape[0] def _columnCount3DIndex1(self, parent=None): return self._array.shape[2] def _rowCount3DIndex2(self, parent=None): return self._array.shape[0] def _columnCount3DIndex2(self, parent=None): return self._array.shape[1] def _data3DIndex0(self, index, role=qt.Qt.DisplayRole): if index.isValid(): if role == qt.Qt.DisplayRole: row = index.row() col = index.column() return MyQVariant(self._format % self._array[self._index, row, col]) return MyQVariant() def _data3DIndex1(self, index, role=qt.Qt.DisplayRole): if index.isValid(): if role == qt.Qt.DisplayRole: row = index.row() col = index.column() return MyQVariant(self._format % self._array[row, self._index, col]) return MyQVariant() def _data3DIndex2(self, index, role=qt.Qt.DisplayRole): if index.isValid(): if role == qt.Qt.DisplayRole: row = index.row() col = index.column() return MyQVariant(self._format % self._array[row, col, self._index]) return MyQVariant() def setArrayData(self, data, perspective=0): """ setStackData(self, data, perspective=0) data is a 3D array dimension is the array dimension acting as index of images """ if qt.qVersion() > "4.6": self.beginResetModel() else: self.reset() self._array = data self.assignDataFunction(perspective) if len(data.shape) > 3: self._index = [] for i in range(len(data.shape) - 2): self._index.append(0) if qt.qVersion() > "4.6": self.endResetModel() def assignDataFunction(self, dimension): shape = self._array.shape if len(shape) == 2: self._rowCount = self._rowCount2D self._columnCount = self._columnCount2D self._data = self._data2D elif len(shape) == 1: self._rowCount = self._rowCount1D self._columnCount = self._columnCount1D self._data = self._data1D elif len(shape) > 3: # only C order array of images supported self._rowCount = self._rowCountND self._columnCount = self._columnCountND self._data = self._dataND else: if dimension == 1: self._rowCount = self._rowCount3DIndex1 self._columnCount = self._columnCount3DIndex1 self._data = self._data3DIndex1 elif dimension == 2: self._rowCount = self._rowCount3DIndex2 self._columnCount = self._columnCount3DIndex2 self._data = self._data3DIndex1 else: self._rowCount = self._rowCount3DIndex0 self._columnCount = self._columnCount3DIndex0 self._data = self._data3DIndex0 self._dimension = dimension def setCurrentArrayIndex(self, index): """ This method is ignored if the current array does not not a 3-dimensional array. """ shape = self._array.shape if len(shape) < 3: # index is ignored return if len(shape) == 3: shape = self._array.shape[self._dimension] if hasattr(index, "__len__"): index = index[0] if (index < 0) or (index >= shape): raise ValueError("Index must be an integer lower than %d" % shape) self._index = index else: # Only N-dimensional arrays of images supported for i in range(len(index)): idx = index[i] if (idx < 0) or (idx >= shape[i]): raise ValueError("Index %d must be positive integer lower than %d" % \ (idx, shape[i])) self._index = index def setFormat(self, fmt): self._format = fmt if __name__ == "__main__": a = qt.QApplication([]) w = qt.QTableView() d = numpy.random.normal(0,1, (5, 1000,1000)) for i in range(5): d[i, :, :] += i #m = NumpyArrayTableModel(fmt="%.5f") #m = NumpyArrayTableModel(None, numpy.arange(100.), fmt="%.5f") #m = NumpyArrayTableModel(None, numpy.ones((100,20)), fmt="%.5f") m = NumpyArrayTableModel(None, d, fmt = "%.5f") w.setModel(m) m.setCurrentArrayIndex(4) #m.setArrayData(numpy.ones((100,))) w.show() a.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/misc/DoubleSlider.py0000644000276300001750000001127613136054446021376 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" from PyMca5.PyMcaGui import PyMcaQt as qt QTVERSION = qt.qVersion() DEBUG = 0 class DoubleSlider(qt.QWidget): sigDoubleSliderValueChanged = qt.pyqtSignal(object) def __init__(self, parent = None, scale = False): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(6, 6, 6, 6) self.mainLayout.setSpacing(1) orientation = qt.Qt.Horizontal self.minSlider = MySlider(self, orientation) self.minSlider.setRange(0, 100.) self.minSlider.setValue(0) self.maxSlider = MySlider(self, orientation) self.maxSlider.setRange(0, 100.0) self.maxSlider.setValue(100.) self.mainLayout.addWidget(self.maxSlider) self.mainLayout.addWidget(self.minSlider) self.minSlider.sigValueChanged.connect(self._sliderChanged) self.maxSlider.sigValueChanged.connect(self._sliderChanged) def __getDict(self): ddict = {} ddict['event'] = "doubleSliderValueChanged" m = self.minSlider.value() M = self.maxSlider.value() if m > M: ddict['max'] = m ddict['min'] = M else: ddict['min'] = m ddict['max'] = M return ddict def _sliderChanged(self, value): if DEBUG: print("DoubleSlider._sliderChanged()") ddict = self.__getDict() self.sigDoubleSliderValueChanged.emit(ddict) def setMinMax(self, m, M): self.minSlider.setValue(m) self.maxSlider.setValue(M) def getMinMax(self): m = self.minSlider.value() M = self.maxSlider.value() if m > M: return M, m else: return m, M class MySlider(qt.QWidget): sigValueChanged = qt.pyqtSignal(float) def __init__(self, parent = None, orientation=qt.Qt.Horizontal): qt.QWidget.__init__(self, parent) if orientation == qt.Qt.Horizontal: alignment = qt.Qt.AlignHCenter | qt.Qt.AlignTop layout = qt.QHBoxLayout(self) else: alignment = qt.Qt.AlignVCenter | qt.Qt.AlignLeft layout = qt.QVBoxLayout(self) layout.setContentsMargins(0, 0, 0, 0) layout.setSpacing(0) self.slider = qt.QSlider(self) self.slider.setOrientation(orientation) self.label = qt.QLabel("0", self) self.label.setAlignment(alignment) self.label.setFixedWidth(self.label.fontMetrics().width('100.99')) layout.addWidget(self.slider) layout.addWidget(self.label) self.slider.valueChanged.connect(self.setNum) def setNum(self, value): value = value / 100. self.label.setText('%.2f' % value) self.sigValueChanged.emit(value) def setRange(self, minValue, maxValue): self.slider.setRange(minValue * 100, int(maxValue * 100)) def setValue(self, value): self.slider.setValue(value * 100) def value(self): return self.slider.value()/100. def test(): app = qt.QApplication([]) app.lastWindowClosed.connect(app.quit) w = DoubleSlider() w.show() app.exec_() if __name__ == "__main__": test() PyMca5-5.2.2/PyMca5/PyMcaGui/misc/CalculationThread.py0000644000276300001750000002656513136054446022416 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import time try: from PyMca5.PyMcaGui import PyMcaQt as qt except ImportError: import PyMcaQt as qt USE_MOVE_TO_THREAD = False QTHREAD = True if QTHREAD: QThread = qt.QThread else: import threading QThread = threading.Thread # Python threads do not support moveToThread (untested) USE_MOVE_TO_THREAD = False class CalculationObject(qt.QObject): finished = qt.pyqtSignal() started = qt.pyqtSignal() def __init__(self, parent=None, calculation_method=None, calculation_vars=None, calculation_kw=None, expand_vars=True, expand_kw=True): qt.QObject.__init__(self, parent) self.calculation_method = calculation_method self.calculation_vars = calculation_vars self.calculation_kw = calculation_kw self.expand_vars = expand_vars self.expand_kw = expand_kw if self.expand_vars: if not self.expand_kw: raise ValueError("Cannot expand vars without expanding kw") self.__result = None def run(self): try: self.__result = None if self.calculation_vars is None and self.calculation_kw is None: self.__result = self.calculation_method() elif self.calculation_vars is None: if self.expand_kw: self.__result = self.calculation_method(**self.calculation_kw) else: self.__result = self.calculation_method(self.calculation_kw) elif self.calculation_kw is None: if self.expand_vars: self.__result = self.calculation_method(*self.calculation_vars) else: self.__result = self.calculation_method(self.calculation_vars) elif self.expand_vars and self.expand_kw: self.__result = self.calculation_method(*self.calculation_vars, **self.calculation_kw) elif self.expand_kw: self.__result = self.calculation_method(self.calculation_vars, **self.calculation_kw) else: print("Impossible combination of vars and kw") self._threadRunning = False raise ValueError("Impossible combination of vars and kw") except: self.__result = ("Exception",) + sys.exc_info() finally: # comment lines to allow to other call ???? self.calculation_vars = None self.calculation_kw = None self.finished.emit() def getResult(self): return self.__result class NewCalculationThread(qt.QObject): finished = qt.pyqtSignal() started = qt.pyqtSignal() def __init__(self, parent=None, calculation_method=None, calculation_vars=None, calculation_kw=None, expand_vars=True, expand_kw=True): qt.QObject.__init__(self, parent) self._calculationObject = CalculationObject(parent, calculation_method=calculation_method, calculation_vars=calculation_vars, calculation_kw=calculation_kw, expand_vars=expand_vars, expand_kw=expand_kw) self._calculationThread = qt.QThread() self._calculationObject.moveToThread(self._calculationThread) self._calculationObject.finished.connect(self._calculationThread.quit, qt.Qt.DirectConnection) self._calculationThread.started.connect(self._calculationObject.run, qt.Qt.DirectConnection) self._calculationThread.finished.connect(self._threadFinishedSlot, qt.Qt.DirectConnection) self._threadRunning = False def isRunning(self): #return self.calculationThread.isRunning() return self._threadRunning def _threadFinishedSlot(self): self._threadRunning = False self.finished.emit() def start(self): self._threadRunning = True self._calculationThread.start() self.started.emit() def getResult(self): return self._calculationObject.getResult() result = property(getResult) class OldCalculationThread(QThread): def __init__(self, parent=None, calculation_method=None, calculation_vars=None, calculation_kw=None, expand_vars=True, expand_kw=True): if QTHREAD: QThread.__init__(self, parent) else: QThread.__init__(self) self._threadRunning = False self.calculation_method = calculation_method self.calculation_vars = calculation_vars self.calculation_kw = calculation_kw self.expand_vars = expand_vars self.expand_kw = expand_kw if self.expand_vars: if not self.expand_kw: raise ValueError("Cannot expand vars without expanding kw") if not QTHREAD: def isRunning(self): return self._threadRunning def run(self): try: self._threadRunning = True self.result = None if self.calculation_vars is None and self.calculation_kw is None: self.result = self.calculation_method() elif self.calculation_vars is None: if self.expand_kw: self.result = self.calculation_method(**self.calculation_kw) else: self.result = self.calculation_method(self.calculation_kw) elif self.calculation_kw is None: if self.expand_vars: self.result = self.calculation_method(*self.calculation_vars) else: self.result = self.calculation_method(self.calculation_vars) elif self.expand_vars and self.expand_kw: self.result = self.calculation_method(*self.calculation_vars, **self.calculation_kw) elif self.expand_kw: self.result = self.calculation_method(self.calculation_vars, **self.calculation_kw) else: print("Impossible combination of vars and kw") self._threadRunning = False raise ValueError("Impossible combination of vars and kw") except: self._threadRunning = False self.result = ("Exception",) + sys.exc_info() finally: self.calculation_vars = None self.calculation_kw = None self._threadRunning = False def getResult(self): if hasattr(self, "result"): return self.result else: return None if USE_MOVE_TO_THREAD: CalculationThread=NewCalculationThread else: CalculationThread=OldCalculationThread def waitingMessageDialog(thread, message=None, parent=None, modal=True, update_callback=None, frameless=False): """ thread - The thread to be polled message - The initial message to be diplayed parent - The parent QWidget. It is used just to provide a convenient localtion modal - Default is True. The dialog will prevent user from using other widgets update_callback - The function to be called to provide progress feedback. It is expected to return a dictionnary. The recognized key words are: message: The updated message to be displayed. title: The title of the window title. progress: A number between 0 and 100 indicating the progress of the task. status: Status of the calculation thread. """ if message is None: message = "Please wait. Calculation going on." windowTitle = "Please Wait" if frameless: msg = qt.QDialog(None, qt.Qt.FramelessWindowHint) else: msg = qt.QDialog(None) #if modal: # msg.setWindowFlags(qt.Qt.Window | qt.Qt.CustomizeWindowHint | qt.Qt.WindowTitleHint) msg.setModal(modal) msg.setWindowTitle(windowTitle) layout = qt.QHBoxLayout(msg) layout.setContentsMargins(0, 0, 0, 0) layout.setSpacing(0) l1 = qt.QLabel(msg) l1.setFixedWidth(l1.fontMetrics().width('##')) l2 = qt.QLabel(msg) l2.setText("%s" % message) l3 = qt.QLabel(msg) l3.setFixedWidth(l3.fontMetrics().width('##')) layout.addWidget(l1) layout.addWidget(l2) layout.addWidget(l3) msg.show() if parent is not None: # place the dialog at appropriate point parentGeometry = parent.geometry() x = parentGeometry.x() + 0.5 * parentGeometry.width() y = parentGeometry.y() + 0.5 * parentGeometry.height() msg.move(int(x - 0.5 * msg.width()), int(y)) t0 = time.time() i = 0 ticks = ['-','\\', "|", "/","-","\\",'|','/'] qApp = qt.QApplication.instance() if update_callback is None: while (thread.isRunning()): i = (i+1) % 8 l1.setText(ticks[i]) l3.setText(" "+ticks[i]) qApp.processEvents() if QTHREAD: qt.QThread.msleep(1000) else: time.sleep(2) else: while (thread.isRunning()): updateInfo = update_callback() message = updateInfo.get('message', message) windowTitle = updateInfo.get('title', windowTitle) msg.setWindowTitle(windowTitle) i = (i+1) % 8 l1.setText(ticks[i]) l2.setText(message) l3.setText(" "+ticks[i]) qApp.processEvents() if QTHREAD: qt.QThread.msleep(1000) else: time.sleep(2) msg.close() PyMca5-5.2.2/PyMca5/PyMcaGui/misc/SubprocessLogWidget.py0000644000276300001750000001203113136054446022745 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os import subprocess import time from PyMca5.PyMcaGui import PyMcaQt as qt class SubprocessLogWidget(qt.QWidget): sigSubprocessLogWidgetSignal = qt.pyqtSignal(object) def __init__(self, parent=None, args=None): qt.QWidget.__init__(self, parent) self.setWindowTitle("Subprocess Log Widget") self.mainLayout = qt.QVBoxLayout(self) self._p = None self.__timer = qt.QTimer() self._args = args self.__timer.timeout.connect(self._timerSlot) self.logWidget = qt.QTextEdit(self) self.logWidget.setReadOnly(True) self.mainLayout.addWidget(self.logWidget) def setSubprocessArgs(self, args): self._args = args def start(self, args=None, timing=0.1): if args is None: if self._args is None: raise ValueError("Subprocess command not defined") else: self._args = args else: self._args = args self._startTimer(timing=timing) def stop(self): if self.isSubprocessRunning(): #print("MESSAGE TO KILL PROCESS") #print("HOW TO KILL IT IN A GOOD WAY?") self._p.kill() def isSubprocessRunning(self): running = False if self._p is not None: if self._p.poll() is None: running = True return running def _startTimer(self, timing=0.1): if self._args is None: raise ValueError("Subprocess command not defined") self._p = subprocess.Popen(self._args, bufsize=0, stdout=subprocess.PIPE, stderr=subprocess.PIPE, universal_newlines=True) ddict = {} ddict["subprocess"] = self._p ddict["event"] = "ProcessStarted" self.sigSubprocessLogWidgetSignal.emit(ddict) self.__timer.start(timing) def _timerSlot(self): ddict = {} ddict["subprocess"] = self._p if self._p.poll() is None: # process did not finish yet line = self._p.stdout.readline() if len(line) > 1: self.logWidget.append(line[:-1]) qApp = qt.QApplication.instance() qApp.processEvents() ddict["event"] = "ProcessRunning" else: self.__timer.stop() returnCode = self._p.returncode ddict['event'] = "ProcessFinished" ddict['code'] = returnCode ddict["message"] = [] if returnCode == 0: line = self._p.stdout.readline() while len(line) > 1: self.logWidget.append(line[:-1]) line = self._p.stdout.readline() else: line = self._p.stderr.readline() while len(line) > 1: ddict["message"].append(line) self.logWidget.append(line[:-1]) line = self._p.stderr.readline() self._p = None self.sigSubprocessLogWidgetSignal.emit(ddict) def clear(self): self.logWidget.clear() def append(self, text): self.logWidget.append(text) def closeEvent(self, event): if self._p is not None: try: self.stop() except: # this may happen if the process finished in the mean time pass qt.QWidget.closeEvent(self, event) PyMca5-5.2.2/PyMca5/PyMcaGui/misc/__init__.py0000644000276300001750000000000013136054446020537 0ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/PyMcaGui/misc/TableWidget.py0000644000276300001750000005765713136054446021231 0ustar solebliss00000000000000# coding: utf-8 # /*########################################################################## # # Copyright (c) 2004-2017 European Synchrotron Radiation Facility # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # # ###########################################################################*/ """This module provides table widgets handling cut, copy and paste for multiple cell selections. These actions can be triggered using keyboard shortcuts or through a context menu (right-click). :class:`TableView` is a subclass of :class:`QTableView`. The added features are made available to users after a model is added to the widget, using :meth:`TableView.setModel`. :class:`TableWidget` is a subclass of :class:`qt.QTableWidget`, a table view with a built-in standard data model. The added features are available as soon as the widget is initialized. The cut, copy and paste actions are implemented as QActions: - :class:`CopySelectedCellsAction` (*Ctrl+C*) - :class:`CopyAllCellsAction` - :class:`CutSelectedCellsAction` (*Ctrl+X*) - :class:`CutAllCellsAction` - :class:`PasteCellsAction` (*Ctrl+V*) The copy actions are enabled by default. The cut and paste actions must be explicitly enabled, by passing parameters ``cut=True, paste=True`` when creating the widgets, or later by calling their :meth:`enableCut` and :meth:`enablePaste` methods. """ __authors__ = ["P. Knobel"] __license__ = "MIT" __date__ = "03/07/2017" # copied from silx 0.6 import sys from PyMca5.PyMcaGui import PyMcaQt as qt if sys.platform.startswith("win"): row_separator = "\r\n" else: row_separator = "\n" col_separator = "\t" class CopySelectedCellsAction(qt.QAction): """QAction to copy text from selected cells in a :class:`QTableWidget` into the clipboard. If multiple cells are selected, the copied text will be a concatenation of the texts in all selected cells, tabulated with tabulation and newline characters. If the cells are sparsely selected, the structure is preserved by representing the unselected cells as empty strings in between two tabulation characters. Beware of pasting this data in another table widget, because depending on how the paste is implemented, the empty cells may cause data in the target table to be deleted, even though you didn't necessarily select the corresponding cell in the origin table. :param table: :class:`QTableView` to which this action belongs. """ def __init__(self, table): if not isinstance(table, qt.QTableView): raise ValueError('CopySelectedCellsAction must be initialised ' + 'with a QTableWidget.') super(CopySelectedCellsAction, self).__init__(table) self.setText("Copy selection") self.setToolTip("Copy selected cells into the clipboard.") self.setShortcut(qt.QKeySequence.Copy) self.setShortcutContext(qt.Qt.WidgetShortcut) self.triggered.connect(self.copyCellsToClipboard) self.table = table self.cut = False """:attr:`cut` can be set to True by classes inheriting this action, to do a cut action.""" def copyCellsToClipboard(self): """Concatenate the text content of all selected cells into a string using tabulations and newlines to keep the table structure. Put this text into the clipboard. """ selected_idx = self.table.selectedIndexes() if not selected_idx: return selected_idx_tuples = [(idx.row(), idx.column()) for idx in selected_idx] selected_rows = [idx[0] for idx in selected_idx_tuples] selected_columns = [idx[1] for idx in selected_idx_tuples] data_model = self.table.model() copied_text = "" for row in range(min(selected_rows), max(selected_rows) + 1): for col in range(min(selected_columns), max(selected_columns) + 1): index = data_model.index(row, col) cell_text = data_model.data(index) flags = data_model.flags(index) if (row, col) in selected_idx_tuples and cell_text is not None: copied_text += cell_text if self.cut and (flags & qt.Qt.ItemIsEditable): data_model.setData(index, "") copied_text += col_separator # remove the right-most tabulation copied_text = copied_text[:-len(col_separator)] # add a newline copied_text += row_separator # remove final newline copied_text = copied_text[:-len(row_separator)] # put this text into clipboard qapp = qt.QApplication.instance() qapp.clipboard().setText(copied_text) class CopyAllCellsAction(qt.QAction): """QAction to copy text from all cells in a :class:`QTableWidget` into the clipboard. The copied text will be a concatenation of the texts in all cells, tabulated with tabulation and newline characters. :param table: :class:`QTableView` to which this action belongs. """ def __init__(self, table): if not isinstance(table, qt.QTableView): raise ValueError('CopyAllCellsAction must be initialised ' + 'with a QTableWidget.') super(CopyAllCellsAction, self).__init__(table) self.setText("Copy all") self.setToolTip("Copy all cells into the clipboard.") self.triggered.connect(self.copyCellsToClipboard) self.table = table self.cut = False def copyCellsToClipboard(self): """Concatenate the text content of all cells into a string using tabulations and newlines to keep the table structure. Put this text into the clipboard. """ data_model = self.table.model() copied_text = "" for row in range(data_model.rowCount()): for col in range(data_model.columnCount()): index = data_model.index(row, col) cell_text = data_model.data(index) flags = data_model.flags(index) if cell_text is not None: copied_text += cell_text if self.cut and (flags & qt.Qt.ItemIsEditable): data_model.setData(index, "") copied_text += col_separator # remove the right-most tabulation copied_text = copied_text[:-len(col_separator)] # add a newline copied_text += row_separator # remove final newline copied_text = copied_text[:-len(row_separator)] # put this text into clipboard qapp = qt.QApplication.instance() qapp.clipboard().setText(copied_text) class CutSelectedCellsAction(CopySelectedCellsAction): """QAction to cut text from selected cells in a :class:`QTableWidget` into the clipboard. The text is deleted from the original table widget (use :class:`CopySelectedCellsAction` to preserve the original data). If multiple cells are selected, the cut text will be a concatenation of the texts in all selected cells, tabulated with tabulation and newline characters. If the cells are sparsely selected, the structure is preserved by representing the unselected cells as empty strings in between two tabulation characters. Beware of pasting this data in another table widget, because depending on how the paste is implemented, the empty cells may cause data in the target table to be deleted, even though you didn't necessarily select the corresponding cell in the origin table. :param table: :class:`QTableView` to which this action belongs.""" def __init__(self, table): super(CutSelectedCellsAction, self).__init__(table) self.setText("Cut selection") self.setShortcut(qt.QKeySequence.Cut) self.setShortcutContext(qt.Qt.WidgetShortcut) # cutting is already implemented in CopySelectedCellsAction (but # it is disabled), we just need to enable it self.cut = True class CutAllCellsAction(CopyAllCellsAction): """QAction to cut text from all cells in a :class:`QTableWidget` into the clipboard. The text is deleted from the original table widget (use :class:`CopyAllCellsAction` to preserve the original data). The cut text will be a concatenation of the texts in all cells, tabulated with tabulation and newline characters. :param table: :class:`QTableView` to which this action belongs.""" def __init__(self, table): super(CutAllCellsAction, self).__init__(table) self.setText("Cut all") self.setToolTip("Cut all cells into the clipboard.") self.cut = True def _parseTextAsTable(text, row_separator=row_separator, col_separator=col_separator): """Parse text into list of lists (2D sequence). The input text must be tabulated using tabulation characters and newlines to separate columns and rows. :param text: text to be parsed :param record_separator: String, or single character, to be interpreted as a record/row separator. :param field_separator: String, or single character, to be interpreted as a field/column separator. :return: 2D sequence of strings """ rows = text.split(row_separator) table_data = [row.split(col_separator) for row in rows] return table_data class PasteCellsAction(qt.QAction): """QAction to paste text from the clipboard into the table. If the text contains tabulations and newlines, they are interpreted as column and row separators. In such a case, the text is split into multiple texts to be pasted into multiple cells. If a cell content is an empty string in the original text, it is ignored: the destination cell's text will not be deleted. :param table: :class:`QTableView` to which this action belongs. """ def __init__(self, table): if not isinstance(table, qt.QTableView): raise ValueError('PasteCellsAction must be initialised ' + 'with a QTableWidget.') super(PasteCellsAction, self).__init__(table) self.table = table self.setText("Paste") self.setShortcut(qt.QKeySequence.Paste) self.setShortcutContext(qt.Qt.WidgetShortcut) self.setToolTip("Paste data. The selected cell is the top-left" + "corner of the paste area.") self.triggered.connect(self.pasteCellFromClipboard) def pasteCellFromClipboard(self): """Paste text from clipboard into the table. :return: *True* in case of success, *False* if pasting data failed. """ selected_idx = self.table.selectedIndexes() if len(selected_idx) != 1: msgBox = qt.QMessageBox(parent=self.table) msgBox.setText("A single cell must be selected to paste data") msgBox.exec_() return False data_model = self.table.model() selected_row = selected_idx[0].row() selected_col = selected_idx[0].column() qapp = qt.QApplication.instance() clipboard_text = qapp.clipboard().text() table_data = _parseTextAsTable(clipboard_text) protected_cells = 0 out_of_range_cells = 0 # paste table data into cells, using selected cell as origin for row_offset in range(len(table_data)): for col_offset in range(len(table_data[row_offset])): target_row = selected_row + row_offset target_col = selected_col + col_offset if target_row >= data_model.rowCount() or\ target_col >= data_model.columnCount(): out_of_range_cells += 1 continue index = data_model.index(target_row, target_col) flags = data_model.flags(index) # ignore empty strings if table_data[row_offset][col_offset] != "": if not flags & qt.Qt.ItemIsEditable: protected_cells += 1 continue data_model.setData(index, table_data[row_offset][col_offset]) # item.setText(table_data[row_offset][col_offset]) if protected_cells or out_of_range_cells: msgBox = qt.QMessageBox(parent=self.table) msg = "Some data could not be inserted, " msg += "due to out-of-range or write-protected cells." msgBox.setText(msg) msgBox.exec_() return False return True class CopySingleCellAction(qt.QAction): """QAction to copy text from a single cell in a modified :class:`QTableWidget`. This action relies on the fact that the text in the last clicked cell are stored in :attr:`_last_cell_clicked` of the modified widget. In most cases, :class:`CopySelectedCellsAction` handles single cells, but if the selection mode of the widget has been set to NoSelection it is necessary to use this class instead. :param table: :class:`QTableView` to which this action belongs. """ def __init__(self, table): if not isinstance(table, qt.QTableView): raise ValueError('CopySingleCellAction must be initialised ' + 'with a QTableWidget.') super(CopySingleCellAction, self).__init__(table) self.setText("Copy cell") self.setToolTip("Copy cell content into the clipboard.") self.triggered.connect(self.copyCellToClipboard) self.table = table def copyCellToClipboard(self): """ """ cell_text = self.table._text_last_cell_clicked if cell_text is None: return # put this text into clipboard qapp = qt.QApplication.instance() qapp.clipboard().setText(cell_text) class TableWidget(qt.QTableWidget): """:class:`QTableWidget` with a context menu displaying up to 5 actions: - :class:`CopySelectedCellsAction` - :class:`CopyAllCellsAction` - :class:`CutSelectedCellsAction` - :class:`CutAllCellsAction` - :class:`PasteCellsAction` These actions interact with the clipboard and can be used to copy data to or from an external application, or another widget. The cut and paste actions are disabled by default, due to the risk of overwriting data (no *Undo* action is available). Use :meth:`enablePaste` and :meth:`enableCut` to activate them. :param parent: Parent QWidget :param bool cut: Enable cut action :param bool paste: Enable paste action """ def __init__(self, parent=None, cut=False, paste=False): super(TableWidget, self).__init__(parent) self._text_last_cell_clicked = None self.copySelectedCellsAction = CopySelectedCellsAction(self) self.copyAllCellsAction = CopyAllCellsAction(self) self.copySingleCellAction = None self.pasteCellsAction = None self.cutSelectedCellsAction = None self.cutAllCellsAction = None self.addAction(self.copySelectedCellsAction) self.addAction(self.copyAllCellsAction) if cut: self.enableCut() if paste: self.enablePaste() self.setContextMenuPolicy(qt.Qt.ActionsContextMenu) def mousePressEvent(self, event): item = self.itemAt(event.pos()) if item is not None: self._text_last_cell_clicked = item.text() super(TableWidget, self).mousePressEvent(event) def enablePaste(self): """Enable paste action, to paste data from the clipboard into the table. .. warning:: This action can cause data to be overwritten. There is currently no *Undo* action to retrieve lost data. """ self.pasteCellsAction = PasteCellsAction(self) self.addAction(self.pasteCellsAction) def enableCut(self): """Enable cut action. .. warning:: This action can cause data to be deleted. There is currently no *Undo* action to retrieve lost data.""" self.cutSelectedCellsAction = CutSelectedCellsAction(self) self.cutAllCellsAction = CutAllCellsAction(self) self.addAction(self.cutSelectedCellsAction) self.addAction(self.cutAllCellsAction) def setSelectionMode(self, mode): """Overloaded from QTableWidget to disable cut/copy selection actions in case mode is NoSelection :param mode: :return: """ if mode == qt.QTableView.NoSelection: self.copySelectedCellsAction.setVisible(False) self.copySelectedCellsAction.setEnabled(False) if self.cutSelectedCellsAction is not None: self.cutSelectedCellsAction.setVisible(False) self.cutSelectedCellsAction.setEnabled(False) if self.copySingleCellAction is None: self.copySingleCellAction = CopySingleCellAction(self) self.insertAction(self.copySelectedCellsAction, # before first action self.copySingleCellAction) self.copySingleCellAction.setVisible(True) self.copySingleCellAction.setEnabled(True) else: self.copySelectedCellsAction.setVisible(True) self.copySelectedCellsAction.setEnabled(True) if self.cutSelectedCellsAction is not None: self.cutSelectedCellsAction.setVisible(True) self.cutSelectedCellsAction.setEnabled(True) if self.copySingleCellAction is not None: self.copySingleCellAction.setVisible(False) self.copySingleCellAction.setEnabled(False) super(TableWidget, self).setSelectionMode(mode) class TableView(qt.QTableView): """:class:`QTableView` with a context menu displaying up to 5 actions: - :class:`CopySelectedCellsAction` - :class:`CopyAllCellsAction` - :class:`CutSelectedCellsAction` - :class:`CutAllCellsAction` - :class:`PasteCellsAction` These actions interact with the clipboard and can be used to copy data to or from an external application, or another widget. The cut and paste actions are disabled by default, due to the risk of overwriting data (no *Undo* action is available). Use :meth:`enablePaste` and :meth:`enableCut` to activate them. .. note:: These actions will be available only after a model is associated with this view, using :meth:`setModel`. :param parent: Parent QWidget :param bool cut: Enable cut action :param bool paste: Enable paste action """ def __init__(self, parent=None, cut=False, paste=False): super(TableView, self).__init__(parent) self._text_last_cell_clicked = None self.cut = cut self.paste = paste self.copySelectedCellsAction = None self.copyAllCellsAction = None self.copySingleCellAction = None self.pasteCellsAction = None self.cutSelectedCellsAction = None self.cutAllCellsAction = None def mousePressEvent(self, event): qindex = self.indexAt(event.pos()) if self.copyAllCellsAction is not None: # model was set self._text_last_cell_clicked = self.model().data(qindex) super(TableView, self).mousePressEvent(event) def setModel(self, model): """Set the data model for the table view, activate the actions and the context menu. :param model: :class:`qt.QAbstractItemModel` object """ super(TableView, self).setModel(model) self.copySelectedCellsAction = CopySelectedCellsAction(self) self.copyAllCellsAction = CopyAllCellsAction(self) self.addAction(self.copySelectedCellsAction) self.addAction(self.copyAllCellsAction) if self.cut: self.enableCut() if self.paste: self.enablePaste() self.setContextMenuPolicy(qt.Qt.ActionsContextMenu) def enablePaste(self): """Enable paste action, to paste data from the clipboard into the table. .. warning:: This action can cause data to be overwritten. There is currently no *Undo* action to retrieve lost data. """ self.pasteCellsAction = PasteCellsAction(self) self.addAction(self.pasteCellsAction) def enableCut(self): """Enable cut action. .. warning:: This action can cause data to be deleted. There is currently no *Undo* action to retrieve lost data. """ self.cutSelectedCellsAction = CutSelectedCellsAction(self) self.cutAllCellsAction = CutAllCellsAction(self) self.addAction(self.cutSelectedCellsAction) self.addAction(self.cutAllCellsAction) def addAction(self, action): # ensure the actions are not added multiple times: # compare action type and parent widget with those of existing actions for existing_action in self.actions(): if type(action) == type(existing_action): if hasattr(action, "table") and\ action.table is existing_action.table: return None super(TableView, self).addAction(action) def setSelectionMode(self, mode): """Overloaded from QTableView to disable cut/copy selection actions in case mode is NoSelection :param mode: :return: """ if mode == qt.QTableView.NoSelection: self.copySelectedCellsAction.setVisible(False) self.copySelectedCellsAction.setEnabled(False) if self.cutSelectedCellsAction is not None: self.cutSelectedCellsAction.setVisible(False) self.cutSelectedCellsAction.setEnabled(False) if self.copySingleCellAction is None: self.copySingleCellAction = CopySingleCellAction(self) self.insertAction(self.copySelectedCellsAction, # before first action self.copySingleCellAction) self.copySingleCellAction.setVisible(True) self.copySingleCellAction.setEnabled(True) else: self.copySelectedCellsAction.setVisible(True) self.copySelectedCellsAction.setEnabled(True) if self.cutSelectedCellsAction is not None: self.cutSelectedCellsAction.setVisible(True) self.cutSelectedCellsAction.setEnabled(True) if self.copySingleCellAction is not None: self.copySingleCellAction.setVisible(False) self.copySingleCellAction.setEnabled(False) super(TableView, self).setSelectionMode(mode) if __name__ == "__main__": app = qt.QApplication([]) tablewidget = TableWidget() tablewidget.setWindowTitle("TableWidget") tablewidget.setColumnCount(10) tablewidget.setRowCount(7) tablewidget.enableCut() tablewidget.enablePaste() tablewidget.show() tableview = TableView(cut=True, paste=True) tableview.setWindowTitle("TableView") model = qt.QStandardItemModel() model.setColumnCount(10) model.setRowCount(7) tableview.setModel(model) tableview.show() app.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/misc/NumpyArrayTableView.py0000644000276300001750000000767613136054446022744 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2015 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" from PyMca5.PyMcaGui import PyMcaQt as qt if hasattr(qt, 'QStringList'): MyQVariant = qt.QVariant else: def MyQVariant(x=None): return x from . import NumpyArrayTableModel import sys class HorizontalHeader(qt.QAbstractItemModel): def __init__(self, parent=None): qt.QHeaderView.__init__(self, parent) def columnCount(self, modelIndex): return self.parent().columnCount() def headerData(self, section, orientation, role=qt.Qt.DisplayRole): if role == qt.Qt.DisplayRole: return MyQVariant("%d" % section) return MyQVariant() class VerticalHeader(qt.QAbstractItemModel): def __init__(self, parent=None): qt.QHeaderView.__init__(self, parent) def rowCount(self, modelIndex): return self.parent().rowCount() def headerData(self, section, orientation, role=qt.Qt.DisplayRole): if role == qt.Qt.DisplayRole: return MyQVariant("%d" % section) return MyQVariant() class NumpyArrayTableView(qt.QTableView): def __init__(self, parent=None): qt.QTableView.__init__(self, parent) self._model = NumpyArrayTableModel.NumpyArrayTableModel(self) self.setModel(self._model) self._horizontalHeaderModel = HorizontalHeader(self._model) self._verticalHeaderModel = VerticalHeader(self._model) self.horizontalHeader().setModel(self._horizontalHeaderModel) self.verticalHeader().setModel(self._verticalHeaderModel) def setArrayData(self, data): t = "%s" % data.dtype if '|' in t: fmt = "%s" else: fmt = "%g" self._model.setFormat(fmt) self._model.setArrayData(data) #some linux distributions need this call self.setModel(self._model) if sys.platform not in ['win32']: self._horizontalHeaderModel = HorizontalHeader(self._model) self._verticalHeaderModel = VerticalHeader(self._model) self.horizontalHeader().setModel(self._horizontalHeaderModel) self.verticalHeader().setModel(self._verticalHeaderModel) def setCurrentArrayIndex(self, index): return self._model.setCurrentArrayIndex(index) if __name__ == "__main__": import numpy a = qt.QApplication([]) d = numpy.random.normal(0,1, (5, 1000,1000)) for i in range(5): d[i, :, :] += i w = NumpyArrayTableView() w.setArrayData(d) w.show() a.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/misc/QIPythonWidget.py0000644000276300001750000001441613136054446021677 0ustar solebliss00000000000000#/############################################################################ # # This module is based on an answer published in: # # http://stackoverflow.com/questions/11513132/embedding-ipython-qt-console-in-a-pyqt-application # # by Tim Rae # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "Tim Rae, V.A. Sole" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" # Set the QT API import os import sys if "PySide" in sys.modules: PYSIDE = True else: PYSIDE = False if PYSIDE: os.environ['QT_API'] = 'pyside' from PySide.QtGui import QApplication, QWidget, QPushButton, QVBoxLayout else: os.environ['QT_API'] = 'pyqt' try: import sip sip.setapi("QString", 2) sip.setapi("QVariant", 2) except: pass if "PyQt4" in sys.modules: from PyQt4.QtGui import QApplication, QWidget, \ QPushButton, QVBoxLayout elif "PyQt5" in sys.modules: from PyQt5.QtWidgets import QApplication, QWidget, \ QPushButton, QVBoxLayout else: try: from PyQt4.QtGui import QApplication, QWidget, \ QPushButton, QVBoxLayout except: try: from PyQt5.QtWidgets import QApplication, QWidget, \ QPushButton, QVBoxLayout except: from PySide.QtGui import QApplication, QWidget, \ QPushButton, QVBoxLayout os.environ['QT_API'] = 'pyside' import IPython if IPython.__version__.startswith("2"): QTCONSOLE = False else: try: import qtconsole QTCONSOLE = True except ImportError: QTCONSOLE = False if QTCONSOLE: try: from qtconsole.rich_ipython_widget import RichJupyterWidget as RichIPythonWidget except: from qtconsole.rich_ipython_widget import RichIPythonWidget from qtconsole.inprocess import QtInProcessKernelManager else: # Import the console machinery from ipython # Check if we using a frozen version because # the test of IPython does not find the Qt bindings executables = ["PyMcaMain.exe", "QStackWidget.exe", "PyMcaPostBatch.exe"] if os.path.basename(sys.executable) in executables: import IPython.external.qt_loaders def has_binding(*var, **kw): return True IPython.external.qt_loaders.has_binding = has_binding from IPython.qt.console.rich_ipython_widget import RichIPythonWidget from IPython.qt.inprocess import QtInProcessKernelManager from IPython.lib import guisupport class QIPythonWidget(RichIPythonWidget): """ Convenience class for a live IPython console widget. We can replace the standard banner using the customBanner argument""" def __init__(self,customBanner=None,*args,**kwargs): super(QIPythonWidget, self).__init__(*args,**kwargs) if customBanner != None: self.banner = customBanner self.setWindowTitle(self.banner) self.kernel_manager = kernel_manager = QtInProcessKernelManager() kernel_manager.start_kernel() kernel_manager.kernel.gui = 'qt4' self.kernel_client = kernel_client = self._kernel_manager.client() kernel_client.start_channels() def stop(): kernel_client.stop_channels() kernel_manager.shutdown_kernel() guisupport.get_app_qt4().exit() self.exit_requested.connect(stop) def pushVariables(self,variableDict): """ Given a dictionary containing name / value pairs, push those variables to the IPython console widget """ self.kernel_manager.kernel.shell.push(variableDict) def clearTerminal(self): """ Clears the terminal """ self._control.clear() def printText(self,text): """ Prints some plain text to the console """ self._append_plain_text(text) def executeCommand(self,command): """ Execute a command in the frame of the console widget """ self._execute(command,False) class ExampleWidget(QWidget): """ Main GUI Widget including a button and IPython Console widget inside vertical layout """ def __init__(self, parent=None): super(ExampleWidget, self).__init__(parent) layout = QVBoxLayout(self) self.button = QPushButton('Another widget') ipyConsole = QIPythonWidget(customBanner="Welcome to the embedded ipython console\n") layout.addWidget(self.button) layout.addWidget(ipyConsole) # This allows the variable foo and method print_process_id to be accessed from the ipython console ipyConsole.pushVariables({"foo":43,"print_process_id":print_process_id}) ipyConsole.printText("The variable 'foo' and the method 'print_process_id()' are available. Use the 'whos' command for information.") def print_process_id(): print('Process ID is:', os.getpid()) def main(): app = QApplication([]) widget = ExampleWidget() widget.show() app.exec_() if __name__ == '__main__': main() PyMca5-5.2.2/PyMca5/PyMcaGui/misc/SelectionTable.py0000644000276300001750000002341113136054446021710 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" __doc__=""" Concenience widget to generate a selection table in which each column can contain one type of widget. For the time being only text, check boxes or radio buttons are supported. Each time one of the contained widgets changes, a sigSelectionTableSignal is emitted indicating the current selection and the triggering cell. """ from PyMca5.PyMcaGui import PyMcaQt as qt DEBUG = 0 class SelectionTable(qt.QTableWidget): sigSelectionTableSignal = qt.pyqtSignal(object) def __init__(self, parent=None, labels=None, types=None): qt.QTableWidget.__init__(self, parent) if labels is None: if types is None: labels = ["Legend", "X", "Y"] types = ["Text", "RadioButton", "CheckBox"] else: labels = [] i = 0 for item in types: if item.lower() not in ["text", "checkbox", "radiobutton"]: text = "Only Text, CheckBox or RadioButton accepted" raise TypeError(text) labels.append("Column %02d" % i) i += 1 elif types is None: types = [] for item in labels: try: if len(item) == 1: types.append("CheckBox") else: types.append("Text") except: types.append("Text") self.setColumnCount(len(labels)) for i in range(len(labels)): item = self.horizontalHeaderItem(i) if item is None: item = qt.QTableWidgetItem(labels[i], qt.QTableWidgetItem.Type) self.setHorizontalHeaderItem(i,item) item.setText(labels[i]) rheight = self.horizontalHeader().sizeHint().height() self._labels = labels self._types = types self._buttonGroups = [None] * len(self._labels) # set a minimum of 5 rows self.setMinimumHeight(5*rheight) def fillTable(self, entries): """ Fill the table with the given entries. :param entries: List in which each item is a list of strings. The list of strings has to match the length of the table top header. :param type: list """ nEntries = len(entries) self.setRowCount(nEntries) for i in range(nEntries): self.fillLine(i, entries[i]) # adjust column width for i in range(self.columnCount()): self.resizeColumnToContents(i) def fillLine(self, row, entry): for column in range(len(self._types)): content = entry[column] if self._types[column].lower() == "checkbox": widget = self.cellWidget(row, column) if widget is None: widget = CheckBoxItem(self, row, column) self.setCellWidget(row, column, widget) widget.sigCheckBoxItemSignal.connect(self._checkBoxSlot) widget.setText(content) elif self._types[column].lower() == "radiobutton": widget = self.cellWidget(row, column) if widget is None: widget = RadioButtonItem(self, row, column) self.setCellWidget(row, column, widget) widget.sigRadioButtonItemSignal.connect( \ self._radioButtonSlot) if self._buttonGroups[column] is None: self._buttonGroups[column] = qt.QButtonGroup() widget.setChecked(True) self._buttonGroups[column].addButton(widget) widget.setText(content) else: # text item = self.item(row, column) if item is None: item = qt.QTableWidgetItem(content, qt.QTableWidgetItem.Type) item.setTextAlignment(qt.Qt.AlignHCenter | qt.Qt.AlignVCenter) self.setItem(row, column, item) #item is enabled and selectable item.setFlags(qt.Qt.ItemIsEnabled | qt.Qt.ItemIsSelectable) else: item.setText(content) def _checkBoxSlot(self, ddict): row = ddict["row"] column = ddict["column"] self.emitSelectionChangedSignal(cell=(row, column)) def _radioButtonSlot(self, ddict): # I handle them in the same way return self._checkBoxSlot(ddict) def getSelection(self): ddict = {} for column in range(self.columnCount()): label = self._labels[column].lower() ddict[label] = [] if self._types[column].lower() in ["checkbox", "radiobutton"]: for row in range(self.rowCount()): if self.cellWidget(row, column).isChecked(): ddict[label].append(row) else: for row in range(self.rowCount()): ddict[label].append(self.item(row, column).text()) return ddict def setSelection(self, ddict, qtCall=None): if qtCall is not None: return super(SelectionTable, self).setSelection(ddict, qtCall) for key in ddict: for column in range(self.columnCount()): if key.lower() == self._labels[column].lower(): if self._types[column].lower() in ["checkbox", "radiobutton"]: for row in range(self.rowCount()): widget = self.cellWidget(row, column) if row in ddict[key]: widget.setChecked(True) else: widget.setChecked(False) else: # text if self.rowCount() < len(ddict[key]): self.setRowCount(len(ddict[key])) for row in range(len(ddict[key])): content = ddict[key][row] item = self.item(row, column) item.setText(content) def emitSelectionChangedSignal(self, cell=None): ddict = self.getSelection() ddict["event"] = "selectionChanged" ddict["cell"] = cell self.sigSelectionTableSignal.emit(ddict) class CheckBoxItem(qt.QCheckBox): sigCheckBoxItemSignal = qt.pyqtSignal(object) def __init__(self, parent, row, col): super(CheckBoxItem, self).__init__(parent) self.__row = row self.__col = col self.clicked[bool].connect(self._mySignal) def _mySignal(self, value): ddict = {} ddict["event"] = "clicked" ddict["state"] = value ddict["row"] = self.__row * 1 ddict["column"] = self.__col * 1 # for compatibility ... ddict["col"] = ddict["column"] self.sigCheckBoxItemSignal.emit(ddict) class RadioButtonItem(qt.QRadioButton): sigRadioButtonItemSignal = qt.pyqtSignal(object) def __init__(self, parent, row, col): super(RadioButtonItem, self).__init__(parent) self.__row = row self.__col = col self.clicked[bool].connect(self._mySignal) def _mySignal(self, value): ddict = {} ddict["event"] = "clicked" ddict["state"] = value ddict["row"] = self.__row * 1 ddict["column"] = self.__col * 1 # for compatibility ... ddict["col"] = ddict["column"] self.sigRadioButtonItemSignal.emit(ddict) if __name__ == "__main__": app = qt.QApplication([]) def slot(ddict): print("received dict = ", ddict) tab = SelectionTable(labels=["Legend", "X", "Y"], types=["Text", "RadioButton", "RadioButton"]) tab.sigSelectionTableSignal.connect(slot) tab.fillTable([["Cnt1", "", ""], ["Cnt2", "", ""], ["Cnt3", "", ""], ["Cnt4", "", ""], ["Cnt5", "", ""]]) tab.setSelection({'x':[1], 'y':[4], 'legend':["dummy", "Ca K", "Fe K", "Pb M", "U l"]}) tab.show() app.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/misc/FrameBrowser.py0000644000276300001750000002662213136054446021420 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2015 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" from PyMca5.PyMcaGui import PyMcaQt as qt icon_first = ["22 22 2 1", ". c None", "# c #000000", "......................", "......................", ".#.................##.", ".#...............####.", ".#.............######.", ".#...........########.", ".#.........##########.", ".#.......############.", ".#.....##############.", ".#...################.", ".#.##################.", ".#.##################.", ".#...################.", ".#.....##############.", ".#.......############.", ".#.........##########.", ".#...........########.", ".#.............######.", ".#...............####.", ".#.................##.", "......................", "......................"] icon_previous = ["22 22 2 1", ". c None", "# c #000000", "......................", "......................", "...................##.", ".................####.", "...............######.", ".............########.", "...........##########.", ".........############.", ".......##############.", ".....################.", "...##################.", "...##################.", ".....################.", ".......##############.", ".........############.", "...........##########.", ".............########.", "...............######.", ".................####.", "...................##.", "......................", "......................"] icon_next = ["22 22 2 1", ". c None", "# c #000000", "......................", "......................", ".##...................", ".####.................", ".######...............", ".########.............", ".##########...........", ".############.........", ".##############.......", ".################.....", ".##################...", ".##################...", ".################.....", ".##############.......", ".############.........", ".##########...........", ".########.............", ".######...............", ".####.................", ".##...................", "......................", "......................"] icon_last = ["22 22 2 1", ". c None", "# c #000000", "......................", "......................", ".##.................#.", ".####...............#.", ".######.............#.", ".########...........#.", ".##########.........#.", ".############.......#.", ".##############.....#.", ".################...#.", ".##################.#.", ".##################.#.", ".################...#.", ".##############.....#.", ".############.......#.", ".##########.........#.", ".########...........#.", ".######.............#.", ".####...............#.", ".##.................#.", "......................", "......................"] class FrameBrowser(qt.QWidget): sigIndexChanged = qt.pyqtSignal(object) def __init__(self, parent=None, n=1): qt.QWidget.__init__(self, parent) self.mainLayout=qt.QHBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(0) self.firstButton = qt.QPushButton(self) self.firstButton.setIcon(qt.QIcon(qt.QPixmap(icon_first))) self.previousButton = qt.QPushButton(self) self.previousButton.setIcon(qt.QIcon(qt.QPixmap(icon_previous))) self.lineEdit = qt.QLineEdit(self) self.lineEdit.setFixedWidth(self.lineEdit.fontMetrics().width('%05d' % n)) validator = qt.QIntValidator(1, n, self.lineEdit) self.lineEdit.setText("1") self._oldIndex = 0 self.lineEdit.setValidator(validator) self.label = qt.QLabel(self) self.label.setText("of %d" % n) self.nextButton = qt.QPushButton(self) self.nextButton.setIcon(qt.QIcon(qt.QPixmap(icon_next))) self.lastButton = qt.QPushButton(self) self.lastButton.setIcon(qt.QIcon(qt.QPixmap(icon_last))) self.mainLayout.addWidget(qt.HorizontalSpacer(self)) self.mainLayout.addWidget(self.firstButton) self.mainLayout.addWidget(self.previousButton) self.mainLayout.addWidget(self.lineEdit) self.mainLayout.addWidget(self.label) self.mainLayout.addWidget(self.nextButton) self.mainLayout.addWidget(self.lastButton) self.mainLayout.addWidget(qt.HorizontalSpacer(self)) self.firstButton.clicked.connect(self._firstClicked) self.previousButton.clicked.connect(self._previousClicked) self.nextButton.clicked.connect(self._nextClicked) self.lastButton.clicked.connect(self._lastClicked) self.lineEdit.editingFinished.connect(self._textChangedSlot) def _firstClicked(self): self.lineEdit.setText("%d" % self.lineEdit.validator().bottom()) self._textChangedSlot() def _previousClicked(self): if self._oldIndex >= self.lineEdit.validator().bottom(): self.lineEdit.setText("%d" % (self._oldIndex)) self._textChangedSlot() def _nextClicked(self): if self._oldIndex < (self.lineEdit.validator().top()-1): self.lineEdit.setText("%d" % (self._oldIndex+2)) self._textChangedSlot() def _lastClicked(self): self.lineEdit.setText("%d" % self.lineEdit.validator().top()) self._textChangedSlot() def _textChangedSlot(self): txt = str(self.lineEdit.text()) if not len(txt): self.lineEdit.setText("%d" % (self._oldIndex+1)) return newValue = int(txt) - 1 if newValue == self._oldIndex: return ddict = {} ddict["event"] = "indexChanged" ddict["old"] = self._oldIndex + 1 self._oldIndex = newValue ddict["new"] = self._oldIndex + 1 ddict["id"] = id(self) self.sigIndexChanged.emit(ddict) def setRange(self, first, last): return self.setLimits(first, last) def setLimits(self, first, last): bottom = min(first, last) top = max(first, last) self.lineEdit.validator().setTop(top) self.lineEdit.validator().setBottom(bottom) self._oldIndex = bottom - 1 self.lineEdit.setText("%d" % (self._oldIndex + 1)) self.label.setText(" limits = %d, %d" % (bottom, top)) def setNFrames(self, nframes): bottom = 1 top = nframes self.lineEdit.validator().setTop(top) self.lineEdit.validator().setBottom(bottom) self._oldIndex = bottom - 1 self.lineEdit.setText("%d" % (self._oldIndex + 1)) self.label.setText(" of %d" % (top)) def getCurrentIndex(self): return self._oldIndex + 1 def setValue(self, value): self.lineEdit.setText("%d" % value) self._textChangedSlot() class HorizontalSliderWithBrowser(qt.QAbstractSlider): sigIndexChanged = qt.pyqtSignal(object) def __init__(self, *var): qt.QAbstractSlider.__init__(self, *var) self.setOrientation(qt.Qt.Horizontal) self.mainLayout = qt.QHBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) self._slider = qt.QSlider(self) self._slider.setOrientation(qt.Qt.Horizontal) self._browser = FrameBrowser(self) self.mainLayout.addWidget(self._slider) self.mainLayout.addWidget(self._browser) self._slider.valueChanged[int].connect(self._sliderSlot) self._browser.sigIndexChanged.connect(self._browserSlot) def setMinimum(self, value): self._slider.setMinimum(value) maximum = self._slider.maximum() if value == 1: self._browser.setNFrames(maximum) else: self._browser.setRange(value, maximum) def setMaximum(self, value): self._slider.setMaximum(value) minimum = self._slider.minimum() if minimum == 1: self._browser.setNFrames(value) else: self._browser.setRange(minimum, value) def setRange(self, *var): self._slider.setRange(*var) self._browser.setRange(*var) def _sliderSlot(self, value): self._browser.setValue(value) self.valueChanged.emit(value) def _browserSlot(self, ddict): self._slider.setValue(ddict['new']) def setValue(self, value): self._slider.setValue(value) self._browser.setValue(value) def value(self): return self._slider.value() def test1(args): app=qt.QApplication(args) w=HorizontalSliderWithBrowser() def slot(ddict): print(ddict) w.valueChanged[int].connect(slot) w.setRange(8, 20) w.show() app.exec_() def test2(args): app=qt.QApplication(args) w=FrameBrowser() def slot(ddict): print(ddict) w.sigIndexChanged.connect(slot) if len(args) > 1: w.setLimits(8, 20) w.show() app.exec_() if __name__=="__main__": import sys test1(sys.argv) PyMca5-5.2.2/PyMca5/PyMcaGui/misc/NumpyArrayTableWidget.py0000644000276300001750000001214213136054446023235 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2015 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" from PyMca5.PyMcaGui import PyMcaQt as qt from . import FrameBrowser from . import NumpyArrayTableView class BrowserContainer(qt.QWidget): def __init__(self, parent=None): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(0) class NumpyArrayTableWidget(qt.QWidget): def __init__(self, parent=None): qt.QTableWidget.__init__(self, parent) self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(0) self.browserContainer = BrowserContainer(self) self._widgetList = [] for i in range(4): browser = FrameBrowser.HorizontalSliderWithBrowser(self.browserContainer) self.browserContainer.mainLayout.addWidget(browser) self._widgetList.append(browser) browser.valueChanged.connect(self.browserSlot) if i == 0: browser.setEnabled(False) browser.hide() self.view = NumpyArrayTableView.NumpyArrayTableView(self) self.mainLayout.addWidget(self.browserContainer) self.mainLayout.addWidget(self.view) def setArrayData(self, data): self._array = data nWidgets = len(self._widgetList) nDimensions = len(self._array.shape) if nWidgets > (nDimensions - 2): for i in range((nDimensions - 2), nWidgets): browser = self._widgetList[i] self._widgetList[i].setEnabled(False) self._widgetList[i].hide() else: for i in range(nWidgets, nDimensions - 2): browser = FrameBrowser.HorizontalSliderWithBrowser(self.browserContainer) self.browserContainer.mainLayout.addWidget(browser) self._widgetList.append(browser) browser.valueChanged.connect(self.browserSlot) browser.setEnabled(False) browser.hide() for i in range(nWidgets): browser = self._widgetList[i] if (i + 2 ) < nDimensions: browser.setEnabled(True) if browser.isHidden(): browser.show() browser.setRange(1, self._array.shape[i]) else: browser.setEnabled(False) browser.hide() self.view.setArrayData(self._array) def browserSlot(self, value): if len(self._array.shape) == 3: self.view.setCurrentArrayIndex(value - 1) self.view.reset() else: index = [] for browser in self._widgetList: if browser.isEnabled(): index.append(browser.value() - 1) self.view.setCurrentArrayIndex(index) self.view.reset() if __name__ == "__main__": import numpy import sys a = qt.QApplication([]) d = numpy.random.normal(0,1, (4, 5, 1000,1000)) for j in range(4): for i in range(5): d[j, i, :, :] += i + 10 * j #m = NumpyArrayTableModel(numpy.arange(100.), fmt="%.5f") #m = NumpyArrayTableModel(numpy.ones((100,20)), fmt="%.5f") w = NumpyArrayTableWidget() if "2" in sys.argv: print("sending a single image") w.setArrayData(d[0,0]) elif "3" in sys.argv: print("sending a 5 images ") w.setArrayData(d[0]) else: print("sending a 4 * 5 images ") w.setArrayData(d) #m.setCurrentIndex(4) #m.setArrayData(numpy.ones((100,100))) w.show() a.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/0000755000276300001750000000000013205526235016613 5ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/QHDF5StackWizard.py0000644000276300001750000003423013136054446022150 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2016 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os import posixpath from PyMca5.PyMcaGui import PyMcaQt as qt safe_str = qt.safe_str from PyMca5.PyMcaGui.io.hdf5 import QNexusWidget from PyMca5.PyMcaCore import NexusDataSource from PyMca5 import PyMcaDirs class IntroductionPage(qt.QWizardPage): def __init__(self, parent): qt.QWizardPage.__init__(self, parent) self.setTitle("HDF5 Stack Selection Wizard") text = "This wizard will help you to select the " text += "appropriate dataset(s) belonging to your stack" self.setSubTitle(text) class FileListPage(qt.QWizardPage): def __init__(self, parent): qt.QWizardPage.__init__(self, parent) self.setTitle("HDF5 Stack File Selection") text = "The files below belong to your stack" self.setSubTitle(text) self.fileList = [] self.inputDir = None self.mainLayout= qt.QVBoxLayout(self) listlabel = qt.QLabel(self) listlabel.setText("Input File list") self._listView = qt.QTextEdit(self) self._listView.setMaximumHeight(30*listlabel.sizeHint().height()) self._listView.setReadOnly(True) self._listButton = qt.QPushButton(self) self._listButton.setText('Browse') self._listButton.setAutoDefault(False) self.mainLayout.addWidget(listlabel) self.mainLayout.addWidget(self._listView) self.mainLayout.addWidget(self._listButton) self._listButton.clicked.connect(self.browseList) def setFileList(self, filelist): text = "" #filelist.sort() for ffile in filelist: text += "%s\n" % ffile self.fileList = filelist self._listView.setText(text) def validatePage(self): if not len(self.fileList): return False return True def browseList(self): if self.inputDir is None: self.inputDir = PyMcaDirs.inputDir if not os.path.exists(self.inputDir): self.inputDir = os.getcwd() wdir = self.inputDir filedialog = qt.QFileDialog(self) filedialog.setWindowTitle("Open a set of files") filedialog.setDirectory(wdir) if hasattr(filedialog, "setFilters"): filedialog.setFilters(["HDF5 Files (*.nxs *.h5 *.hdf)", "HDF5 Files (*.h5)", "HDF5 Files (*.hdf)", "HDF5 Files (*.nxs)", "HDF5 Files (*)"]) else: filedialog.setNameFilters(["HDF5 Files (*.nxs *.h5 *.hdf)", "HDF5 Files (*.h5)", "HDF5 Files (*.hdf)", "HDF5 Files (*.nxs)", "HDF5 Files (*)"]) filedialog.setModal(1) filedialog.setFileMode(filedialog.ExistingFiles) ret = filedialog.exec_() if ret == qt.QDialog.Accepted: filelist0=filedialog.selectedFiles() else: self.raise_() return filelist = [] for f in filelist0: filelist.append(safe_str(f)) if len(filelist): self.setFileList(filelist) PyMcaDirs.inputDir = os.path.dirname(filelist[0]) self.inputDir = os.path.dirname(filelist[0]) self.raise_() class StackIndexWidget(qt.QWidget): def __init__(self, parent=None): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QHBoxLayout(self) #self.mainLayout.setContentsMargins(0, 0, 0, 0) #self.mainLayout.setSpacing(0) self.buttonGroup = qt.QButtonGroup(self) i = 0 for text in ["1D data is first dimension", "1D data is last dimension"]: rButton = qt.QRadioButton(self) rButton.setText(text) self.mainLayout.addWidget(rButton) self.buttonGroup.addButton(rButton, i) i += 1 rButton.setChecked(True) self._stackIndex = -1 self.buttonGroup.buttonPressed.connect(self._slot) def _slot(self, button): if "first" in safe_str(button.text()).lower(): self._stackIndex = 0 else: self._stackIndex = -1 def setIndex(self, index): if index == 0: self._stackIndex = 0 self.buttonGroup.button(0).setChecked(True) else: self._stackIndex = -1 self.buttonGroup.button(1).setChecked(True) class DatasetSelectionPage(qt.QWizardPage): def __init__(self, parent): qt.QWizardPage.__init__(self, parent) self.setTitle("HDF5 Dataset Selection") text = "Double click on the datasets you want to consider " text += "and select the role they will play at the end by " text += "selecting the appropriate checkbox(es)" self.selection = None self.setSubTitle(text) self.mainLayout = qt.QVBoxLayout(self) self.nexusWidget = LocalQNexusWidget(self) self.nexusWidget.buttons.hide() self.mainLayout.addWidget(self.nexusWidget, 1) self.stackIndexWidget = StackIndexWidget(self) self.mainLayout.addWidget(self.stackIndexWidget, 0) def setFileList(self, filelist): self.dataSource = NexusDataSource.NexusDataSource(filelist[0]) self.nexusWidget.setDataSource(self.dataSource) phynxFile = self.dataSource._sourceObjectList[0] keys = list(phynxFile.keys()) if len(keys) != 1: return #check if it is an NXentry entry = phynxFile[keys[0]] attrs = list(entry.attrs) if 'NX_class' in attrs: attr = entry.attrs['NX_class'] if sys.version > '2.9': try: attr = attr.decode('utf-8') except: print("WARNING: Cannot decode NX_class attribute") attr = None else: attr = None if attr is None: return if attr != 'NXentry': return #check if there is only one NXdata nxDataList = [] for key in entry.keys(): attr = entry[key].attrs.get('NX_class', None) if attr is None: continue if sys.version > '2.9': try: attr = attr.decode('utf-8') except: print("WARNING: Cannot decode NX_class attribute") continue if attr in ['NXdata']: nxDataList.append(key) if len(nxDataList) != 1: return nxData = entry[nxDataList[0]] #try to get the signals signalList = [] axesList = [] interpretation = "" for key in nxData.keys(): if 'signal' in nxData[key].attrs.keys(): if int(nxData[key].attrs['signal']) == 1: signalList.append(key) if len(signalList) == 1: if 'interpretation' in nxData[key].attrs.keys(): interpretation = nxData[key].attrs['interpretation'] if sys.version > '2.9': try: interpretation = interpretation.decode('utf-8') except: print("WARNING: Cannot decode interpretation") if interpretation == "image": self.stackIndexWidget.setIndex(0) if 'axes' in nxData[key].attrs.keys(): axes = nxData[key].attrs['axes'] if sys.version > '2.9': try: axes = axes.decode('utf-8') except: print("WARNING: Cannot decode axes") axes = axes.split(":") for axis in axes: if axis in nxData.keys(): axesList.append(axis) if not len(signalList): return ddict = {} ddict['counters'] = [] ddict['aliases'] = [] for signal in signalList: path = posixpath.join("/",nxDataList[0], signal) ddict['counters'].append(path) ddict['aliases'].append(posixpath.basename(signal)) for axis in axesList: path = posixpath.join("/",nxDataList[0], axis) ddict['counters'].append(path) ddict['aliases'].append(posixpath.basename(axis)) if sys.platform == "darwin" and\ len(ddict['counters']) > 3 and\ qt.qVersion().startswith('4.8'): # workaround a strange bug on Mac: # when the counter list has to be scrolled # the selected button also changes!!!! return self.nexusWidget.setWidgetConfiguration(ddict) if len(signalList): if len(axesList) == 0: self.nexusWidget.cntTable.setCounterSelection({'y':[0]}) elif interpretation == "image": self.nexusWidget.cntTable.setCounterSelection({'y':[0], 'x':[1]}) elif interpretation == "spectrum": self.nexusWidget.cntTable.setCounterSelection({'y':[0], 'x':[len(axesList)]}) else: self.nexusWidget.cntTable.setCounterSelection({'y':[0]}) def validatePage(self): cntSelection = self.nexusWidget.cntTable.getCounterSelection() cntlist = cntSelection['cntlist'] if not len(cntlist): text = "No dataset selection" self.showMessage(text) return False if not len(cntSelection['y']): text = "No dataset selected as y" self.showMessage(text) return False selection = {} selection['x'] = [] selection['y'] = [] selection['m'] = [] selection['index'] = self.stackIndexWidget._stackIndex for key in ['x', 'y', 'm']: if len(cntSelection[key]): for idx in cntSelection[key]: selection[key].append(cntlist[idx]) self.selection = selection return True def showMessage(self, text): msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Information) msg.setText(text) msg.exec_() class ShapePage(qt.QWizardPage): def __init__(self, parent): qt.QWizardPage.__init__(self, parent) self.setTitle("HDF5 Map Shape Selection") text = "Adjust the shape of your map if necessary" self.setSubTitle(text) class LocalQNexusWidget(QNexusWidget.QNexusWidget): def showInfoWidget(self, filename, name, dset=False): w = QNexusWidget.QNexusWidget.showInfoWidget(self, filename, name, dset) w.hide() w.setWindowModality(qt.Qt.ApplicationModal) w.show() class QHDF5StackWizard(qt.QWizard): def __init__(self, parent=None): qt.QWizard.__init__(self, parent) self.setWindowTitle("HDF5 Stack Wizard") #self._introduction = self.createIntroductionPage() self._fileList = self.createFileListPage() self._datasetSelection = self.createDatasetSelectionPage() #self._shape = self.createShapePage() #self.addPage(self._introduction) self.addPage(self._fileList) self.addPage(self._datasetSelection) #self.addPage(self._shape) #self.connect(qt.SIGNAL("currentIdChanged(int"), # currentChanged) def sizeHint(self): width = qt.QWizard.sizeHint(self).width() height = qt.QWizard.sizeHint(self).height() return qt.QSize(width, int(1.5 * height)) def createIntroductionPage(self): return IntroductionPage(self) def setFileList(self, filelist): self._fileList.setFileList(filelist) def createFileListPage(self): return FileListPage(self) def createDatasetSelectionPage(self): return DatasetSelectionPage(self) def createShapePage(self): return ShapePage(self) def initializePage(self, value): if value == 1: #dataset page self._datasetSelection.setFileList(self._fileList.fileList) def getParameters(self): return self._fileList.fileList,\ self._datasetSelection.selection,\ [x[0] for x in self._datasetSelection.nexusWidget.getSelectedEntries()] if __name__ == "__main__": import sys app = qt.QApplication(sys.argv) w = QHDF5StackWizard() ret = w.exec_() if ret == qt.QDialog.Accepted: print(w.getParameters()) PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/SilxExternalImagesWindow.py0000644000276300001750000002465213136054446024141 0ustar solebliss00000000000000# /*######################################################################### # Copyright (C) 2004-2017 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # # ###########################################################################*/ __authors__ = ["V.A. Sole", "P. Knobel"] __contact__ = "sole@esrf.fr" __license__ = "MIT" import numpy from PyMca5.PyMcaGui import PyMcaQt as qt if hasattr(qt, "QString"): QString = qt.QString else: QString = str from PyMca5.PyMcaGui.plotting.PyMca_Icons import IconDict from PyMca5.PyMcaGui.plotting import SilxMaskImageWidget class SilxExternalImagesWindow(SilxMaskImageWidget.SilxMaskImageWidget): """Widget displaying a single external image meant to be used as a background image underneath the stack data (e.g. sample photo). Crop and rotate operations can be applied to the image to align it with the data. It is technically possible to add multiple background image with different origins and sizes. They will all be plotted on the same background layer. But he crop and rotation operations will only be applied to the first image. """ def __init__(self, parent=None): SilxMaskImageWidget.SilxMaskImageWidget.__init__(self, parent=parent) # Additional actions added to action group self.cropIcon = qt.QIcon(qt.QPixmap(IconDict["crop"])) self.cropButton = qt.QToolButton(self) self.cropButton.setIcon(self.cropIcon) self.cropButton.setToolTip("Crop image to current zoomed area") self.cropButton.clicked.connect(self._cropIconChecked) self.hFlipIcon = qt.QIcon(qt.QPixmap(IconDict["gioconda16mirror"])) self.hFlipToolButton = qt.QToolButton(self) self.hFlipToolButton.setIcon(self.hFlipIcon) self.hFlipToolButton.setToolTip("Flip image and data, not the scale.") self._flipMenu = qt.QMenu() self._flipMenu.addAction(QString("Flip Image Left-Right"), self._flipLeftRight) self._flipMenu.addAction(QString("Flip Image Up-Down"), self._flipUpDown) self.hFlipToolButton.setMenu(self._flipMenu) self.hFlipToolButton.setPopupMode(qt.QToolButton.InstantPopup) self.rotateLeftIcon = qt.QIcon(qt.QPixmap(IconDict["rotate_left"])) self.rotateRightIcon = qt.QIcon(qt.QPixmap(IconDict["rotate_right"])) self.rotateButton = qt.QToolButton(self) self.rotateButton.setIcon(self.rotateLeftIcon) self.rotateButton.setToolTip("Rotate image by 90 degrees") self._rotateMenu = qt.QMenu() self.rotateLeftAction = qt.QAction(self.rotateLeftIcon, QString("Rotate left"), self) self.rotateLeftAction.triggered.connect(self._rotateLeft) self._rotateMenu.addAction(self.rotateLeftAction) self.rotateRightAction = qt.QAction(self.rotateRightIcon, QString("Rotate right"), self) self.rotateRightAction.triggered.connect(self._rotateRight) self._rotateMenu.addAction(self.rotateRightAction) self.rotateButton.setMenu(self._rotateMenu) self.rotateButton.setPopupMode(qt.QToolButton.InstantPopup) toolbar = qt.QToolBar("Image edition", parent=self) # custom widgets added to the end toolbar.addWidget(self.cropButton) toolbar.addWidget(self.hFlipToolButton) toolbar.addWidget(self.rotateButton) self.addToolBar(toolbar) # hide stack image slider, show transparency slider self.slider.hide() self.setAlphaSliderVisible(True) self.setImagesAlpha(0.) def _getCurrentBgHeightWidth(self): """Return height and width for the main bg image""" image = self._bg_images[0] ncols = image.shape[1] nrows = image.shape[0] width = ncols * self._bg_deltaXY[0][0] # X height = nrows * self._bg_deltaXY[0][1] # Y return height, width def _getAllBgHeightsWidths(self): widths = [] heights = [] for i, img in enumerate(self._bg_images): ncols = img.shape[1] nrows = img.shape[0] widths.append(ncols * self._bg_deltaXY[i][0]) heights.append(nrows * self._bg_deltaXY[i][1]) return heights, widths def _updateBgImages(self): """Reset background images after they changed""" heights, widths = self._getAllBgHeightsWidths() self.setBackgroundImages(self._bg_images, self._bg_labels, origins=self._bg_origins, widths=widths, heights=heights) def _cropIconChecked(self): """Crop first background image to the X and Y ranges currently displayed (crop to zoomed area)""" heights, widths = self._getAllBgHeightsWidths() xmin, xmax = self.plot.getGraphXLimits() ymin, ymax = self.plot.getGraphYLimits() # crop must select an area within the original image's bounds xmin = max(xmin, self._bg_origins[0][0]) xmax = min(xmax, self._bg_origins[0][0] + widths[0]) ymin = max(ymin, self._bg_origins[0][1]) ymax = min(ymax, self._bg_origins[0][1] + heights[0]) cols_min = int((xmin - self._bg_origins[0][0]) / self._bg_deltaXY[0][0]) cols_max = int((xmax - self._bg_origins[0][0]) / self._bg_deltaXY[0][0]) rows_min = int((ymin - self._bg_origins[0][1]) / self._bg_deltaXY[0][1]) rows_max = int((ymax - self._bg_origins[0][1]) / self._bg_deltaXY[0][1]) self._bg_images[0] = self._bg_images[0][rows_min:rows_max, cols_min:cols_max] # after a crop, we need to recalculate :attr:`_bg_deltaXY` self._updateBgScales(heights, widths) self._updateBgImages() self.sigMaskImageWidget.emit( {'event': "cropSignal"}) def _flipUpDown(self): """Flip 1st bg image upside down""" self._bg_images[0] = numpy.flipud(self._bg_images[0]) self.sigMaskImageWidget.emit( {'event': "flipUpDownSignal"}) self._updateBgImages() def _flipLeftRight(self): self._bg_images[0] = numpy.fliplr(self._bg_images[0]) self.sigMaskImageWidget.emit( {'event': "flipLeftRightSignal"}) self._updateBgImages() def _rotateRight(self): """Rotate the image 90 degrees clockwise. Depending on the Y axis orientation, the array must be rotated by 90 or 270 degrees.""" heights, widths = self._getAllBgHeightsWidths() if not self.plot.isYAxisInverted(): self._bg_images[0] = numpy.rot90(self._bg_images[0], 1) else: self._bg_images[0] = numpy.rot90(self._bg_images[0], 3) self.sigMaskImageWidget.emit( {'event': "rotateRight"}) self._updateBgScales(heights, widths) self._updateBgImages() def _rotateLeft(self): """Rotate the image 90 degrees counterclockwise. Depending on the Y axis orientation, the array must be rotated by 90 or 270 degrees.""" heights, widths = self._getAllBgHeightsWidths() if not self.plot.isYAxisInverted(): self._bg_images[0] = numpy.rot90(self._bg_images[0], 3) else: self._bg_images[0] = numpy.rot90(self._bg_images[0], 1) self.sigMaskImageWidget.emit( {'event': "rotateLeft"}) self._updateBgScales(heights, widths) self._updateBgImages() # overload methods to send the bg image in the signal def _addImageClicked(self): imageData = self.getFirstBgImageData() ddict = { 'event': "addImageClicked", 'image': imageData, 'title': self.plot.getGraphTitle(), 'id': id(self)} self.sigMaskImageWidget.emit(ddict) def _replaceImageClicked(self): imageData = self.getFirstBgImageData() ddict = { 'event': "replaceImageClicked", 'image': imageData, 'title': self.plot.getGraphTitle(), 'id': id(self)} self.sigMaskImageWidget.emit(ddict) def _removeImageClicked(self): imageData = self.getFirstBgImageData() ddict = { 'event': "removeImageClicked", 'image': imageData, 'title': self.plot.getGraphTitle(), 'id': id(self)} self.sigMaskImageWidget.emit(ddict) # overload show image to ensure the stack data # does not change the background title def showImage(self, index=0): SilxMaskImageWidget.SilxMaskImageWidget.showImage(self, index) if self._bg_labels: self.plot.setGraphTitle(self._bg_labels[0]) def test(): app = qt.QApplication([]) app.lastWindowClosed.connect(app.quit) data = numpy.arange(10000) data.shape = 50, 200 data[8:12, 48:52] = 10000 data[6:14, 146:154] = 10000 data[34:46, 44:56] = 0 data[32:48, 142:158] = 0 container = SilxExternalImagesWindow() container.setBackgroundImages([data]) container.show() def theSlot(ddict): print(ddict) container.sigMaskImageWidget.connect(theSlot) app.exec_() if __name__ == "__main__": test() PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/QStackWidget.py0000644000276300001750000014513313173367502021532 0ustar solebliss00000000000000#!/usr/bin/env python #/*########################################################################## # Copyright (C) 2004-2017 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os import traceback import numpy import weakref from PyMca5.PyMcaGui import PyMcaQt as qt if hasattr(qt, "QString"): QString = qt.QString else: QString = qt.safe_str from PyMca5.PyMcaGui import PyMcaFileDialogs from PyMca5.PyMcaCore import DataObject from PyMca5.PyMcaGui.pymca import McaWindow from PyMca5.PyMcaCore import StackBase from PyMca5.PyMcaGui import CloseEventNotifyingWidget from PyMca5.PyMcaGui import MaskImageWidget convertToRowAndColumn = MaskImageWidget.convertToRowAndColumn from PyMca5.PyMcaGui.pymca import StackROIWindow from PyMca5.PyMcaGui.pymca import RGBCorrelator from PyMca5.PyMcaGui.pymca.RGBCorrelatorWidget import ImageShapeDialog from PyMca5.PyMcaGui import IconDict from PyMca5.PyMcaGui.pymca import StackSelector from PyMca5 import PyMcaDirs from PyMca5.PyMcaIO import ArraySave HDF5 = ArraySave.HDF5 DEBUG = 0 QTVERSION = qt.qVersion() if DEBUG: StackBase.DEBUG = DEBUG class QStackWidget(StackBase.StackBase, CloseEventNotifyingWidget.CloseEventNotifyingWidget): def __init__(self, parent = None, mcawidget = None, rgbwidget = None, vertical = False, master = True): StackBase.StackBase.__init__(self) CloseEventNotifyingWidget.CloseEventNotifyingWidget.__init__(self, parent) self.setWindowIcon(qt.QIcon(qt.QPixmap(IconDict['gioconda16']))) self.setWindowTitle("PyMCA - ROI Imaging Tool") screenHeight = qt.QDesktopWidget().height() if screenHeight > 0: if QTVERSION < '4.5.0': self.setMaximumHeight(int(0.99*screenHeight)) self.setMinimumHeight(int(0.5*screenHeight)) screenWidth = qt.QDesktopWidget().width() if screenWidth > 0: if QTVERSION < '4.5.0': self.setMaximumWidth(int(screenWidth)-5) self.setMinimumWidth(min(int(0.5*screenWidth),800)) self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) self.mcaWidget = mcawidget self.rgbWidget = rgbwidget self.master = master self._slave = None self._masterStack = None self.stackSelector = None self._build(vertical=vertical) self._buildBottom() self._buildConnections() self.__ROIConnected = True def _build(self, vertical=False): box = qt.QSplitter(self) if vertical: box.setOrientation(qt.Qt.Vertical) boxmainlayout = qt.QVBoxLayout(box) else: box.setOrientation(qt.Qt.Horizontal) boxmainlayout = qt.QHBoxLayout(box) self.stackWindow = qt.QWidget(box) self.stackWindow.mainLayout = qt.QVBoxLayout(self.stackWindow) self.stackWindow.mainLayout.setContentsMargins(0, 0, 0, 0) self.stackWindow.mainLayout.setSpacing(0) self.stackWidget = MaskImageWidget.MaskImageWidget(self.stackWindow, selection=False, standalonesave=False, imageicons=False, aspect=True) self._stackSaveMenu = qt.QMenu() if HDF5: self._stackSaveMenu.addAction(QString("Save Zoomed Stack Region as Spectra"), self.saveStackAsNeXusSpectra) self._stackSaveMenu.addAction(QString("Save Zoomed Stack Region as Images"), self.saveStackAsNeXusImages) self._stackSaveMenu.addAction(QString("Save Zoomed Stack Region as Compressed Spectra"), self.saveStackAsNeXusCompressedSpectra) self._stackSaveMenu.addAction(QString("Save Zoomed Stack Region as Compressed Images"), self.saveStackAsNeXusCompressedImages) self._stackSaveMenu.addAction(QString("Save Zoomed Stack Region as Float32 Spectra"), self.saveStackAsFloat32NeXusSpectra) self._stackSaveMenu.addAction(QString("Save Zoomed Stack Region as Float64 Spectra"), self.saveStackAsFloat64NeXusSpectra) self._stackSaveMenu.addAction(QString("Save Zoomed Stack Region as Float32 Images"), self.saveStackAsFloat32NeXusImages) self._stackSaveMenu.addAction(QString("Save Zoomed Stack Region as Float64 Images"), self.saveStackAsFloat64NeXusImages) self._stackSaveMenu.addAction(QString("Save Zoomed Stack Region as HDF5 /data"), self.saveStackAsSimplestHDF5) self._stackSaveMenu.addAction(QString("Save Zoomed Stack Region as Monochromatic TIFF Images"), self.saveStackAsMonochromaticTiffImages) self._stackSaveMenu.addAction(QString("Save Zoomed Stack Region as Float32 TIFF Images"), self.saveStackAsFloat32TiffImages) self._stackSaveMenu.addAction(QString("Standard Graphics"), self.stackWidget.graphWidget._saveIconSignal) self.stackWidget.graphWidget.saveToolButton.clicked.connect( \ self._stackSaveToolButtonSignal) self.stackGraphWidget = self.stackWidget.graphWidget self.roiWindow = qt.QWidget(box) self.roiWindow.mainLayout = qt.QVBoxLayout(self.roiWindow) self.roiWindow.mainLayout.setContentsMargins(0, 0, 0, 0) self.roiWindow.mainLayout.setSpacing(0) standaloneSaving = True self.roiWidget = MaskImageWidget.MaskImageWidget(parent=self.roiWindow, rgbwidget=self.rgbWidget, selection=True, colormap=True, imageicons=True, standalonesave=standaloneSaving, profileselection=True, aspect=True) infotext = 'Toggle background subtraction from current image\n' infotext += 'subtracting a straight line between the ROI limits.' self.roiBackgroundIcon = qt.QIcon(qt.QPixmap(IconDict["subtract"])) self.roiBackgroundButton = self.roiWidget.graphWidget._addToolButton(\ self.roiBackgroundIcon, self._roiSubtractBackgroundClicked, infotext, toggle = True, state = False, position = 6) self.roiGraphWidget = self.roiWidget.graphWidget self.stackWindow.mainLayout.addWidget(self.stackWidget) self.roiWindow.mainLayout.addWidget(self.roiWidget) box.addWidget(self.stackWindow) box.addWidget(self.roiWindow) boxmainlayout.addWidget(self.stackWindow) boxmainlayout.addWidget(self.roiWindow) self.mainLayout.addWidget(box) #add some missing icons offset = 6 infotext = 'If checked, spectra will be added normalized to the number\n' infotext += 'of pixels. Be carefull if you are preparing a batch and you\n' infotext += 'fit the normalized spectra because the data in the batch will\n' infotext += 'have a different weight because they are not normalized.' self.normalizeIcon = qt.QIcon(qt.QPixmap(IconDict["normalize16"])) self.normalizeButton = self.stackGraphWidget._addToolButton(\ self.normalizeIcon, self.normalizeIconChecked, infotext, toggle = True, state = False, position = 6) offset += 1 if self.master: self.loadIcon = qt.QIcon(qt.QPixmap(IconDict["fileopen"])) self.loadStackButton = self.stackGraphWidget._addToolButton(\ self.loadIcon, self.loadSlaveStack, 'Load another stack of same shape', position = offset) offset += 1 self.pluginIcon = qt.QIcon(qt.QPixmap(IconDict["plugin"])) infotext = "Call/Load Stack Plugins" self.stackGraphWidget._addToolButton(self.pluginIcon, self._pluginClicked, infotext, toggle = False, state = False, position = offset) def setStack(self, *var, **kw): self.stackWidget.setImageData(None) self.roiWidget.setImageData(None) StackBase.StackBase.setStack(self, *var, **kw) if (1 in self._stack.data.shape) and\ isinstance(self._stack.data, numpy.ndarray): oldshape = self._stack.data.shape dialog = ImageShapeDialog(self, shape = oldshape[0:2]) dialog.setModal(True) ret = dialog.exec_() if ret: shape = dialog.getImageShape() dialog.close() del dialog self._stack.data.shape = [shape[0], shape[1], oldshape[2]] self.stackWidget.setImageData(None) self.roiWidget.setImageData(None) StackBase.StackBase.setStack(self, self._stack, **kw) try: if 'SourceName' in self._stack.info: if type(self._stack.info['SourceName']) == type([]): if len(self._stack.info['SourceName']) == 1: title = qt.safe_str(self._stack.info['SourceName'][0]) else: f0 = qt.safe_str(self._stack.info['SourceName'][0]) f1 = qt.safe_str(self._stack.info['SourceName'][-1]) try: f0 = os.path.basename(f0) f1 = os.path.basename(f1) except: pass title = "Stack from %s to %s" % (f0, f1) else: title = qt.safe_str(self._stack.info['SourceName']) self.setWindowTitle(title) except: # TODO: give a reasonable title pass def normalizeIconChecked(self): pass def _roiSubtractBackgroundClicked(self): if not len(self._ROIImageList): return xScale = self._stack.info.get("xScale", None) yScale = self._stack.info.get("yScale", None) if self.roiBackgroundButton.isChecked(): self.roiWidget.graphWidget.graph.setGraphTitle(\ self._ROIImageNames[0]+" Net") self.roiWidget.setImageData(self._ROIImageList[0]-\ self._ROIImageList[-1], xScale=xScale, yScale=yScale) else: self.roiWidget.graphWidget.graph.setGraphTitle(\ self._ROIImageNames[0]) self.roiWidget.setImageData(self._ROIImageList[0], xScale=xScale, yScale=yScale) def _stackSaveToolButtonSignal(self): self._stackSaveMenu.exec_(self.cursor().pos()) def _getOutputHDF5Filename(self, nexus=False): fileTypes = "HDF5 Files (*.h5)\nHDF5 Files (*.hdf)" message = "Enter output filename" wdir = PyMcaDirs.outputDir filename = PyMcaFileDialogs.getFileList(self, message=message, mode="SAVE", currentdir=wdir, filetypelist=[fileTypes], getfilter=False, single=True) if len(filename): filename = filename[0] if len(filename): try: fname = qt.safe_str(filename) if fname.endswith('.h5') or\ fname.endswith('.hdf'): return fname else: return fname + ".h5" except UnicodeEncodeError: msg = qt.QMessageBox(self) msg.setWindowTitle("Encoding error") msg.setIcon(qt.QMessageBox.Critical) msg.setText("Please use ASCII characters in file name and path") msg.exec_() return "" def _getOutputTiffFilename(self): fileTypes = "TIFF Files (*.tif *.tiff *.TIF *.TIFF)" message = "Enter output filename" wdir = PyMcaDirs.outputDir filename = PyMcaFileDialogs.getFileList(self, message=message, mode="SAVE", currentdir=wdir, filetypelist=[fileTypes], getfilter=False, single=True) if len(filename): filename = filename[0] if len(filename): try: fname = qt.safe_str(filename) if fname.endswith('.tif') or\ fname.endswith('.tiff') or\ fname.endswith('.TIF') or\ fname.endswith('.TIFF'): return fname else: return fname + ".tif" except UnicodeEncodeError: msg = qt.QMessageBox(self) msg.setWindowTitle("Encoding error") msg.setIcon(qt.QMessageBox.Critical) msg.setText("Please use ASCII characters in file name and path") msg.exec_() return "" def saveStackAsMonochromaticTiffImages(self, dtype=None): if dtype is None: dtype = self._stack.data.dtype if dtype in [numpy.uint32, numpy.uint64]: dtype = numpy.float32 elif dtype in [numpy.int32, numpy.int64]: dtype = numpy.float32 filename = self._getOutputTiffFilename() if not len(filename): return mcaIndex = self._stack.info.get('McaIndex', -1) dataView = self._getCroppedView() ArraySave.save3DArrayAsMonochromaticTiff(dataView, filename, labels = None, dtype=dtype, mcaindex=mcaIndex) def saveStackAsFloat32TiffImages(self): return self.saveStackAsMonochromaticTiffImages(dtype=numpy.float32) def _getCroppedView(self): mcaIndex = self._stack.info.get('McaIndex', -1) #get limits y0, y1 = self.stackWidget.graph.getGraphYLimits() x0, x1 = self.stackWidget.graph.getGraphXLimits() xScale = self._stack.info.get("xScale", None) yScale = self._stack.info.get("yScale", None) if mcaIndex in [0]: shape = [self._stack.data.shape[1], self._stack.data.shape[2]] elif mcaIndex in [1]: shape = [self._stack.data.shape[0], self._stack.data.shape[2]] else: shape = [self._stack.data.shape[0], self._stack.data.shape[1]] row0, col0 = convertToRowAndColumn( \ x0, y0, shape, xScale=xScale, yScale=yScale, safe=True) row1, col1 = convertToRowAndColumn( \ x1, y1, shape, xScale=xScale, yScale=yScale, safe=True) #this should go to array save ... shape = self._stack.data.shape if mcaIndex in [0]: row0 = int(max([row0+0.5, 0])) row1 = int(min([row1+0.5, self._stack.data.shape[1]])) col0 = int(max([col0+0.5, 0])) col1 = int(min([col1+0.5, self._stack.data.shape[2]])) view = self._stack.data[:, row0:row1+1, col0:col1+1] elif mcaIndex in [1]: row0 = int(max([row0+0.5, 0])) row1 = int(min([row1+0.5, self._stack.data.shape[0]])) col0 = int(max([col0+0.5, 0])) col1 = int(min([col1+0.5, self._stack.data.shape[2]])) view = self._stack.data[row0:row1+1, : , col0:col1+1] else: row0 = int(max([row0+0.5, 0])) row1 = int(min([row1+0.5, self._stack.data.shape[0]])) col0 = int(max([col0+0.5, 0])) col1 = int(min([col1+0.5, self._stack.data.shape[1]])) view = self._stack.data[row0:row1+1, col0:col1+1,:] return view def saveStackAsNeXus(self, dtype=None, interpretation=None, compression=False): mcaIndex = self._stack.info.get('McaIndex', -1) if interpretation is None: if mcaIndex in [0]: interpretation = "image" else: interpretation = "spectrum" if interpretation not in ["spectrum", "image"]: raise ValueError("Unknown data interpretation %s" % interpretation) filename = self._getOutputHDF5Filename() if not len(filename): return # get only the seen stack portion view = self._getCroppedView() # the current graph axis is saved axes = [None] * len(self._stack.data.shape) labels = [None] * len(self._stack.data.shape) try: xLabel = qt.safe_str(self.mcaWidget.graph.getGraphXLabel()) except: xLabel = None try: xData, y, legend, info = self.mcaWidget.getActiveCurve()[:4] except: xData = self._mcaData0.x[0] xLabel = 'Channels' if interpretation == 'image': labels[0] = xLabel axes[0] = xData else: labels[-1] = xLabel axes[-1] = xData try: ArraySave.save3DArrayAsHDF5(view, filename, axes=axes, labels=labels, dtype=dtype, mode='nexus', mcaindex=mcaIndex, interpretation=interpretation, compression=compression) except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setWindowTitle("Save error") msg.setText("An error has occured while saving the data:") msg.setInformativeText(qt.safe_str(sys.exc_info()[1])) msg.setDetailedText(traceback.format_exc()) msg.exec_() def saveStackAsNeXusSpectra(self, compression=False): self.saveStackAsNeXus(interpretation="spectrum", compression=compression) def saveStackAsNeXusImages(self): self.saveStackAsNeXus(interpretation="image", compression=False) def saveStackAsNeXusCompressedSpectra(self): self.saveStackAsNeXusSpectra(compression=True) def saveStackAsNeXusCompressedImages(self): self.saveStackAsNeXus(interpretation="image", compression=True) def saveStackAsFloat32NeXusSpectra(self): self.saveStackAsNeXus(dtype=numpy.float32, interpretation="spectrum") def saveStackAsFloat64NeXusSpectra(self): self.saveStackAsNeXus(dtype=numpy.float64, interpretation="spectrum") def saveStackAsFloat32NeXusImages(self): self.saveStackAsNeXus(dtype=numpy.float32, interpretation="image") def saveStackAsFloat64NeXusImages(self): self.saveStackAsNeXus(dtype=numpy.float64, interpretation="image") def saveStackAsNeXusPlus(self): filename = self._getOutputHDF5Filename() if not len(filename): return ArraySave.save3DArrayAsHDF5(self._stack.data, filename, labels = None, dtype=None, mode='nexus+') def saveStackAsSimpleHDF5(self): filename = self._getOutputHDF5Filename() if not len(filename): return ArraySave.save3DArrayAsHDF5(self._stack.data, filename, labels = None, dtype=None, mode='simple') def saveStackAsSimplestHDF5(self): filename = self._getOutputHDF5Filename() if not len(filename): return view = self._getCroppedView() ArraySave.save3DArrayAsHDF5(view, filename, labels = None, dtype=None, mode='simplest') def loadStack(self): if self._stackImageData is not None: #clear with a small stack stack = DataObject.DataObject() stack.data = numpy.zeros((100,100,100), numpy.float32) self.setStack(stack) if self.stackSelector is None: self.stackSelector = StackSelector.StackSelector(self) stack = self.stackSelector.getStack() if (type(stack) == type([])) or isinstance(stack, list): #aifira like, two stacks self.setStack(stack[0]) self._slave = None if len(stack) > 1: if stack[1] is not None: slave = QStackWidget(master=False, rgbwidget=self.rgbWidget) slave.setStack(stack[1]) if slave is not None: self.setSlave(slave) else: self.setStack(stack) def loadSlaveStack(self): if self._slave is not None: actionList = ['Load Slave', 'Show Slave', 'Merge Slave', 'Delete Slave'] menu = qt.QMenu(self) for action in actionList: text = QString(action) menu.addAction(text) a = menu.exec_(qt.QCursor.pos()) if a is None: return None if qt.safe_str(a.text()).startswith("Load"): self._closeSlave() elif qt.safe_str(a.text()).startswith("Show"): self._slave.show() self._slave.raise_() return elif qt.safe_str(a.text()).startswith("Merge"): masterStackDataObject = self.getStackDataObject() try: # Use views to ensure no casting is done in case of different dtype to save memory. # This is risky when the original stack is unsigned integers (overflow). masterStackDataObject.data[:] = masterStackDataObject.data[:] + self._slave.getStackData() except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setWindowTitle("Stack Summing Error") msg.setText("An error has occurred while summing the master and slave stacks") msg.setInformativeText(qt.safe_str(sys.exc_info()[1])) msg.setDetailedText(traceback.format_exc()) msg.exec_() self._closeSlave() self.setStack(masterStackDataObject) return else: self._closeSlave() return if self.stackSelector is None: self.stackSelector = StackSelector.StackSelector(self) try: stack = self.stackSelector.getStack() except: txt = "%s" % sys.exc_info()[1] if txt.startswith("Incomplete selection"): return msg = qt.QMessageBox(self) msg.setWindowTitle("Error loading slave stack") msg.setIcon(qt.QMessageBox.Critical) msg.setText("%s: %s" % (sys.exc_info()[0], sys.exc_info()[1])) msg.exec_() return if stack is None: return if type(stack) == type([]): stack = stack[0] slave = QStackWidget(rgbwidget=self.rgbWidget, master=False) slave.setStack(stack) self.setSlave(slave) def _closeSlave(self): self._slave.close() self._slave = None def setSlave(self, slave): self._slave = None self._slave = slave self._slave.setSelectionMask(self.getSelectionMask()) self._slave.show() self._slave._setMaster(self) def _setMaster(self, master=None): if self.master: self._masterStack = None return if master is None: master = self self._masterStack = weakref.proxy(master) def getStackDataObjectList(self): stackList = [] if self.master: stackList.append(self.getStackDataObject()) if self._slave is not None: stackList.append(self._slave.getStackDataObject()) else: stackList.append(self._masterStack.getStackDataObject()) stackList.append(self.getStackDataObject()) return stackList def _pluginClicked(self): actionList = [] menu = qt.QMenu(self) text = QString("Reload Plugins") menu.addAction(text) actionList.append(text) text = QString("Set User Plugin Directory") menu.addAction(text) actionList.append(text) global DEBUG if DEBUG: text = QString("Toggle DEBUG mode OFF") else: text = QString("Toggle DEBUG mode ON") menu.addAction(text) actionList.append(text) menu.addSeparator() callableKeys = ["Dummy0", "Dummy1", "Dummy2"] additionalItems = [] SORTED = True for m in self.pluginList: if m == "PyMcaPlugins.StackPluginBase": continue module = sys.modules[m] if hasattr(module, 'MENU_TEXT'): text = QString(module.MENU_TEXT) else: text = os.path.basename(module.__file__) if text.endswith('.pyc'): text = text[:-4] elif text.endswith('.py'): text = text[:-3] text = QString(text) methods = self.pluginInstanceDict[m].getMethods() if not len(methods): continue if SORTED: additionalItems.append((text, m)) else: menu.addAction(text) actionList.append(text) callableKeys.append(m) additionalItems.sort() for text, m in additionalItems: menu.addAction(text) actionList.append(text) callableKeys.append(m) a = menu.exec_(qt.QCursor.pos()) if a is None: return None idx = actionList.index(a.text()) if idx == 0: n = self.getPlugins() if n < 1: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Information) msg.setText("Problem loading plugins") msg.exec_() return if idx == 1: dirName = qt.safe_str(qt.QFileDialog.getExistingDirectory(self, "Enter user plugins directory", os.getcwd())) if len(dirName): pluginsDir = self.getPluginDirectoryList() pluginsDirList = [pluginsDir[0], dirName] self.setPluginDirectoryList(pluginsDirList) return if idx == 2: if DEBUG: DEBUG = 0 else: DEBUG = 1 StackBase.DEBUG = DEBUG return key = callableKeys[idx] methods = self.pluginInstanceDict[key].getMethods() if len(methods) == 1: idx = 0 else: actionList = [] #methods.sort() menu = qt.QMenu(self) for method in methods: text = QString(method) pixmap = self.pluginInstanceDict[key].getMethodPixmap(method) tip = QString(self.pluginInstanceDict[key].getMethodToolTip(\ method)) if pixmap is not None: action = qt.QAction(qt.QIcon(qt.QPixmap(pixmap)), text, self) else: action = qt.QAction(text, self) if tip is not None: action.setToolTip(tip) menu.addAction(action) actionList.append((text, pixmap, tip, action)) menu.hovered.connect(self._actionHovered) a = menu.exec_(qt.QCursor.pos()) if a is None: return None idx = -1 for action in actionList: if a.text() == action[0]: idx = actionList.index(action) try: self.pluginInstanceDict[key].applyMethod(methods[idx]) except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setWindowTitle("Plugin error") msg.setText("An error has occured while executing the plugin:") msg.setInformativeText(qt.safe_str(sys.exc_info()[1])) msg.setDetailedText(traceback.format_exc()) msg.exec_() if DEBUG: raise def _actionHovered(self, action): tip = action.toolTip() if qt.safe_str(tip) != qt.safe_str(action.text()): qt.QToolTip.showText(qt.QCursor.pos(), tip) def _buildBottom(self): n = 0 self.tab = None if self.mcaWidget is None: n += 1 if self.rgbWidget is None: n += 1 if n == 1: if self.mcaWidget is None: self.mcaWidget = McaWindow.McaWindow(self) self.mcaWidget.setWindowTitle("PyMCA - Mca Window") self.mainLayout.addWidget(self.mcaWidget) if self.rgbWidget is None: self.rgbWidget = RGBCorrelator.RGBCorrelator(self) self.mainLayout.addWidget(self.rgbWidget) elif n == 2: self.tab = qt.QTabWidget(self) self.mcaWidget = McaWindow.McaWindow()#vertical=False) #self.mcaWidget.graph.setMinimumWidth(0.5 * \ # qt.QWidget.sizeHint(self).width()) self.tab.setMaximumHeight(1.3 * qt.QWidget.sizeHint(self).height()) self.mcaWidget.setWindowTitle("PyMCA - Mca Window") self.tab.addTab(self.mcaWidget, "MCA") self.rgbWidget = RGBCorrelator.RGBCorrelator() self.tab.addTab(self.rgbWidget, "RGB Correlator") self.mainLayout.addWidget(self.tab) self.mcaWidget.setMiddleROIMarkerFlag(True) def _buildAndConnectButtonBox(self): #the MCA selection self.mcaButtonBox = qt.QWidget(self.stackWindow) self.mcaButtonBoxLayout = qt.QHBoxLayout(self.mcaButtonBox) self.mcaButtonBoxLayout.setContentsMargins(0, 0, 0, 0) self.mcaButtonBoxLayout.setSpacing(0) self.addMcaButton = qt.QPushButton(self.mcaButtonBox) self.addMcaButton.setText("ADD MCA") self.removeMcaButton = qt.QPushButton(self.mcaButtonBox) self.removeMcaButton.setText("REMOVE MCA") self.replaceMcaButton = qt.QPushButton(self.mcaButtonBox) self.replaceMcaButton.setText("REPLACE MCA") self.mcaButtonBoxLayout.addWidget(self.addMcaButton) self.mcaButtonBoxLayout.addWidget(self.removeMcaButton) self.mcaButtonBoxLayout.addWidget(self.replaceMcaButton) self.stackWindow.mainLayout.addWidget(self.mcaButtonBox) self.addMcaButton.clicked.connect(self.__addMcaClicked) self.removeMcaButton.clicked.connect(self._removeMcaClicked) self.replaceMcaButton.clicked.connect(self._replaceMcaClicked) if self.rgbWidget is not None: # The IMAGE selection self.roiWidget.buildAndConnectImageButtonBox() def _buildConnections(self): self._buildAndConnectButtonBox() #ROI Image widgetList = [self.stackWidget, self.roiWidget] for widget in widgetList: widget.sigMaskImageWidgetSignal.connect(self._maskImageWidgetSlot) #self.stackGraphWidget.graph.canvas().setMouseTracking(1) # infoText gives problems with recent matplotlib versions # self.stackGraphWidget.setInfoText(" X = ???? Y = ???? Z = ????") # self.stackGraphWidget.showInfo() self.stackGraphWidget.graph.sigPlotSignal.connect(\ self._stackGraphSignal) self.mcaWidget.sigROISignal.connect(self._mcaWidgetSignal) self.roiWidget.graphWidget.graph.sigPlotSignal.connect(\ self._stackGraphSignal) def showOriginalImage(self): self.stackGraphWidget.graph.setGraphTitle("Original Stack") if self._stackImageData is None: self.stackGraphWidget.graph.clear() return xScale = self._stack.info.get("xScale", None) yScale = self._stack.info.get("yScale", None) self.stackWidget.setImageData(self._stackImageData, xScale=xScale, yScale=yScale) def showOriginalMca(self): goodData = numpy.isfinite(self._mcaData0.y[0].sum()) if goodData: self.sendMcaSelection(self._mcaData0, action="ADD") def handleNonFiniteData(self): self._addMcaClicked(action="ADD") msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Information) msg.setWindowTitle("Non finite data") text = "Your data contain infinite values or nans.\n" text += "Pixels containing those values will be ignored." msg.setText(text) msg.exec_() return def calculateROIImages(self, index1, index2, imiddle=None, energy=None): #overwrite base method to update the default energy with the one # currently used in the graph activeCurve = self.mcaWidget.getActiveCurve() if activeCurve is None: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Information) msg.setWindowTitle("No active curve selected") text = "Please select the MCA active curve." msg.setText(text) msg.exec_() return x, y, legend, info = activeCurve[:4] return StackBase.StackBase.calculateROIImages(self, index1, index2, imiddle=imiddle, energy=x) def showROIImageList(self, imageList, image_names=None): xScale = self._stack.info.get("xScale", None) yScale = self._stack.info.get("yScale", None) if self.roiBackgroundButton.isChecked(): self.roiWidget.graphWidget.graph.setGraphTitle(image_names[0]+\ " Net") self.roiWidget.setImageData(imageList[0]-imageList[-1], xScale=xScale, yScale=yScale) else: self.roiWidget.graphWidget.graph.setGraphTitle(image_names[0]) self.roiWidget.setImageData(imageList[0], xScale=xScale, yScale=yScale) self._ROIImageList = imageList self._ROIImageNames = image_names self._stackROIImageListUpdated() def addImage(self, image, name, info=None, replace=False, replot=True): self.rgbWidget.addImage(image, name) if self.tab is None: if self.master: self.rgbWidget.show() else: self.tab.setCurrentWidget(self.rgbWidget) def removeImage(self, title): self.rgbWidget.removeImage(title) def replaceImage(self, image, title, info=None, replace=True, replot=True): self.rgbWidget.reset() self.rgbWidget.addImage(image, title) if self.rgbWidget.isHidden(): self.rgbWidget.show() if self.tab is None: self.rgbWidget.show() self.rgbWidget.raise_() else: self.tab.setCurrentWidget(self.rgbWidget) def _addImageClicked(self, image, title): self.addImage(image, title) def _removeImageClicked(self, title): self.rgbWidget.removeImage(title) def _replaceImageClicked(self, image, title): self.replaceImage(image, title) def __getLegend(self): if self._selectionMask is None: legend = "Stack SUM" elif self._selectionMask.sum() == 0: legend = "Stack SUM" else: title = qt.safe_str(self.roiGraphWidget.graph.getGraphTitle()) legend = "Stack " + title + " selection" return legend def __addMcaClicked(self): self._addMcaClicked("ADD") def _addMcaClicked(self, action=None): if action in [None, False]: action = "ADD" if self._stackImageData is None: return if self.normalizeButton.isChecked(): dataObject = self.calculateMcaDataObject(normalize=True) else: dataObject = self.calculateMcaDataObject(normalize=False) legend = self.__getLegend() if self.normalizeButton.isChecked(): if self._selectionMask is None: npixels = self._stackImageData.shape[0] *\ self._stackImageData.shape[1] else: npixels = self._selectionMask.sum() if npixels == 0: npixels = self._stackImageData.shape[0] *\ self._stackImageData.shape[1] legend += "/%d" % npixels return self.sendMcaSelection(dataObject, key = "Selection", legend =legend, action = action) def _removeMcaClicked(self): #remove the mca #dataObject = self.__mcaData0 #send a dummy object dataObject = DataObject.DataObject() legend = self.__getLegend() if self.normalizeButton.isChecked(): legend += "/" curves = self.mcaWidget.getAllCurves(just_legend=True) for curve in curves: if curve.startswith(legend): legend = curve break self.sendMcaSelection(dataObject, legend = legend, action = "REMOVE") def _replaceMcaClicked(self): #replace the mca self.__ROIConnected = False self._addMcaClicked(action="REPLACE") self.__ROIConnected = True def sendMcaSelection(self, mcaObject, key = None, legend = None, action = None): if action is None: action = "ADD" if key is None: key = "SUM" if legend is None: legend = "Stack SUM" if self.normalizeButton.isChecked(): npixels = self._stackImageData.shape[0] *\ self._stackImageData.shape[1] legend += "/%d" % npixels sel = {} sel['SourceName'] = "EDF Stack" sel['Key'] = key sel['legend'] = legend sel['dataobject'] = mcaObject if action == "ADD": self.mcaWidget._addSelection([sel]) elif action == "REMOVE": self.mcaWidget._removeSelection([sel]) elif action == "REPLACE": self.mcaWidget._replaceSelection([sel]) elif action == "GET_CURRENT_SELECTION": return sel if self.tab is None: self.mcaWidget.show() self.mcaWidget.raise_() else: self.tab.setCurrentWidget(self.mcaWidget) def setSelectionMask(self, mask, instance_id=None): self._selectionMask = mask if instance_id == id(self): return if DEBUG: if self._slave is not None: print("MASTER setSelectionMask CALLED") elif self._masterStack is not None: print("SLAVE setSelectionMask CALLED") #inform built in widgets for widget in [self.stackWidget, self.roiWidget]: if instance_id != id(widget): if mask is None: widget._resetSelection(owncall=False) else: widget.setSelectionMask(mask, plot=True) #inform slave if self._slave is not None: #This is a master instance instanceList = [id(self._slave), id(self._slave.stackWidget), id(self._slave.roiWidget)] for key in self._slave.pluginInstanceDict.keys(): instanceList.append(id(self._slave.pluginInstanceDict[key])) if instance_id not in instanceList: #Originated by the master if DEBUG: print("INFORMING SLAVE") self._slave.setSelectionMask(mask, instance_id=id(self)) if self._masterStack is not None: #This is a slave instance instanceList = [id(self.stackWidget), id(self.roiWidget)] for key in self.pluginInstanceDict.keys(): instanceList.append(id(self.pluginInstanceDict[key])) if instance_id in instanceList: #Originated by the slave if DEBUG: print("INFORMING MASTER") self._masterStack.setSelectionMask(mask, instance_id=id(self)) #Inform plugins for key in self.pluginInstanceDict.keys(): if key == "PyMcaPlugins.StackPluginBase": continue #I remove this optimization for the case the plugin #does not update itself the mask #if id(self.pluginInstanceDict[key]) != instance_id: self.pluginInstanceDict[key].selectionMaskUpdated() def getSelectionMask(self): return self._selectionMask def _maskImageWidgetSlot(self, ddict): if ddict['event'] == "selectionMaskChanged": self.setSelectionMask(ddict['current'], instance_id=ddict['id']) return if ddict['event'] == "resetSelection": self.setSelectionMask(None, instance_id=ddict['id']) return if ddict['event'] == "addImageClicked": self._addImageClicked(ddict['image'], ddict['title']) return if ddict['event'] == "replaceImageClicked": self._replaceImageClicked(ddict['image'], ddict['title']) return if ddict['event'] == "removeImageClicked": self._removeImageClicked(ddict['title']) return if ddict['event'] == "hFlipSignal": if ddict['id'] != id(self.stackWidget): self.stackWidget.graph.invertYAxis(ddict['current']) self.stackWidget.graph.replot() if ddict['id'] != id(self.roiWidget): self.roiWidget.graph.invertYAxis(ddict['current']) self.roiWidget.graph.replot() return def _stackGraphSignal(self, ddict): if ddict['event'] in ["mouseMoved", "MouseAt"]: x = round(ddict['y']) if x < 0: x = 0 y = round(ddict['x']) if y < 0: y = 0 if self._stackImageData is None: return limits = self._stackImageData.shape x = min(int(x), limits[0]-1) y = min(int(y), limits[1]-1) z = self._stackImageData[x, y] self.stackGraphWidget.setInfoText(" X = %d Y = %d Z = %.4g" %\ (y, x, z)) def _mcaWidgetSignal(self, ddict): if not self.__ROIConnected: return if ddict['event'] in ["currentROISignal", "ROISignal"]: self.updateROIImages(ddict) def getActiveCurve(self): legend = self.mcaWidget.getActiveCurve(just_legend=True) if legend is None: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Please select an active curve") msg.exec_() return x, y, legend, info = self.mcaWidget.getActiveCurve()[:4] return x, y, legend, info def getGraphXLimits(self): return self.mcaWidget.getGraphXLimits() def getGraphYLimits(self): return self.mcaWidget.getGraphYLimits() def getGraphXLabel(self): return self.mcaWidget.getGraphXLabel() def getGraphYLabel(self): return self.mcaWidget.getGraphYLabel() def closeEvent(self, event): # Inform plugins for key in self.pluginInstanceDict.keys(): self.pluginInstanceDict[key].stackClosed() CloseEventNotifyingWidget.CloseEventNotifyingWidget.closeEvent(self, event) def test(): #create a dummy stack nrows = 100 ncols = 200 nchannels = 1024 a = numpy.ones((nrows, ncols), numpy.float) stackData = numpy.zeros((nrows, ncols, nchannels), numpy.float) for i in range(nchannels): stackData[:, :, i] = a * i stackData[0:10,:,:] = 0 w = QStackWidget() w.setStack(stackData, mcaindex=2) w.show() return w if __name__ == "__main__": sys.excepthook = qt.exceptionHandler import getopt options = '' longoptions = ["fileindex=","old", "filepattern=", "begin=", "end=", "increment=", "nativefiledialogs=", "imagestack=", "image=", "backend="] try: opts, args = getopt.getopt( sys.argv[1:], options, longoptions) except: print(sys.exc_info()[1]) sys.exit(1) fileindex = 0 filepattern=None begin = None end = None imagestack=None increment=None backend=None PyMcaDirs.nativeFileDialogs=True for opt, arg in opts: if opt in '--begin': if "," in arg: begin = [int(x) for x in arg.split(",")] else: begin = [int(arg)] elif opt in '--end': if "," in arg: end = [int(x) for x in arg.split(",")] else: end = int(arg) elif opt in '--increment': if "," in arg: increment = [int(x) for x in arg.split(",")] else: increment = int(arg) elif opt in '--filepattern': filepattern = arg.replace('"','') filepattern = filepattern.replace("'","") elif opt in '--fileindex': fileindex = int(arg) elif opt in ['--imagestack', "--image"]: imagestack = int(arg) elif opt in '--nativefiledialogs': if int(arg): PyMcaDirs.nativeFileDialogs=True else: PyMcaDirs.nativeFileDialogs=False elif opt in '--backend': backend = arg #elif opt in '--old': # import QEDFStackWidget # sys.exit(QEDFStackWidget.runAsMain()) if filepattern is not None: if (begin is None) or (end is None): raise ValueError("A file pattern needs at least a set of begin and end indices") app = qt.QApplication([]) if sys.platform not in ["win32", "darwin"]: # some themes of Ubuntu 16.04 give black tool tips on black background app.setStyleSheet("QToolTip { color: #000000; background-color: #fff0cd; border: 1px solid black; }") if backend is not None: # set the default backend try: from PyMca5.PyMcaGraph.Plot import Plot Plot.defaultBackend = backend except: print("WARNING: Cannot set backend to %s" % backend) widget = QStackWidget() w = StackSelector.StackSelector(widget) if filepattern is not None: #ignore the args even if present stack = w.getStackFromPattern(filepattern, begin, end, increment=increment, imagestack=imagestack) else: stack = w.getStack(args, imagestack=imagestack) if (type(stack) == type([])) or (isinstance(stack, list)): #aifira like, two stacks widget.setStack(stack[0]) if len(stack) > 1: if stack[1] is not None: slave = QStackWidget(master=False, rgbwidget=widget.rgbWidget) slave.setStack(stack[1]) widget.setSlave(slave) stack = None else: widget.setStack(stack) widget.show() app.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/PyMcaGLWindow.py0000644000276300001750000002510713136054446021621 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import numpy DEBUG = 0 try: from PyMca5 import Object3D from PyMca5.Object3D import Object3DScene except ImportError: if DEBUG: print("PyMcaGLWindow imports Object3D direcly. Frozen version?") import Object3D from Object3D import Object3DScene class SceneGLWindow(Object3D.Object3DScene.Object3DScene): def _addSelection(self, selectionlist, replot=True): if DEBUG: print("addSelection(self, selectionlist)",selectionlist) if type(selectionlist) == type([]): sellist = selectionlist else: sellist = [selectionlist] for sel in sellist: source = sel['SourceName'] key = sel['Key'] legend = sel['legend'] #expected form sourcename + scan key dataObject = sel['dataobject'] #one-dimensional selections not considered if dataObject.info["selectiontype"] == "1D": continue #there must be something to plot if not hasattr(dataObject, 'y'): continue #there must be an x for a scan selection to reach here if not hasattr(dataObject, 'x'): continue if dataObject.x is None: numberOfXAxes = 0 else: numberOfXAxes = len(dataObject.x) if numberOfXAxes > 1: if DEBUG: print("Mesh plots") else: xdata = dataObject.x[0] #we have to loop for all y values ycounter = -1 for ydata in dataObject.y: ycounter += 1 ylegend = 'y%d' % ycounter if sel['selection'] is not None: if type(sel['selection']) == type({}): if 'y' in sel['selection']: ilabel = sel['selection']['y'][ycounter] ylegend = dataObject.info['LabelNames'][ilabel] object3Dlegend = legend + " " + ylegend ndata = len(ydata) object3D = self.addDataObject(dataObject, legend=object3Dlegend, update_scene=False) self.sceneControl.updateView() self.glWidget.setZoomFactor(self.glWidget.getZoomFactor()) def _removeSelection(self, selectionlist): if DEBUG: print("_removeSelection(self, selectionlist)",selectionlist) if type(selectionlist) == type([]): sellist = selectionlist else: sellist = [selectionlist] for sel in sellist: source = sel['SourceName'] key = sel['Key'] legend = sel['legend'] #expected form sourcename + scan key if 'LabelNames' in sel['selection']: labelNames = sel['selection']['LabelNames'] else: labelNames = sel['selection']['cntlist'] for ycounter in sel['selection']['y']: ylegend = labelNames[ycounter] object3Dlegend = legend + " " + ylegend self.removeObject(object3Dlegend, update_scene=False) self.sceneControl.updateView() self.glWidget.setZoomFactor(self.glWidget.getZoomFactor()) def _replaceSelection(self, selectionlist): if DEBUG: print("_replaceSelection(self, selectionlist)",selectionlist) if type(selectionlist) == type([]): sellist = selectionlist else: sellist = [selectionlist] self.clear(update_scene=False) self._addSelection(selectionlist) def addDataObject(self, dataObject, legend=None, update_scene=True): if legend is None: legend = dataObject.info['legend'] if (dataObject.m is None) or (dataObject.m == []): data = dataObject.y[0] else: #I would have to check for the presence of zeros in monitor data = dataObject.y[0]/dataObject.m[0] if dataObject.x is None: if len(data.shape) == 3: object3D=self.stack(data, legend=legend, update_scene=False) else: object3D=self.mesh(data, legend=legend, update_scene=False) return object3D ndata = 1 for dimension in data.shape: ndata *= dimension ndim = 1 xDimList = [] for dataset in dataObject.x: xdim = 1 for dimension in dataset.shape: xdim *= dimension xDimList.append(xdim) ndim *=xdim if len(dataObject.x) == len(data.shape): #two possibilities, the product is equal to the dimension #or not if ndim == ndata: if len(data.shape) == 3: if DEBUG: print("CASE 1") if (xDimList[0] != data.shape[0]) or\ (xDimList[1] != data.shape[1]) or\ (xDimList[2] != data.shape[2]): text = "Wrong dimensions:" text += " %dx%dx%d != (%d, %d, %d)" % (xDimList[0], xDimList[1], xDimList[2], data.shape[0], data.shape[1], data.shape[2]) raise ValueError(text) object3D = self.stack(data, x=dataObject.x[0], y=dataObject.x[1], z=dataObject.x[2], legend=legend, update_scene=update_scene) elif len(data.shape) == 2: if DEBUG: print("CASE 2") object3D = self.mesh(data, x=dataObject.x[0], y=dataObject.x[1], z=0, #This is 2D #z=data[:], #This is 3D legend=legend, update_scene=update_scene) elif len(data.shape) == 1: if DEBUG: print("CASE 3") object3D = self.mesh(data, x=dataObject.x[0], y=numpy.zeros((1,1), numpy.float32), z=data[:], legend=legend, update_scene=update_scene) return object3D elif (len(data.shape) == 3) and (len(xDimList) == 2): print("WARNING Assuming last dimension") if DEBUG: print("CASE 1.1") if (xDimList[0] != data.shape[0]) or\ (xDimList[1] != data.shape[1]): text = "Wrong dimensions:" text += " %dx%d != (%d, %d, %d)" % (xDimList[0], xDimList[1], data.shape[0], data.shape[1], data.shape[2]) raise ValueError(text) z = numpy.arange(data.shape[2]) object3D = self.stack(data, x=dataObject.x[0], y=dataObject.x[1], z=z, legend=legend, update_scene=update_scene) return object3D #I have to assume all the x are of 1 element or of as many elements as data xyzData = numpy.zeros((ndata, 3), numpy.float32) values = numpy.zeros((ndata, 1), numpy.float32) values[:,0] = data xdataCounter = 0 for xdata in dataObject.x: ndim = 1 for dimension in xdata.shape: ndim *= dimension if ndim == 1: xyzData[:,xdataCounter] = xdata * numpy.ones(ndata) else: xyzData[:,xdataCounter] = xdata xdataCounter += 1 object3D = Object3D.Object3DScene.Object3DMesh.Object3DMesh(legend) #if the number of points is reasonable #I force a surface plot. if ndata < 200000: cfg = object3D.setConfiguration({'common':{'mode':3}}) if DEBUG: print("DEFAULT CASE") object3D.setData(values, xyz=xyzData) self.addObject(object3D, legend, update_scene=update_scene) return object3D PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/ExternalImagesWindow.py0000644000276300001750000004040213136054446023270 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2015 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os import numpy from PyMca5.PyMcaGui import PyMcaQt as qt if hasattr(qt, "QString"): QString = qt.QString else: QString = str from PyMca5.PyMcaGui.plotting.PyMca_Icons import IconDict from PyMca5.PyMcaGui import MaskImageWidget from PyMca5.PyMcaIO import EdfFile EDF = True class ExternalImagesWindow(MaskImageWidget.MaskImageWidget): def __init__(self, *var, **kw): ddict = {} ddict['usetab'] = False ddict.update(kw) ddict['standalonesave'] = False if 'aspect' not in kw: ddict['aspect'] = True if 'dynamic' in kw: del ddict['dynamic'] if 'crop' in kw: del ddict['crop'] if 'depthselection' in kw: del ddict['depthselection'] self._depthSelection = kw.get('depthselection', False) MaskImageWidget.MaskImageWidget.__init__(self, *var, **ddict) self.slider = qt.QSlider(self) self.slider.setOrientation(qt.Qt.Horizontal) self.slider.setMinimum(0) self.slider.setMaximum(0) self.mainLayout.addWidget(self.slider) self.slider.valueChanged[int].connect(self._showImage) self.imageList = None self._imageDict = None self.imageNames = None self._stack = None standalonesave = kw.get("standalonesave", True) if standalonesave: self.graphWidget.saveToolButton.clicked.connect(\ self._saveToolButtonSignal) self._saveMenu = qt.QMenu() self._saveMenu.addAction(QString("Image Data"), self.saveImageList) self._saveMenu.addAction(QString("Standard Graphics"), self.graphWidget._saveIconSignal) self._saveMenu.addAction(QString("Matplotlib") , self._saveMatplotlibImage) dynamic = kw.get("dynamic", False) self._dynamic = dynamic crop = kw.get("crop", True) if crop: self.cropIcon = qt.QIcon(qt.QPixmap(IconDict["crop"])) infotext = "Crop image to the currently zoomed window" cropPosition = 6 #if 'imageicons' in kw: # if not kw['imageicons']: # cropPosition = 6 self.cropButton = self.graphWidget._addToolButton(\ self.cropIcon, self._cropIconChecked, infotext, toggle = False, position = cropPosition) infotext = "Flip image and data, not the scale." self.graphWidget.hFlipToolButton.setToolTip('Flip image') self._flipMenu = qt.QMenu() self._flipMenu.addAction(QString("Flip Image and Vertical Scale"), self.__hFlipIconSignal) self._flipMenu.addAction(QString("Flip Image Left-Right"), self._flipLeftRight) self._flipMenu.addAction(QString("Flip Image Up-Down"), self._flipUpDown) else: self.graphWidget.hFlipToolButton.clicked.connect(\ self.__hFlipIconSignal) def sizeHint(self): return qt.QSize(400, 400) def _cropIconChecked(self): #get current index index = self.slider.value() #current image label = self.imageNames[index] qimage = self._imageDict[label] width = qimage.width() height = qimage.height() xmin, xmax = self.graphWidget.graph.getGraphXLimits() ymin, ymax = self.graphWidget.graph.getGraphYLimits() xmin = int(xmin) xmax = int(xmax) ymin = int(ymin) ymax = int(ymax) dummy = xmin if (xmin > xmax): xmin = xmax xmax = dummy dummy = ymin if (ymin > ymax): ymin = ymax ymax = dummy xmin = max(xmin, 0) xmax = min(xmax, width) ymin = max(ymin, 0) ymax = min(ymax, height) rect = qt.QRect(xmin, ymin, xmax-xmin, ymax-ymin) newImageList = [] for i in range(len(self.imageList)): image = self._imageDict[self.imageNames[i]].copy(rect) newImageList.append(image) #replace current image by the new one self.setQImageList(newImageList, width, height, clearmask=False, data=None, imagenames=self.imageNames*1) ###self._imageDict[label] = self.getQImage() ###self.imageList.append(self.getImageData()) self._showImage(index) def _flipIconChecked(self): if not self.graphWidget.graph.yAutoScale: qt.QMessageBox.information(self, "Open", "Please set Y Axis to AutoScale first") return if not self.graphWidget.graph.xAutoScale: qt.QMessageBox.information(self, "Open", "Please set X Axis to AutoScale first") return if self.imageList is None: return if self._imageDict is None: return if self.imageNames is None: return self._flipMenu.exec_(self.cursor().pos()) def _hFlipIconSignal(self): if self.getQImage() is None: return if self.imageNames is None: #just setImage data used #I use the default flip self.__hFlipIconSignal() return if self.imageList is None: return if self._imageDict is None: return self._flipMenu.exec_(self.cursor().pos()) def __hFlipIconSignal(self): MaskImageWidget.MaskImageWidget._hFlipIconSignal(self) def _flipUpDown(self): for i in range(len(self.imageList)): label = self.imageNames[i] self._imageDict[label] = self._imageDict[label].mirrored(0, 1) self.imageList[i] = numpy.flipud(self.getImageData()) self.showImage(self.slider.value()) def _flipLeftRight(self): for i in range(len(self.imageList)): label = self.imageNames[i] self._imageDict[label] = self._imageDict[label].mirrored(1, 0) self.imageList[i] = numpy.fliplr(self.getImageData()) self.showImage(self.slider.value()) def _showImage(self, index): if len(self.imageList): self.showImage(index, moveslider=False) def showImage(self, index=0, moveslider=True): if self.imageList is None: return if len(self.imageList) == 0: return if self._dynamic: self._dynamicAction(index) elif self._stack: self.setImageData(self.imageList[index]) if self.imageNames is None: self.graphWidget.graph.setGraphTitle("Image %d" % index) else: self.graphWidget.graph.setGraphTitle(self.imageNames[index]) else: qimage = self._imageDict[self.imageNames[index]] self.setQImage(qimage, qimage.width(), qimage.height(), clearmask=False, data=self.imageList[index]) self.graphWidget.graph.setGraphTitle(self.imageNames[index]) if moveslider: self.slider.setValue(index) def _dynamicAction(self, index): #just support edffiles fileName = self.imageList[index] edf = EdfFile.EdfFile(fileName) self.setImageData(edf.GetData(0)) self.graphWidget.graph.setGraphTitle(os.path.basename(fileName)) def setQImageList(self, images, width, height, clearmask = False, data=None, imagenames = None): self._dynamic = False nimages = len(images) if imagenames is None: self.imageNames = [] for i in range(nimages): self.imageNames.append("ExternalImage %02d" % i) else: self.imageNames = imagenames i = 0 self._imageDict = {} self.imageList = [] for label in self.imageNames: self.setQImage(images[i], width, height, clearmask=clearmask, data=data) self._imageDict[label] = self.getQImage() self.imageList.append(self.getImageData()) i += 1 if self.imageList is not None: self.slider.setMaximum(len(self.imageList)-1) self.showImage(0) else: self.slider.setMaximum(0) self.slider.setValue(0) def saveImageList(self, filename=None, imagelist=None, labels=None): if self.imageList is None: return if self._dynamic: #save only one image MaskImageWidget.MaskImageWidget.saveImageList(self) return labels = [] for i in range(len(self.imageList)): labels.append(self.imageNames[i].replace(" ","_")) if len(labels): mask = self.getSelectionMask() if mask is not None: labels.append("Mask") return MaskImageWidget.MaskImageWidget.saveImageList(self, imagelist=self.imageList+[mask], labels=labels) return MaskImageWidget.MaskImageWidget.saveImageList(self, imagelist=self.imageList, labels=labels) def setImageList(self, imagelist, imagenames=None, dynamic=False): if hasattr(imagelist, 'shape'): #should I only accept lists? if len(imagelist.shape) == 3: return self.setStack(imagelist, index=0, imagenames=imagenames) if type(imagelist) in [type([0]), type((0,))]: if not len(imagelist): return if hasattr(imagelist[0],'shape'): #I have a list of images #I can treat it as a stack return self.setStack(imagelist, index=0, imagenames=imagenames) self._stack = False self._dynamic = dynamic self.imageList = imagelist self.imageNames = imagenames if imagelist is not None: if imagenames is None: nImages = len(self.imageList) self.imageNames = [None] * nImages for i in range(nImages): self.imageNames[i] = "Image %02d" % i current = self.slider.value() self.slider.setMaximum(len(self.imageList)-1) if current < len(self.imageList): self.showImage(current) else: self.showImage(0) def setStack(self, stack, index=None, imagenames=None): if index is None: index = 0 if hasattr(stack, "shape"): shape = stack.shape nImages = shape[index] imagelist = [None] * nImages for i in range(nImages): if index == 0: imagelist[i] = stack[i, :, :] imagelist[i].shape = shape[1], shape[2] elif index == 1: imagelist[i] = stack[:, i, :] imagelist[i].shape = shape[0], shape[2] elif index == 2: imagelist[i] = stack[:, :, i] imagelist[i].shape = shape[0], shape[1] else: nImages = len(stack) imagelist = stack self.imageList = imagelist self.imageNames = imagenames self._dynamic = False self._stack = True mask = self.getSelectionMask() if mask is not None: shape = imagelist[0].shape if mask.shape != shape: mask = numpy.zeros(shape, numpy.uint8) self.setSelectionMask(mask, plot=False) current = self.slider.value() self.slider.setMaximum(len(self.imageList)-1) if current < len(self.imageList): self.showImage(current) else: self.showImage(0) def _updateProfileCurve(self, ddict): if not self._depthSelection: return MaskImageWidget.MaskImageWidget._updateProfileCurve(self, ddict) nImages = len(self.imageNames) for i in range(nImages): image=self.imageList[i] overlay = False if i == 0: overlay = MaskImageWidget.OVERLAY_DRAW replace = True if len(self.imageNames) == 1: replot = True else: replot = False elif i == (nImages -1): replot = True replace=False else: replot = False replace= False curve = self._getProfileCurve(ddict, image=image, overlay=overlay) if curve is None: return xdata, ydata, legend, info = curve newLegend = self.imageNames[i]+ " " + legend self._profileSelectionWindow.addCurve(xdata, ydata, legend=newLegend, info=info, replot=replot, replace=replace) def getCurrentIndex(self): return self.slider.value() def test(): app = qt.QApplication([]) app.lastWindowClosed.connect(app.quit) if len(sys.argv) > 1: if sys.argv[1][-3:].upper() in ['EDF', 'CCD']: container = ExternalImagesWindow(selection=False, colormap=True, imageicons=False, standalonesave=True) #, #dynamic=True) container.setImageList(sys.argv[1:], dynamic=True) else: container = ExternalImagesWindow() image = qt.QImage(sys.argv[1]) #container.setQImage(image, image.width(),image.height()) container.setQImageList([image], 200, 100) else: container = ExternalImagesWindow() data = numpy.arange(10000) data.shape = 100, 100 container.setImageData(data) container.show() def theSlot(ddict): print(ddict['event']) if not container._dynamic: container.sigMaskImageWidgetSignal.connect(theSlot) app.exec_() if __name__ == "__main__": test() PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/QStack.py0000644000276300001750000000762213136054446020365 0ustar solebliss00000000000000#!/usr/bin/env python #/*########################################################################## # Copyright (C) 2004-2015 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os import numpy import copy import time from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaIO import EDFStack from PyMca5.PyMcaIO import SpecFileStack DEBUG = 0 class SimpleThread(qt.QThread): def __init__(self, function, *var, **kw): if kw is None:kw={} qt.QThread.__init__(self) self._function = function self._var = var self._kw = kw self._result = None def run(self): if DEBUG: self._result = self._function(*self._var, **self._kw ) else: try: self._result = self._function(*self._var, **self._kw ) except: self._result = ("Exception",) + sys.exc_info() class QSpecFileStack(SpecFileStack.SpecFileStack): def onBegin(self, nfiles): self.bars =qt.QWidget() self.bars.setWindowTitle("Reading progress") self.barsLayout = qt.QGridLayout(self.bars) self.barsLayout.setContentsMargins(2, 2, 2, 2) self.barsLayout.setSpacing(3) self.progressBar = qt.QProgressBar(self.bars) self.progressLabel = qt.QLabel(self.bars) self.progressLabel.setText('Mca Progress:') self.barsLayout.addWidget(self.progressLabel,0,0) self.barsLayout.addWidget(self.progressBar,0,1) self.progressBar.setMaximum(nfiles) self.progressBar.setValue(0) self.bars.show() def onProgress(self,index): self.progressBar.setValue(index) def onEnd(self): self.bars.hide() del self.bars class QStack(EDFStack.EDFStack): def onBegin(self, nfiles): self.bars =qt.QWidget() self.bars.setWindowTitle("Reading progress") self.barsLayout = qt.QGridLayout(self.bars) self.barsLayout.setContentsMargins(2, 2, 2, 2) self.barsLayout.setSpacing(3) self.progressBar = qt.QProgressBar(self.bars) self.progressLabel = qt.QLabel(self.bars) self.progressLabel.setText('File Progress:') self.barsLayout.addWidget(self.progressLabel,0,0) self.barsLayout.addWidget(self.progressBar,0,1) self.progressBar.setMaximum(nfiles) self.progressBar.setValue(0) self.bars.show() def onProgress(self,index): self.progressBar.setValue(index) def onEnd(self): self.bars.hide() del self.bars PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/McaCalibrationControlGUI.py0000644000276300001750000003254413136054446023756 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2016 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os from PyMca5.PyMcaGui import PyMcaQt as qt QTVERSION = qt.qVersion() if hasattr(qt, "QString"): QString = qt.QString else: QString = qt.safe_str from PyMca5 import PyMcaDirs DEBUG = 0 class McaCalibrationControlGUI(qt.QWidget): sigMcaCalibrationControlGUISignal = qt.pyqtSignal(object) def __init__(self, parent=None, name=""): qt.QWidget.__init__(self, parent) if name is not None: self.setWindowTitle(name) self.lastInputDir = None self.build() self.connections() def build(self): layout = qt.QVBoxLayout(self) layout.setContentsMargins(0, 0, 0, 0) layout.setSpacing(0) self.calbox = None self.calbut = None calibration = McaCalibrationControlLine(self) self.calbox = calibration.calbox self.calbut = calibration.calbut self.calinfo = McaCalibrationInfoLine(self) self.calmenu = qt.QMenu() self.calmenu.addAction(QString("Edit"), self._copysignal) self.calmenu.addAction(QString("Compute") ,self._computesignal) self.calmenu.addSeparator() self.calmenu.addAction(QString("Load") , self._loadsignal) self.calmenu.addAction(QString("Save") , self._savesignal) layout.addWidget(calibration) layout.addWidget(self.calinfo) def connections(self): #selection changed #self.connect(self.calbox,qt.SIGNAL("activated(const QString &)"), # self._calboxactivated) self.calbox.activated.connect(self._calboxactivated) self.calbut.clicked.connect(self._calbuttonclicked) def _calboxactivated(self, item=None): if DEBUG: item = qt.safe_str(item) print("Calibration box activated %s" % item) comboitem, combotext = self.calbox.getCurrent() self._emitpysignal(box=[comboitem,combotext], boxname='Calibration', event='activated') def _calbuttonclicked(self): if DEBUG: print("Calibration button clicked") self.calmenu.exec_(self.cursor().pos()) def _copysignal(self): comboitem,combotext = self.calbox.getCurrent() self._emitpysignal(button="CalibrationCopy", box=[comboitem,combotext], event='clicked') def _computesignal(self): comboitem,combotext = self.calbox.getCurrent() self._emitpysignal(button="Calibration", box=[comboitem,combotext], event='clicked') def _loadsignal(self): if self.lastInputDir is None: self.lastInputDir = PyMcaDirs.inputDir if self.lastInputDir is not None: if not os.path.exists(self.lastInputDir): self.lastInputDir = None self.lastInputFilter = "Calibration files (*.calib)\n" if sys.platform == "win32": windir = self.lastInputDir if windir is None: windir = os.getcwd() filename= qt.safe_str(qt.QFileDialog.getOpenFileName(self, "Load existing calibration file", windir, self.lastInputFilter)) else: windir = self.lastInputDir if windir is None:windir = os.getcwd() filename = qt.QFileDialog(self) filename.setWindowTitle("Load existing calibration file") filename.setModal(1) if hasattr(qt, "QStringList"): strlist = qt.QStringList() else: strlist = [] tmp = [self.lastInputFilter.replace("\n","")] for filetype in tmp: strlist.append(filetype.replace("(","").replace(")","")) if hasattr(filename, "setFilters"): filename.setFilters(strlist) else: filename.setNameFilters(strlist) filename.setFileMode(qt.QFileDialog.ExistingFile) filename.setDirectory(windir) ret = filename.exec_() if ret: if len(filename.selectedFiles()): filename = qt.safe_str(filename.selectedFiles()[0]) else: return else: return if not len(filename): return if len(filename) < 6: filename = filename + ".calib" elif filename[-6:] != ".calib": filename = filename + ".calib" self.lastInputDir = os.path.dirname(filename) comboitem,combotext = self.calbox.getCurrent() self._emitpysignal(button="CalibrationLoad", box=[comboitem,combotext], line_edit = filename, event='clicked') def _savesignal(self): if self.lastInputDir is None: self.lastInputDir = PyMcaDirs.outputDir if self.lastInputDir is not None: if not os.path.exists(self.lastInputDir): self.lastInputDir = None self.lastInputFilter = "Calibration files (*.calib)\n" if sys.platform == "win32": windir = self.lastInputDir if windir is None: windir = "" filename= qt.safe_str(qt.QFileDialog.getSaveFileName(self, "Save a new calibration file", windir, self.lastInputFilter)) else: windir = self.lastInputDir if windir is None:windir = os.getcwd() filename = qt.QFileDialog(self) filename.setWindowTitle("Save a new calibration file") filename.setModal(1) if hasattr(qt, "QStringList"): strlist = qt.QStringList() else: strlist = [] tmp = [self.lastInputFilter.replace("\n","")] for filetype in tmp: strlist.append(filetype.replace("(","").replace(")","")) if hasattr(filename, "setFilters"): filename.setFilters(strlist) else: filename.setNameFilters(strlist) filename.setFileMode(qt.QFileDialog.AnyFile) filename.setDirectory(windir) ret = filename.exec_() if ret: if len(filename.selectedFiles()): filename = qt.safe_str(filename.selectedFiles()[0]) else: return else: return if not len(filename): return if len(filename) < 6: filename = filename + ".calib" elif filename[-6:] != ".calib": filename = filename + ".calib" self.lastInputDir = os.path.dirname(filename) PyMcaDirs.outputDir = os.path.dirname(filename) comboitem,combotext = self.calbox.getCurrent() self._emitpysignal(button="CalibrationSave", box=[comboitem,combotext], line_edit = filename, event='clicked') def _emitpysignal(self,button=None, box=None, boxname=None, checkbox=None, line_edit=None, event=None): if DEBUG: print("_emitpysignal called ",button,box) data={} data['button'] = button data['box'] = box data['checkbox'] = checkbox data['line_edit'] = line_edit data['event'] = event data['boxname'] = boxname self.sigMcaCalibrationControlGUISignal.emit(data) class McaCalibrationControlLine(qt.QWidget): def __init__(self, parent=None, name=None, calname="", caldict = None): if caldict is None: caldict = {} qt.QWidget.__init__(self, parent) if name is not None: self.setWindowTitle(name) self.l = qt.QHBoxLayout(self) self.l.setContentsMargins(0, 0, 0, 0) self.l.setSpacing(0) self.build() def build(self): widget = self callabel = qt.QLabel(widget) callabel.setText(str("%s" % 'Calibration')) self.calbox = SimpleComboBox(widget, options=['None', 'Original (from Source)', 'Internal (from Source OR PyMca)']) self.calbox.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Expanding, qt.QSizePolicy.Fixed)) self.calbut = qt.QPushButton(widget) self.calbut.setText('Calibrate') self.calbut.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Fixed, qt.QSizePolicy.Fixed)) self.l.addWidget(callabel) self.l.addWidget(self.calbox) self.l.addWidget(self.calbut) class McaCalibrationInfoLine(qt.QWidget): def __init__(self, parent=None, name=None, calname="", caldict = None): if caldict is None: caldict = {} qt.QWidget.__init__(self, parent) if name is not None:self.setWindowTitle(name) self.caldict=caldict if calname not in self.caldict.keys(): self.caldict[calname] = {} self.caldict[calname]['order'] = 1 self.caldict[calname]['A'] = 0.0 self.caldict[calname]['B'] = 1.0 self.caldict[calname]['C'] = 0.0 self.currentcal = calname self.build() self.setParameters(self.caldict[calname]) def build(self): layout= qt.QHBoxLayout(self) layout.setContentsMargins(0, 0, 0, 0) layout.setSpacing(0) parw = self self.lab= qt.QLabel("Active Curve Uses", parw) layout.addWidget(self.lab) lab= qt.QLabel("A:", parw) layout.addWidget(lab) self.AText= qt.QLineEdit(parw) self.AText.setReadOnly(1) layout.addWidget(self.AText) lab= qt.QLabel("B:", parw) layout.addWidget(lab) self.BText= qt.QLineEdit(parw) self.BText.setReadOnly(1) layout.addWidget(self.BText) lab= qt.QLabel("C:", parw) layout.addWidget(lab) self.CText= qt.QLineEdit(parw) self.CText.setReadOnly(1) layout.addWidget(self.CText) def setParameters(self, pars, name = None): if name is not None: self.currentcal = name if 'order' in pars: order = pars['order'] elif pars["C"] != 0.0: order = 2 else: order = 1 self.AText.setText("%.8g" % pars["A"]) self.BText.setText("%.8g" % pars["B"]) self.CText.setText("%.8g" % pars["C"]) """ if pars['order'] > 1: self.orderbox.setCurrentItem(1) self.CText.setReadOnly(0) else: self.orderbox.setCurrentItem(0) self.CText.setReadOnly(1) """ self.caldict[self.currentcal]["A"] = pars["A"] self.caldict[self.currentcal]["B"] = pars["B"] self.caldict[self.currentcal]["C"] = pars["C"] self.caldict[self.currentcal]["order"] = order class SimpleComboBox(qt.QComboBox): def __init__(self, parent=None, name=None, options=['1','2','3']): qt.QComboBox.__init__(self,parent) self.setOptions(options) def setOptions(self,options=['1','2','3']): self.clear() for item in options: self.addItem(item) def getCurrent(self): return self.currentIndex(), qt.safe_str(self.currentText()) if __name__ == '__main__': app = qt.QApplication(sys.argv) demo = McaCalibrationControlGUI() demo.show() app.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/RGBCorrelatorWidget.py0000644000276300001750000016157713136054446023024 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2017 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os import numpy import traceback from . import RGBCorrelatorSlider from . import RGBCorrelatorTable from PyMca5.PyMcaGui.pymca import RGBImageCalculator from PyMca5 import spslut from PyMca5.PyMcaGui import IconDict from PyMca5.PyMcaIO import ArraySave from PyMca5 import PyMcaDirs from PyMca5.PyMcaCore import EdfFileDataSource from PyMca5.PyMcaGui.pymca import ExternalImagesWindow from PyMca5.PyMcaIO import TiffIO from PyMca5.PyMcaGui.io import PyMcaFileDialogs from PyMca5.PyMcaGui import ScatterPlotCorrelatorWidget DataReader = EdfFileDataSource.EdfFileDataSource USE_STRING = False from PyMca5.PyMcaGui import PyMcaQt as qt if hasattr(qt, "QString"): QString = qt.QString QStringList = qt.QStringList else: QString = str QStringList = list QTVERSION = qt.qVersion() try: from PyMca5.PyMcaGui import NNMADialog NNMA = NNMADialog.NNMA from PyMca5.PyMcaGui import PCADialog PCA = PCADialog.PCA except: NNMA = False PCA = False DEBUG = 0 class RGBCorrelatorWidget(qt.QWidget): sigRGBCorrelatorWidgetSignal = qt.pyqtSignal(object) def __init__(self, parent = None, bgrx = False, replace = False): qt.QWidget.__init__(self, parent) self.replaceOption = replace self.setWindowTitle("RGBCorrelatorWidget") self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(4) self.labelWidget = qt.QWidget(self) self.labelWidget.mainLayout = qt.QGridLayout(self.labelWidget) self.labelWidget.mainLayout.setContentsMargins(0, 0, 0, 0) self.labelWidget.mainLayout.setSpacing(0) alignment = qt.Qt.AlignVCenter | qt.Qt.AlignCenter self.toolBar = qt.QWidget(self) #hbox = qt.QWidget(self.labelWidget) hbox = self.toolBar hbox.mainLayout = qt.QHBoxLayout(hbox) hbox.mainLayout.setContentsMargins(0, 0, 0, 0) hbox.mainLayout.setSpacing(0) self.loadButton = qt.QToolButton(hbox) self.loadButton.setIcon(qt.QIcon(qt.QPixmap(IconDict["fileopen"]))) self.loadButton.setToolTip("Load new images of the same size") self.saveButton = qt.QToolButton(hbox) self.saveButton.setIcon(qt.QIcon(qt.QPixmap(IconDict["filesave"]))) self.saveButton.setToolTip("Save image data to file") self._saveFilter = None self.removeButton = qt.QToolButton(hbox) self.removeButton.setIcon(qt.QIcon(qt.QPixmap(IconDict["remove"]))) self.removeButton.setToolTip("Remove the selected images") self.toggleSlidersButton = qt.QToolButton(hbox) self._slidersOffIcon = qt.QIcon(qt.QPixmap(IconDict["slidersoff"])) self._slidersOnIcon = qt.QIcon(qt.QPixmap(IconDict["sliderson"])) self.toggleSlidersButton.setIcon(self._slidersOffIcon) self.toggleSlidersButton.setToolTip("Toggle sliders show On/Off") self.calculationDialog = None self.calculationButton = qt.QToolButton(hbox) self.calculationButton.setIcon(qt.QIcon(qt.QPixmap(IconDict["sigma"]))) self.calculationButton.setToolTip("Operate with the images") self.profileImageListWidget = None self.profileButton = qt.QToolButton(hbox) self.profileButton.setIcon(qt.QIcon(qt.QPixmap(IconDict["diagonal"]))) self.profileButton.setToolTip("Show selected images profile") #label1 = MyQLabel(self.labelWidget, color = qt.Qt.black) label1 = MyQLabel(self.labelWidget, color = qt.Qt.black) label1.setAlignment(alignment) label1.setText("Image Size") self.__sizeLabel = MyQLabel(self.labelWidget, bold = True, color = qt.Qt.red) self.__sizeLabel.setAlignment(alignment) self.__sizeLabel.setText("No image set") #self.__rowLineEdit = qt.QLineEdit(self.labelWidget) #self.__columnLineEdit = qt.QLineEdit(self.labelWidget) self.__imageResizeButton = qt.QPushButton(self.labelWidget) self.__imageResizeButton.setText("Reshape") hbox.mainLayout.addWidget(self.loadButton) hbox.mainLayout.addWidget(self.saveButton) hbox.mainLayout.addWidget(self.removeButton) hbox.mainLayout.addWidget(self.toggleSlidersButton) hbox.mainLayout.addWidget(self.calculationButton) hbox.mainLayout.addWidget(self.profileButton) hbox.mainLayout.addWidget(qt.HorizontalSpacer(self.toolBar)) #hbox.mainLayout.addWidget(label1) self.labelWidget.mainLayout.addWidget(label1, 0, 0) self.labelWidget.mainLayout.addWidget(self.__sizeLabel, 0, 1) #self.labelWidget.mainLayout.addWidget(self.__rowLineEdit, 1, 0) #self.labelWidget.mainLayout.addWidget(self.__columnLineEdit, 1, 1) self.labelWidget.mainLayout.addWidget(self.__imageResizeButton, 0, 2) self.colormapType = 0 self.buttonGroup = qt.QButtonGroup() g1 = qt.QPushButton(self.labelWidget) g1.setText("Linear") g2 = qt.QPushButton(self.labelWidget) g2.setText("Logarithmic") g3 = qt.QPushButton(self.labelWidget) g3.setText("Gamma") g1.setCheckable(True) g2.setCheckable(True) g3.setCheckable(True) self.buttonGroup.addButton(g1, 0) self.buttonGroup.addButton(g2, 1) self.buttonGroup.addButton(g3, 2) self.buttonGroup.setExclusive(True) self.buttonGroup.button(self.colormapType).setChecked(True) self.labelWidget.mainLayout.addWidget(g1, 1, 0) self.labelWidget.mainLayout.addWidget(g2, 1, 1) self.labelWidget.mainLayout.addWidget(g3, 1, 2) self.buttonGroup.setExclusive(True) self.sliderWidget = RGBCorrelatorSlider.RGBCorrelatorSlider(self, autoscalelimits=[5.0, 80.0]) self.tableWidget = RGBCorrelatorTable.RGBCorrelatorTable(self) self.mainLayout.addWidget(self.toolBar) self.mainLayout.addWidget(self.labelWidget) self.mainLayout.addWidget(self.sliderWidget) self.mainLayout.addWidget(self.tableWidget) if bgrx: self.bgrx = "BGRX" else: self.bgrx = "RGBX" self._imageList = [] self._imageDict = {} self.__imageLength = None self.__redLabel = None self.__greenLabel = None self.__blueLabel = None self.__redImageData = None self.__greenImageData = None self.__blueImageData = None self.__redMin = 0.0 self.__redMax = 100.0 self.__greenMin = 0.0 self.__greenMax = 100.0 self.__blueMin = 0.0 self.__blueMax = 0.0 self.__redImage = None self.__greenImage = None self.__blueImage = None self.outputDir = None self.loadButton.clicked.connect(self._addFileList) self.saveButton.clicked.connect(self.saveButtonClicked) self._saveButtonMenu = qt.QMenu() self._saveButtonMenu.addAction(QString("Save all"), self.saveImageList) self._saveButtonMenu.addAction(QString("Save selected"), self.saveSelectedImages) self.removeButton.clicked.connect(self.removeButtonClicked) self.toggleSlidersButton.clicked.connect(self.toggleSliders) self.calculationButton.clicked.connect(self._showCalculationDialog) self.calculationButton.clicked.connect(self._showCalculationDialog) self.profileButton.clicked.connect(self.profileSelectedImages) self._calculationMenu = None self.scatterPlotWidget = None self.pcaDialog = None self.nnmaDialog = None self.__imageResizeButton.clicked.connect(self._imageResizeSlot) self.sliderWidget.sigRGBCorrelatorSliderSignal.connect(self._sliderSlot) self.tableWidget.sigRGBCorrelatorTableSignal.connect(self._tableSlot) self.buttonGroup.buttonClicked[int].connect(self._colormapTypeChange) def _showCalculationDialog(self): if (not NNMA) and (not PCA): return self.showCalculationDialog() if self._calculationMenu is None: self._calculationMenu = qt.QMenu() self._calculationMenu.addAction(QString("Image Calculator"), self.showCalculationDialog) self._calculationMenu.addAction(QString("Scatter Plot"), self.showScatterPlotDialog) if PCA: if PCADialog.MDP: self._calculationMenu.addAction(QString("PCA/ICA Analysis"), self.showPCADialog) else: self._calculationMenu.addAction(QString("PCA Analysis"), self.showPCADialog) if NNMA: self._calculationMenu.addAction(QString("NNMA Analysis"), self.showNNMADialog) self._calculationMenu.exec_(self.cursor().pos()) def toggleSliders(self): if self.sliderWidget.isHidden(): self.sliderWidget.show() self.toggleSlidersButton.setIcon(self._slidersOffIcon) else: self.sliderWidget.hide() self.toggleSlidersButton.setIcon(self._slidersOnIcon) def _sliderSlot(self, ddict): if DEBUG: print("RGBCorrelatorWidget._sliderSlot()") if self.__imageLength is None: return tableDict = self.tableWidget.getElementSelection() if ddict['event'] == 'redChanged': self.__redMin = ddict['min'] self.__redMax = ddict['max'] if len(tableDict['r']): self.__recolor(['r']) elif ddict['event'] == 'greenChanged': self.__greenMin = ddict['min'] self.__greenMax = ddict['max'] if len(tableDict['g']): self.__recolor(['g']) elif ddict['event'] == 'blueChanged': self.__blueMin = ddict['min'] self.__blueMax = ddict['max'] if len(tableDict['b']): self.__recolor(['b']) elif ddict['event'] == 'allChanged': self.__redMin = ddict['red'][0] self.__redMax = ddict['red'][1] self.__greenMin = ddict['green'][0] self.__greenMax = ddict['green'][1] self.__blueMin = ddict['blue'][0] self.__blueMax = ddict['blue'][1] if not len(tableDict['r']): if not len(tableDict['g']): if not len(tableDict['b']): return self.__recolor(['r', 'g', 'b']) def _tableSlot(self, ddict): if DEBUG: print("RGBCorrelatorWidget._tableSlot()") if self.__imageLength is None: return if ddict['r'] == []:ddict['r'] = None if ddict['g'] == []:ddict['g'] = None if ddict['b'] == []:ddict['b'] = None if ddict['r'] is None: self.__redImageData = numpy.zeros(self.__imageShape).astype(numpy.float) self.__redLabel = None else: self.__redLabel = ddict['elementlist'][ddict['r'][0]] self.__redImageData = self._imageDict[self.__redLabel]['image'] if ddict['g'] is None: self.__greenImageData = numpy.zeros(self.__imageShape).astype(numpy.float) self.__greenLabel = None else: self.__greenLabel = ddict['elementlist'][ddict['g'][0]] self.__greenImageData = self._imageDict[self.__greenLabel]['image'] if ddict['b'] is None: self.__blueImageData = numpy.zeros(self.__imageShape).astype(numpy.float) self.__blueLabel = None else: self.__blueLabel = ddict['elementlist'][ddict['b'][0]] self.__blueImageData = self._imageDict[self.__blueLabel]['image'] self.__recolor(['r', 'g', 'b']) def __recolor(self, color = None): if color is None: colorlist = ['r', 'g', 'b'] elif type(color) == type(""): colorlist = [color] else: colorlist = color * 1 ddict = {} ddict['event'] = 'updated' if 'r' in colorlist: #get slider label = self.__redLabel if label is None: valmin = 0.0 valmax = 1.0 else: valmin = self._imageDict[label]['min'] valmax = self._imageDict[label]['max'] delta = 0.01 * (valmax - valmin) valmin = valmin + delta * self.__redMin valmax = valmin + delta * self.__redMax if USE_STRING: red, size, minmax = self.getColorImage(self.__redImageData, spslut.RED, valmin, valmax, 0) self.__redImage = numpy.array(red).astype(numpy.uint8) ddict['red'] = red else: red, size, minmax = self.getColorImage(self.__redImageData, spslut.RED, valmin, valmax, 1) self.__redImage = red ddict['red'] = red.tostring() ddict['size']= size if 'g' in colorlist: #get slider label = self.__greenLabel if label is None: valmin = 0.0 valmax = 1.0 else: valmin = self._imageDict[label]['min'] valmax = self._imageDict[label]['max'] delta = 0.01 * (valmax - valmin) valmin = valmin + delta * self.__greenMin valmax = valmin + delta * self.__greenMax if USE_STRING: green, size, minmax = self.getColorImage(self.__greenImageData, spslut.GREEN, valmin, valmax) self.__greenImage = numpy.array(green).astype(numpy.uint8) ddict['green'] = green else: green, size, minmax = self.getColorImage(self.__greenImageData, spslut.GREEN, valmin, valmax,1) self.__greenImage = green ddict['green'] = green.tostring() ddict['size']= size if 'b' in colorlist: #get slider label = self.__blueLabel if label is None: valmin = 0.0 valmax = 1.0 else: valmin = self._imageDict[label]['min'] valmax = self._imageDict[label]['max'] #if valmax == valmin:valmax = valmin + 1 delta = 0.01 * (valmax - valmin) valmin = valmin + delta * self.__blueMin valmax = valmin + delta * self.__blueMax if USE_STRING: blue, size, minmax = self.getColorImage(self.__blueImageData, spslut.BLUE, valmin, valmax) self.__blueImage = numpy.array(blue).astype(numpy.uint8) ddict['blue'] = blue else: blue, size, minmax = self.getColorImage(self.__blueImageData, spslut.BLUE, valmin, valmax,1) self.__blueImage = blue ddict['blue'] = blue.tostring() ddict['size'] = size image = self.__redImage + self.__greenImage + self.__blueImage ddict['image'] = image self.sigRGBCorrelatorWidgetSignal.emit(ddict) def _colormapTypeChange(self, val): self.colormapType = val self.__recolor() def getColorImage(self, image, colormap, datamin=None, datamax=None, arrayflag = 0): COLORMAPLIST = [spslut.GREYSCALE, spslut.REVERSEGREY, spslut.TEMP, spslut.RED, spslut.GREEN, spslut.BLUE, spslut.MANY] if colormap not in COLORMAPLIST: raise ValueError("Unknown color scheme %s" % colormap) if (datamin is None) or (datamax is None): #spslut already calculates min and max #tmp = numpy.ravel(image) (image_buffer, size, minmax)= spslut.transform(image, (1,0), (self.colormapType,3.0), self.bgrx, colormap, 1, (0,1), (0,255),arrayflag) #(min(tmp),max(tmp))) else: (image_buffer, size, minmax)= spslut.transform(image, (1,0), (self.colormapType,3.0), self.bgrx, colormap, 0, (datamin, datamax), (0,255), arrayflag) return image_buffer, size, minmax def addImage(self, image0, label = None): image = numpy.array(image0).astype(numpy.float) if label is None: label = "Unnamed 00" i = 0 while(label in self._imageList): i += 1 label = "Unnamed %02d" % i if not len(image): return firstTime = False if self.__imageLength is None: if not len(image.shape): return self.__imageLength = 1 for value in image.shape: self.__imageLength *= value if len(image.shape) == 1: image = numpy.resize(image, (image.shape[0], 1)) self.__imageShape = image.shape self._updateSizeLabel() firstTime = True if image.shape != self.__imageShape: length = 1 for value in image.shape: length *= value if length == self.__imageLength: image = numpy.resize(image, (self.__imageShape[0], self.__imageShape[1])) else: raise ValueError("Image cannot be reshaped to %d x %d" % \ (self.__imageShape[0], self.__imageShape[1])) if label not in self._imageList: self._imageList.append(label) self._imageDict[label] = {} self._imageDict[label]['image'] = image tmp = numpy.ravel(image) self._imageDict[label]['min'] = min(tmp) self._imageDict[label]['max'] = max(tmp) self.tableWidget.build(self._imageList) i = 0 for label in self._imageList: mintext = "%g" % self._imageDict[label]['min'] maxtext = "%g" % self._imageDict[label]['max'] item = self.tableWidget.item(i, 4) if item is None: item = qt.QTableWidgetItem(mintext, qt.QTableWidgetItem.Type) item.setTextAlignment(qt.Qt.AlignHCenter | qt.Qt.AlignVCenter) item.setFlags(qt.Qt.ItemIsEnabled) self.tableWidget.setItem(i, 4, item) else: item.setText(mintext) item = self.tableWidget.item(i, 5) if item is None: item = qt.QTableWidgetItem(maxtext, qt.QTableWidgetItem.Type) item.setTextAlignment(qt.Qt.AlignHCenter | qt.Qt.AlignVCenter) item.setFlags(qt.Qt.ItemIsEnabled) self.tableWidget.setItem(i, 5, item) else: item.setText(maxtext) i += 1 if firstTime: self.tableWidget.setElementSelection({'r':[0]}) #, 'g':[0],'b':[0]}) self.sliderWidget.autoScaleFromAToB() #self.__recolor() #self.tableWidget._update() if self.calculationDialog is not None: self.calculationDialog.imageList = self._imageList self.calculationDialog.imageDict = self._imageDict def removeButtonClicked(self): itemList = self.tableWidget.selectedItems() labelList = [] nImages = len(self._imageList) for item in itemList: row = item.row() if row < nImages: labelList.append(self._imageList[row]) for label in labelList: self.removeImage(label) def removeImage(self, label): if label not in self._imageList:return self._imageDict[label] = {} del self._imageDict[label] del self._imageList[self._imageList.index(label)] if self.__redLabel == label: self.__redLabel = None if self.__greenLabel == label: self.__greenLabel = None if self.__blueLabel == label:self.__blueLabel = None self.tableWidget.build(self._imageList) self.tableWidget._update() if self.calculationDialog is not None: self.calculationDialog.imageList = self._imageList self.calculationDialog.imageDict = self._imageDict def removeImageSlot(self, ddict): if type(ddict) == type({}): self.removeImage(ddict['label']) else: self.removeImage(ddict) def replaceImageSlot(self, ddict): self.reset() self.addImageSlot(ddict) def _imageResizeSlot(self): if self.__imageLength is None: return dialog = ImageShapeDialog(self, shape = self.__imageShape) dialog.setModal(True) ret = dialog.exec_() if ret: shape = dialog.getImageShape() dialog.close() del dialog try: if (shape[0]*shape[1]) <= 0: self.reset() else: self.setImageShape(shape) except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Error reshaping: %s" % sys.exc_info()[1]) msg.exec_() def setImageShape(self, shape): if self.__imageLength is None: return length = 1 for value in shape: length *= value if length != self.__imageLength: raise ValueError("New length %d different of old length %d" % \ (length, self.__imageLength)) self.__imageShape = shape self._updateSizeLabel() for key in self._imageDict.keys(): self._imageDict[key]['image'].shape = shape self.tableWidget._update() def transposeImages(self): if self.__imageLength is None: return shape=[self.__imageShape[0], self.__imageShape[1]] shape.reverse() length = 1 for value in shape: length *= value if length != self.__imageLength: raise ValueError("New length %d different of old length %d" % \ (length, self.__imageLength)) self.__imageShape = (shape[0], shape[1]) self._updateSizeLabel() for key in self._imageDict.keys(): self._imageDict[key]['image'] = self._imageDict[key]['image'].T self.tableWidget._update() def _updateSizeLabel(self): if self.__imageLength is None: self.__sizeLabel.setText("No image set") return text = "" n = len(self.__imageShape) for i in range(n): value = self.__imageShape[i] if i == (n-1): text += " %d" % value else: text += " %d x" % value self.__sizeLabel.setText(text) def reset(self): #ask the possible graph client to delete the image self._tableSlot({'r':[],'g':[],'b':[]}) self._imageList = [] self._imageDict = {} self.__imageLength = None self.__imageShape = None self.__redLabel = None self.__greenLabel = None self.__blueLabel = None self.__redImageData = None self.__greenImageData = None self.__blueImageData = None self.__redMin = 0.0 self.__redMax = 100.0 self.__greenMin = 0.0 self.__greenMax = 100.0 self.__blueMin = 0.0 self.__blueMax = 0.0 self.__redImage = None self.__greenImage = None self.__blueImage = None self._updateSizeLabel() self.tableWidget.setRowCount(0) def update(self): self.__recolor() def getOutputFileNameAndFilter(self): initdir = PyMcaDirs.outputDir if self.outputDir is not None: if os.path.exists(self.outputDir): initdir = self.outputDir formatlist = ["ASCII Files *.dat", "EDF Files *.edf", "EDF(Float32) Files *.edf", "Single TIFF(Float32 Mono) Files *.tif", "Single TIFF(Mono) Files *.tif", "Several TIFF(Float32 Mono) Files *.tif", "Several TIFF(Mono) Files *.tif", 'CSV(, separated) Files *.csv', 'CSV(; separated) Files *.csv', 'CSV(tab separated) Files *.csv'] if self._saveFilter is None: self._saveFilter =formatlist[0] filelist, filterused = PyMcaFileDialogs.getFileList(parent=self, filetypelist=formatlist, message="Get output filename", currentdir=initdir, mode="SAVE", getfilter=True, single=True, currentfilter=self._saveFilter, native=False) self._saveFilter = "%s" % filterused if len(filelist): return filelist[0], filterused else: return "", filterused return filelist def getOutputFileName(self): initdir = PyMcaDirs.outputDir if self.outputDir is not None: if os.path.exists(self.outputDir): initdir = self.outputDir filedialog = qt.QFileDialog(self) filedialog.setFileMode(filedialog.AnyFile) filedialog.setAcceptMode(qt.QFileDialog.AcceptSave) filedialog.setWindowIcon(qt.QIcon(qt.QPixmap(IconDict["gioconda16"]))) formatlist = ["ASCII Files *.dat", "EDF Files *.edf", "EDF(Float32) Files *.edf", "TIFF(Float32 Mono) Files *.tif", "TIFF(Mono) Files *.tif", 'CSV(, separated) Files *.csv', 'CSV(; separated) Files *.csv', 'CSV(tab separated) Files *.csv'] strlist = QStringList() for f in formatlist: strlist.append(f) if self._saveFilter is None: self._saveFilter =formatlist[0] if hasattr(filedialog, "setFilters"): filedialog.setFilters(strlist) filedialog.selectFilter(self._saveFilter) else: filedialog.setNameFilters(strlist) filedialog.selectNameFilter(self._saveFilter) filedialog.setDirectory(initdir) ret = filedialog.exec_() if not ret: return "" filename = filedialog.selectedFiles()[0] if len(filename): filename = "%s" % filename self.outputDir = os.path.dirname(filename) if hasattr(filedialog, "selectedFilter"): self._saveFilter = "%s" % filedialog.selectedFilter() else: self._saveFilter = "%s" % filedialog.selectedNameFilter() filterused = "."+self._saveFilter[-3:] PyMcaDirs.outputDir = os.path.dirname(filename) if len(filename) < 4: filename = filename+ filterused elif filename[-4:] != filterused : if filterused in ['.tif'] and filename[-4:] == 'tiff': #do not append .tif to the file name pass else: filename = filename+ filterused else: filename = "" return filename def getInputFileName(self, getfilter=False): initdir = PyMcaDirs.inputDir filedialog = qt.QFileDialog(self) filedialog.setFileMode(filedialog.ExistingFiles) filedialog.setAcceptMode(qt.QFileDialog.AcceptOpen) filedialog.setWindowIcon(qt.QIcon(qt.QPixmap(IconDict["gioconda16"]))) formatlist = ["ASCII Files *dat", "EDF Files *edf", "EDF Files *ccd", "CSV Files *csv", "TIFF Files *tiff *tif", "TextImage Files *txt", "All Files *"] strlist = QStringList() for f in formatlist: strlist.append(f) if hasattr(filedialog, "setFilters"): filedialog.setFilters(strlist) else: filedialog.setNameFilters(strlist) filedialog.setDirectory(initdir) ret = filedialog.exec_() if not ret: if getfilter: return [""], None else: return [""] filename = filedialog.selectedFiles() filterused = None if len(filename): filename = ["%s" % fname for fname in filename] self.outputDir = os.path.dirname(filename[0]) PyMcaDirs.inputDir = os.path.dirname(filename[0]) if getfilter: if hasattr(filedialog, "selectedFilter"): filterused = "%s" % filedialog.selectedFilter() else: filterused = "%s" % filedialog.selectedNameFilter() else: filename = [""] if getfilter: return filename, filterused else: return filename def _addFileList(self): self.addFileList() def addFileList(self, filelist = None, filterused=""): if filelist is None: filelist, filterused = self.getInputFileName(getfilter=True) if filterused is None: filterused = "" if not len(filelist[0]): return self.outputDir = os.path.dirname(filelist[0]) try: for fname in filelist: if fname.lower().split(".")[-1] in ["jpg","jpeg", "tif","tiff", "png"]: if fname.lower().split(".")[-1] in ["tif", "tiff"]: #try the built in support try: tif = TiffIO.TiffIO(fname) nImages = tif.getNumberOfImages() if nImages > 0: for nImage in range(nImages): info = tif.getInfo(nImage)['info'] imgData = tif.getImage(nImage) title = "%04d/%d" % (nImage+1, nImages) if 'Title' in info: title = info.get('Title') elif nImages > 1: title = "%04d/%d " % (nImage+1, nImages) title += os.path.basename(fname) else: title = os.path.basename(fname) if len(imgData.shape) == 3: #color image colorIndex = 0 for component in ['R', 'G', 'B']: self.addImage(imgData[:,:,colorIndex].astype(numpy.float), title + '_' + component) colorIndex += 1 data = imgData[:,:,0] * 0.114 +\ imgData[:,:,1] * 0.587 +\ imgData[:,:,2] * 0.299 self.addImage(data, title) else: self.addImage(imgData, title) continue except: if DEBUG: print("Built-in tif support unsuccessful") pass #try a pure image format from PyQt qimage = qt.QImage(fname) if qimage.isNull(): msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Cannot read file %s as an image" % fname) msg.exec_() return #convert to black and white height = qimage.height() width = qimage.width() if qimage.format() == qt.QImage.Format_Indexed8: pixmap0 = numpy.fromstring(qimage.bits().asstring(width * height), dtype = numpy.uint8) pixmap = numpy.zeros((height * width, 4), numpy.uint8) pixmap[:,0] = pixmap0[:] pixmap[:,1] = pixmap0[:] pixmap[:,2] = pixmap0[:] pixmap[:,3] = 255 pixmap.shape = height, width, 4 else: image = qimage.convertToFormat(qt.QImage.Format_ARGB32) pixmap = numpy.fromstring(qimage.bits().asstring(width * height * 4), dtype = numpy.uint8) pixmap.shape = height, width, -1 data = pixmap[:,:,0] * 0.114 +\ pixmap[:,:,1] * 0.587 +\ pixmap[:,:,2] * 0.299 self.addImage(data, os.path.basename(fname)) elif self._isEdf(fname): source = DataReader(fname) for key in source.getSourceInfo()['KeyList']: dataObject = source.getDataObject(key) title = dataObject.info.get("Title", key) self.addImage(dataObject.data, os.path.basename(fname)+" "+title) elif filterused.upper().startswith("TEXTIMAGE"): data = numpy.loadtxt(fname) self.addImage(data, os.path.basename(fname)) else: if len(fname) < 5: self.addBatchDatFile(fname, csv=False) elif fname[-4:].lower() == ".csv": self.addBatchDatFile(fname, csv=True) else: self.addBatchDatFile(fname, csv=False) except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Error adding file: %s" % sys.exc_info()[1]) msg.setInformativeText(str(sys.exc_info()[1])) msg.setDetailedText(traceback.format_exc()) msg.exec_() if DEBUG: raise def addBatchDatFile(self, filename, ignoresigma=None, csv=False): self.outputDir = os.path.dirname(filename) if 1 or csv: if 0: #This works but is potentially slow f = open("filename") lines = f.readlines() f.close() for i in range(len(lines)): lines[i] = lines[i].replace('"','') lines[i] = lines[i].replace(","," ") lines[i] = lines[i].replace(";"," ") labels = lines[0].replace("\n","").split(" ") else: if sys.platform == "win32": f = open(filename, "rb") else: f = open(filename, "r") lines =f.read() f.close() if sys.version < '3.0': pass else: lines = lines.decode() lines = lines.replace("\r","\n") lines = lines.replace("\n\n","\n") lines = lines.replace(","," ") lines = lines.replace("\t"," ") lines = lines.replace(";"," ") lines = lines.replace('"','') lines = lines.split("\n") labels = lines[0].replace("\n","").split(" ") else: # This does not work when opening under linux # .dat files generated under windows (\r problem) f = open(filename) lines = f.readlines() f.close() labels = lines[0].replace("\n","").split(" ") i = 1 while (not len( lines[-i].replace("\n",""))): i += 1 nlabels = len(labels) nrows = len(lines) - i if ignoresigma is None: iterationList = [2] if len(labels) > 4: for i in range(3, len(labels)): if len(labels[i]) <= 5: iterationList.append(i) elif labels[i] == ("s("+labels[i-1]+")"): continue else: iterationList.append(i) else: iterationList = range(2, nlabels) elif ignoresigma: iterationList = [2] if len(labels) > 4: for i in range(3, len(labels)): if len(labels[i]) <= 5: iterationList.append(i) elif labels[i] == ("s("+labels[i-1]+")"): continue else: iterationList.append(i) else: iterationList = range(2, nlabels) else: iterationList = range(2, nlabels) totalArray = numpy.zeros((nrows, nlabels), numpy.float) for i in range(nrows): totalArray[i, :] = [float(x) for x in lines[i+1].split()] nrows = int(max(totalArray[:,0]) + 1) ncols = int(max(totalArray[:,1]) + 1) singleArray = numpy.zeros((nrows* ncols, 1), numpy.float) for i in iterationList: singleArray[:, 0] = totalArray[:,i] * 1 self.addImage(numpy.resize(singleArray, (nrows, ncols)), labels[i]) def _isEdf(self, filename): f = open(filename, 'rb') twoBytes = f.read(2) f.close() if sys.version < '3.0': twoChar = twoBytes else: try: twoChar = twoBytes.decode('utf-8') except: twoChar = "__dummy__" if twoChar in ["II", "MM", "\n{"] or\ twoChar[0] in ["{"] or\ filename.lower().endswith('cbf')or\ (filename.lower().endswith('spe') and twoChar[0] not in ["$"]): #very likely wrapped as EDF return True return False def saveButtonClicked(self): self._saveButtonMenu.exec_(self.cursor().pos()) def saveSelectedImages(self): itemList = self.tableWidget.selectedItems() saveList = [] imageList = [] nImages = len(self._imageList) for item in itemList: row = item.row() if row >= nImages: errorText = "Requested to save non existing \nimage number %d." % row qt.QMessageBox.critical(self,"ValueError", errorText) return saveList.append(row) saveList.sort() for index in saveList: imageList.append(self._imageList[index]) self.saveImageList(imagelist=imageList) def saveImageList(self, filename=None, imagelist=None): if imagelist is None: imageList = self._imageList else: imageList = imagelist if not len(imageList): qt.QMessageBox.information(self,"No Data", "Image list is empty.\nNothing to be saved") return if filename is None: filename, filterused = self.getOutputFileNameAndFilter() if not len(filename): return else: filterused = None datalist = [] labels = [] for label in imageList: datalist.append(self._imageDict[label]['image']) labels.append(label.replace(" ","_")) fileRoot = os.path.splitext(filename)[0] fileExtension = os.path.splitext(filename)[-1].lower() if fileExtension in [".edf"]: if 'Float32'in self._saveFilter: dtype = numpy.float32 ArraySave.save2DArrayListAsEDF(datalist, filename, labels, dtype) else: ArraySave.save2DArrayListAsEDF(datalist, filename, labels) elif fileExtension in [".tif", ".tiff"]: if 'Float32'in self._saveFilter: dtype = numpy.float32 else: dtype = None severalFiles = False if len(datalist) > 1: if filterused is not None: if filterused.lower().startswith("several"): severalFiles = True elif self._saveFilter.lower().startswith("several"): severalFiles = True if severalFiles: for idx in range(len(labels)): fname = fileRoot + labels[idx] + fileExtension ArraySave.save2DArrayListAsMonochromaticTiff(\ [datalist[idx]], fname, labels=[labels[idx]], dtype=dtype) else: ArraySave.save2DArrayListAsMonochromaticTiff(datalist, filename, labels=labels, dtype=dtype) elif fileExtension in [".csv"]: if "," in self._saveFilter: csvseparator = "," elif ";" in self._saveFilter: csvseparator = ";" else: csvseparator = "\t" ArraySave.save2DArrayListAsASCII(datalist, filename, labels, csv=True, csvseparator=csvseparator) else: ArraySave.save2DArrayListAsASCII(datalist, filename, labels, csv=False) def showCalculationDialog(self): if self.calculationDialog is None: self.calculationDialog = RGBImageCalculator.RGBImageCalculator(replace=self.replaceOption) self.calculationDialog.sigAddImageClicked.connect(self.addImageSlot) self.calculationDialog.sigRemoveImageClicked.connect( \ self.removeImage) if self.replaceOption: self.calculationDialog.sigReplaceImageClicked.connect( \ self.replaceImageSlot) self.calculationDialog.imageList = self._imageList self.calculationDialog.imageDict = self._imageDict if self.calculationDialog.isHidden(): self.calculationDialog.show() self.calculationDialog.raise_() def showScatterPlotDialog(self): if self.scatterPlotWidget is None: self.scatterPlotWidget = \ ScatterPlotCorrelatorWidget.ScatterPlotCorrelatorWidget(\ labels=("Legend", "X", "Y"), types=("Text","RadioButton", "RadioButton")) self.scatterPlotWidget.show() self.scatterPlotWidget.raise_() # I should check if the list is to be updated instead of systematically # send it initialize = True for label in self._imageList: item = self._imageDict[label]["image"] if initialize: self.scatterPlotWidget.setSelectableItemList([item], labels=[label]) initialize = False else: self.scatterPlotWidget.addSelectableItem(item, label=label) if self.scatterPlotWidget.isHidden(): self.scatterPlotWidget.show() self.scatterPlotWidget.raise_() def getSelectedDataList(self): itemList = self.tableWidget.selectedItems() nImages = len(self._imageList) datalist = [] for item in itemList: row = item.row() if row >= nImages: errorText = "Requested to work with non existing \nimage number %d." % row qt.QMessageBox.critical(self,"ValueError", errorText) return label = self._imageList[row] datalist.append(self._imageDict[label]['image']) return datalist def showPCADialog(self): if self.pcaDialog is None: self.pcaDialog = PCADialog.PCADialog(rgbwidget=self, selection=False) self.pcaDialog.pcaWindow.\ buildAndConnectImageButtonBox(self.replaceOption) self.pcaDialog.pcaWindow.sigMaskImageWidgetSignal.connect(\ self.maskImageSlot) datalist = self.getSelectedDataList() if len(datalist) < 2: errorText = "Please select at least two images" qt.QMessageBox.critical(self,"ValueError", errorText) return self.pcaDialog.setData(datalist) self.pcaDialog.show() self.pcaDialog.raise_() def showNNMADialog(self): if self.nnmaDialog is None: self.nnmaDialog = NNMADialog.NNMADialog(rgbwidget=self, selection=False) self.nnmaDialog.nnmaWindow.\ buildAndConnectImageButtonBox(self.replaceOption) self.nnmaDialog.nnmaWindow.sigMaskImageWidgetSignal.connect(\ self.maskImageSlot) datalist = self.getSelectedDataList() if len(datalist) < 2: errorText = "Please select at least two images" qt.QMessageBox.critical(self,"ValueError", errorText) return self.nnmaDialog.setData(datalist) self.nnmaDialog.show() self.nnmaDialog.raise_() def maskImageSlot(self, ddict): if ddict['event'] == "addImageClicked": ddict['label'] = ddict['title'] self.addImageSlot(ddict) return if ddict['event'] == "replaceImageClicked": ddict['label'] = ddict['title'] self.replaceImageSlot(ddict) return if ddict['event'] == "removeImageClicked": ddict['label'] = ddict['title'] self.removeImageSlot(ddict) return def addImageSlot(self, ddict): self.addImage(ddict['image'], ddict['label']) def closeEvent(self, event): if self.calculationDialog is not None: self.calculationDialog.close() if self.profileImageListWidget is not None: self.profileImageListWidget.close() qt.QWidget.closeEvent(self, event) """ #This was for debugging #left out in order to skip PIL from the list of #packages when building binaries. def tiffExport(self, filename = "test.tif"): import Image Image.preinit() image = self.__redImage + self.__greenImage + self.__blueImage width = self.__imageShape[0] height = self.__imageShape[1] pilImage = Image.fromstring("RGBX",(width,height),image) if os.path.exists(filename): os.remove(filename) pilImage.save(filename) """ def profileSelectedImages(self): itemList = self.tableWidget.selectedItems() if len(itemList) < 1: errorText = "Please select at least one row in the table" qt.QMessageBox.critical(self,"ValueError", errorText) return profileList = [] imageList = [] imageNames = [] for item in itemList: row = item.row() profileList.append(row) for index in profileList: name = self._imageList[index] imageList.append(self._imageDict[name]['image']) imageNames.append(name) self.profileImageList(imagelist=imageList, imagenames=imageNames) def profileImageList(self, imagelist=None, imagenames=None): if imagelist in [None, []]: return if self.profileImageListWidget is None: self.profileImageListWidget= ExternalImagesWindow.ExternalImagesWindow(None,\ crop=False, imageicons=False, profileselection=True, depthselection=True) self.profileImageListWidget.setImageList(imagelist=imagelist, imagenames=imagenames) self.profileImageListWidget.show() class ImageShapeDialog(qt.QDialog): def __init__(self, parent = None, shape = None): qt.QDialog.__init__(self, parent) self.mainLayout = qt.QGridLayout(self) label1 = MyQLabel(self, bold = False, color= qt.Qt.black) label1.setText("Number of rows = ") self.rows = qt.QLineEdit(self) self._size = None self.columns = qt.QLineEdit(self) if shape is not None: self.rows.setText("%g" % shape[0]) self.columns.setText("%g" % shape[1]) self._size = shape[0] * shape[1] self._shape = shape if QTVERSION < '4.0.0': self.setCaption("Resize %d x %d image" % (shape[0], shape[1])) else: self.setWindowTitle("Reshape %d x %d image" % (shape[0], shape[1])) label2 = MyQLabel(self, bold = False, color= qt.Qt.black) label2.setText("Number of columns = ") self.cancelButton = qt.QPushButton(self) self.cancelButton.setText("Dismiss") self.okButton = qt.QPushButton(self) self.okButton.setText("Accept") self.cancelButton.setAutoDefault(False) self.okButton.setAutoDefault(False) self.rows.editingFinished[()].connect(self._rowsChanged) self.columns.editingFinished[()].connect(self._columnsChanged) self.mainLayout.addWidget(label1, 0, 0) self.mainLayout.addWidget(self.rows, 0, 1) self.mainLayout.addWidget(label2, 1, 0) self.mainLayout.addWidget(self.columns, 1, 1) self.mainLayout.addWidget(self.cancelButton, 2, 0) self.mainLayout.addWidget(self.okButton, 2, 1) self.cancelButton.clicked.connect(self.reject) self.okButton.clicked.connect(self.accept) def _rowsChanged(self): nrows, ncolumns = self.getImageShape() if (nrows * ncolumns) != self._size: self.columns.setText("%g" % (self._size/float(nrows))) def _columnsChanged(self): nrows, ncolumns = self.getImageShape() if (nrows * ncolumns) != self._size: self.rows.setText("%g" % (self._size/float(ncolumns))) def getImageShape(self): text = "%s" % self.rows.text() if len(text): nrows = int(float(text)) else: nrows = 0 text = "%s" % self.columns.text() if len(text): ncolumns = int(float(text)) else: ncolumns = 0 return nrows, ncolumns def accept(self): if self._size is None:return qt.QDialog.accept(self) nrows, ncolumns = self.getImageShape() try: if (nrows * ncolumns) == self._size: return qt.QDialog.accept(self) else: self.rows.setText("%g" % self._shape[0]) self.columns.setText("%g" % self._shape[1]) msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Invalid shape %d x %d" % (nrows, ncolumns)) msg.exec_() except: self.rows.setText("%g" % self._shape[0]) self.columns.setText("%g" % self._shape[1]) msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Error reshaping: %s" % sys.exc_info()[1]) msg.exec_() class MyQLabel(qt.QLabel): def __init__(self,parent=None,name=None,fl=0,bold=True, color= qt.Qt.red): qt.QLabel.__init__(self,parent) if qt.qVersion() <'4.0.0': self.color = color self.bold = bold else: palette = self.palette() role = self.foregroundRole() palette.setColor(role,color) self.setPalette(palette) self.font().setBold(bold) if qt.qVersion() < '4.0.0': def drawContents(self, painter): painter.font().setBold(self.bold) pal =self.palette() pal.setColor(qt.QColorGroup.Foreground,self.color) self.setPalette(pal) qt.QLabel.drawContents(self,painter) painter.font().setBold(0) def test(): from PyMca5 import RGBCorrelatorGraph app = qt.QApplication([]) app.lastWindowClosed.connect(app.quit) container = qt.QSplitter() #containerLayout = qt.QHBoxLayout(container) w = RGBCorrelatorWidget(container) graph = RGBCorrelatorGraph.RGBCorrelatorGraph(container) def slot(ddict): if 'image' in ddict: image_buffer = ddict['image'].tostring() size = ddict['size'] graph.graph.pixmapPlot(image_buffer,size) graph.graph.replot() w.sigRGBCorrelatorWidgetSignal.connect(slot) import getopt options='' longoptions=[] opts, args = getopt.getopt( sys.argv[1:], options, longoptions) for opt,arg in opts: pass filelist=args if len(filelist): try: import DataSource DataReader = DataSource.DataSource except: import EdfFileDataSource DataReader = EdfFileDataSource.EdfFileDataSource for fname in filelist: source = DataReader(fname) for key in source.getSourceInfo()['KeyList']: dataObject = source.getDataObject(key) w.addImage(dataObject.data, os.path.basename(fname)+" "+key) else: array1 = numpy.arange(10000) array2 = numpy.resize(numpy.arange(10000), (100, 100)) array2 = numpy.transpose(array2) array3 = array1 * 1 w.addImage(array1) w.addImage(array2) w.addImage(array3) w.setImageShape([100, 100]) #containerLayout.addWidget(w) #containerLayout.addWidget(graph) container.show() app.exec_() if __name__ == "__main__": test() PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/QDispatcher.py0000644000276300001750000004222213136054446021401 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2017 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os import traceback from PyMca5.PyMcaGui import PyMcaQt as qt QTVERSION = qt.qVersion() from PyMca5.PyMcaGui.io import QSourceSelector from . import QDataSource #import weakref DEBUG = 0 class QDispatcher(qt.QWidget): sigAddSelection = qt.pyqtSignal(object) sigRemoveSelection = qt.pyqtSignal(object) sigReplaceSelection = qt.pyqtSignal(object) sigOtherSignals = qt.pyqtSignal(object) def __init__(self, parent=None, pluginsIcon=False): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(0) self.sourceList = [] fileTypeList = ["Spec Files (*mca)", "Spec Files (*dat)", "Spec Files (*spec)", "SPE Files (*SPE *spe)", "EDF Files (*edf)", "EDF Files (*ccd)", "TIFF Files (*.tif *.tiff *.TIF *.TIFF)", "CSV Files (*csv)", "JCAMP-DX Files (*.jdx *.JDX *.dx *.DX)"] if QDataSource.NEXUS: fileTypeList.append("HDF5 Files (*.nxs *.hdf *.h5 *.hdf5)") fileTypeList.append("All Files (*)") self.sourceSelector = QSourceSelector.QSourceSelector(self, filetypelist=fileTypeList, pluginsIcon=pluginsIcon) if pluginsIcon: self.sourceSelector.pluginsButton.clicked.connect(self._pluginsClicked) self.pluginsCallback = None self.selectorWidget = {} self.tabWidget = qt.QTabWidget(self) #for the time being just files for src_widget in QDataSource.source_widgets.keys(): self.selectorWidget[src_widget] = QDataSource.source_widgets[src_widget]() self.tabWidget.addTab(self.selectorWidget[src_widget], src_widget) self.selectorWidget[src_widget].sigAddSelection.connect( \ self._addSelectionSlot) self.selectorWidget[src_widget].sigRemoveSelection.connect( \ self._removeSelectionSlot) self.selectorWidget[src_widget].sigReplaceSelection.connect( \ self._replaceSelectionSlot) if src_widget not in ['EdfFile']: self.selectorWidget[src_widget].sigOtherSignals.connect( \ self._otherSignalsSlot) self.mainLayout.addWidget(self.sourceSelector) self.mainLayout.addWidget(self.tabWidget) self.sourceSelector.sigSourceSelectorSignal.connect( \ self._sourceSelectorSlot) self.tabWidget.currentChanged[int].connect(self._tabChanged) def _addSelectionSlot(self, sel_list, event=None): if DEBUG: print("QDispatcher._addSelectionSlot") print("sel_list = ",sel_list) if event is None: event = "addSelection" i = 0 indices = [] index = [] affectedSources = [] for sel in sel_list: sourceName = sel['SourceName'] if not len(affectedSources): index += [i] elif sourceName == affectedSources[-1]: index += [i] else: indices.append(index) affectedSources.append(sourceName) index = [i] i += 1 indices.append(index) affectedSources.append(sourceName) affectedSourceIndex = -1 for affectedSource in affectedSources: affectedSourceIndex += 1 selectionList = [] lastEvent = None for source in self.sourceList: if source.sourceName == affectedSource: for selIndex in indices[affectedSourceIndex]: sel = sel_list[selIndex] #The dispatcher should be a singleton to work properly #implement a patch to make sure it is the targeted widget targetwidgetid = sel.get('targetwidgetid', None) if targetwidgetid not in [None, id(self)]: continue ddict = {} ddict.update(sel) ddict["event"] = event if lastEvent is None: lastEvent = event #we have found the source #this recovers the data and the info if True: #this creates a data object that is passed to everybody so #there is only one read out. #I should create a weakref to it in order to be informed #about its deletion. if source.sourceType != "SPS": if DEBUG: dataObject = source.getDataObject(sel['Key'], selection=sel['selection']) else: try: dataObject = source.getDataObject(sel['Key'], selection=sel['selection']) except: error = sys.exc_info() text = "Failed to read data source.\n" text += "Source: %s\n" % source.sourceName text += "Key: %s\n" % sel['Key'] text += "Error: %s" % error[1] if QTVERSION < '4.0.0': qt.QMessageBox.critical(self, "%s" % error[0], text) else: msg = qt.QMessageBox(self) msg.setWindowTitle('Source Error') msg.setIcon(qt.QMessageBox.Critical) msg.setInformativeText(text) msg.setDetailedText(\ traceback.format_exc()) continue else: dataObject = source.getDataObject(sel['Key'], selection=sel['selection'], poll=False) if dataObject is not None: dataObject.info['legend'] = sel['legend'] dataObject.info['targetwidgetid'] = targetwidgetid source.addToPoller(dataObject) else: #this may happen on deletion?? return if sel['Key'] == "SCAN_D": # I have to inform the widget about any possible # change in the associated environment #print source.sourceType #print source.sourceName #print sel['Key'] #print self.selectorWidget[source.sourceType] pass ddict['dataobject'] = dataObject selectionList.append(ddict) else: #this creates a weak reference to the source object #the clients will be able to retrieve the data #the problem is that 10 clients will requiere #10 read outs ddict["sourcereference"] = weakref.ref(source) selectionList.append(ddict) if lastEvent != event: if event.lower() == "addselection": self.sigAddSelection.emit(selectionList) selectionList = [] elif event.lower() == "replaceselection": self.sigReplaceSelection.emit(selectionList) selectionList = [] elif event.lower() == "removeselection": self.sigRemoveSelection.emit(selectionList) selectionList = [] else: print("Unhandled dispatcher event = ", event) del selectionList[-1] if len(selectionList): if event.lower() == "addselection": self.sigAddSelection.emit(selectionList) elif event.lower() == "replaceselection": self.sigReplaceSelection.emit(selectionList) elif event.lower() == "removeselection": self.sigRemoveSelection.emit(selectionList) lastEvent = None def _removeSelectionSlot(self, sel_list): if DEBUG: print("_removeSelectionSlot") print("sel_list = ",sel_list) for sel in sel_list: ddict = {} ddict.update(sel) ddict["event"] = "removeSelection" self.sigRemoveSelection.emit(ddict) def _replaceSelectionSlot(self, sel_list): if DEBUG: print("_replaceSelectionSlot") print("sel_list = ",sel_list) if len(sel_list) == 1: self._addSelectionSlot([sel_list[0]], event = "replaceSelection") elif len(sel_list) > 1: self._addSelectionSlot([sel_list[0]], event = "replaceSelection") self._addSelectionSlot(sel_list[1:], event = "addSelection") def _otherSignalsSlot(self, ddict): self.sigOtherSignals.emit(ddict) def _sourceSelectorSlot(self, ddict): if DEBUG: print("_sourceSelectorSlot(self, ddict)") print("ddict = ",ddict) if ddict["event"] == "NewSourceSelected": source = QDataSource.QDataSource(ddict["sourcelist"]) self.sourceList.append(source) sourceType = source.sourceType self.selectorWidget[sourceType].setDataSource(source) self.tabWidget.setCurrentWidget(self.selectorWidget[sourceType]) if sourceType == "SPS": source.sigUpdated.connect(self._selectionUpdatedSlot) elif (ddict["event"] == "SourceSelected") or \ (ddict["event"] == "SourceReloaded"): found = 0 for source in self.sourceList: if source.sourceName == ddict["sourcelist"]: found = 1 break if not found: if DEBUG: print("WARNING: source not found") return sourceType = source.sourceType if ddict["event"] == "SourceReloaded": source.refresh() self.selectorWidget[sourceType].setDataSource(source) self.tabWidget.setCurrentWidget(self.selectorWidget[sourceType]) elif ddict["event"] == "SourceClosed": found = 0 for source in self.sourceList: if source.sourceName == ddict["sourcelist"]: found = 1 break if not found: if DEBUG: print("WARNING: source not found") return sourceType = source.sourceType del self.sourceList[self.sourceList.index(source)] for source in self.sourceList: if sourceType == source.sourceType: self.selectorWidget[sourceType].setDataSource(source) self.tabWidget.setCurrentWidget(self.selectorWidget[sourceType]) return #there is no other selection of that type if len(self.sourceList): source = self.sourceList[0] sourceType = source.sourceType self.selectorWidget[sourceType].setDataSource(source) else: self.selectorWidget[sourceType].setDataSource(None) self.tabWidget.setCurrentWidget(self.selectorWidget[sourceType]) elif ddict["event"] == "SourceClosed": if DEBUG: print("not implemented yet") def _selectionUpdatedSlot(self, ddict): if DEBUG: print("_selectionUpdatedSlot(self, dict)",ddict) if 'selectionlist' in ddict: sel_list = ddict['selectionlist'] else: sel_list = [] for objectReference in ddict["id"]: targetwidgetid = ddict.get('targetwidgetid', None) if targetwidgetid not in [None, id(self)]: continue sel = {} sel['SourceName'] = ddict['SourceName'] sel['SourceType'] = ddict['SourceType'] sel['Key'] = ddict['Key'] if 0: sel['selection'] = objectReference.info['selection'] sel['legend'] = objectReference.info['legend'] if 'scanselection' in objectReference.info.keys(): sel['scanselection'] = objectReference.info['scanselection'] else: sel['selection'] = ddict['selection'] sel['legend'] = ddict['legend'] sel['scanselection'] = ddict['scanselection'] sel['imageselection'] = ddict['imageselection'] sel_list.append(sel) self._addSelectionSlot(sel_list) def _tabChanged(self, value): if DEBUG: print("self._tabChanged(value), value = ",value) text = str(self.tabWidget.tabText(value)) ddict = {} ddict['SourceType'] = text if self.selectorWidget[text].data is not None: ddict['SourceType'] = self.selectorWidget[text].data.sourceType ddict['SourceName'] = self.selectorWidget[text].data.sourceName else: ddict['SourceName'] = None ddict['event'] = "SourceTypeChanged" self.sigOtherSignals.emit(ddict) def _pluginsClicked(self): ddict = {} value = self.tabWidget.currentIndex() text = str(self.tabWidget.tabText(value)) ddict['SourceType'] = text if self.selectorWidget[text].data is not None: ddict['SourceType'] = self.selectorWidget[text].data.sourceType ddict['SourceName'] = self.selectorWidget[text].data.sourceName else: ddict['SourceName'] = None print(ddict) print("===========================") for source in self.sourceList: print(source) print(source.sourceType) sourceType = source.sourceType print(self.selectorWidget[sourceType].currentSelectionList()) if self.pluginsCallback is not None: self.pluginsCallback(info) def test(): app = qt.QApplication([]) w = QDispatcher() w.show() app.lastWindowClosed.connect(app.quit) app.exec_() if __name__ == "__main__": test() PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/StackSelector.py0000644000276300001750000004722413137667364021761 0ustar solebliss00000000000000#!/usr/bin/env python #/*########################################################################## # Copyright (C) 2004-2017 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os import copy import traceback from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5 import PyMcaDirs from PyMca5 import DataObject from PyMca5.PyMcaGui import PyMcaFileDialogs from PyMca5.PyMcaIO import MRCMap from PyMca5.PyMcaIO import OmnicMap from PyMca5.PyMcaIO import OpusDPTMap from PyMca5.PyMcaIO import LuciaMap from PyMca5.PyMcaIO import SupaVisioMap from PyMca5.PyMcaIO import AifiraMap from PyMca5.PyMcaIO import TextImageStack from PyMca5.PyMcaIO import TiffStack from PyMca5.PyMcaIO import RTXMap from PyMca5.PyMcaIO import LispixMap from PyMca5.PyMcaIO import RenishawMap from PyMca5.PyMcaIO import OmdaqLmf from PyMca5.PyMcaIO import JcampOpusStack from .QStack import QStack, QSpecFileStack try: from PyMca5.PyMcaGui.pymca import QHDF5Stack1D import h5py HDF5 = True except ImportError: HDF5 = False pass QTVERSION = qt.qVersion() DEBUG = 0 class StackSelector(object): def __init__(self, parent=None): self.parent = parent def getStack(self, filelist=None, imagestack=None): if filelist in [None, []]: filelist, filefilter = self._getStackOfFiles(getfilter=True) else: filefilter = "" if not len(filelist): return None if filefilter in ["", "All Files (*)"]: if HDF5: if h5py.is_hdf5(filelist[0]): filefilter = "HDF5" fileindex = 0 begin = None end = None aifirafile = False if len(filelist): PyMcaDirs.inputDir = os.path.dirname(filelist[0]) #if we are dealing with HDF5, no more tests needed if not filefilter.upper().startswith('HDF5'): f = open(filelist[0], 'rb') #read 10 characters if sys.version < '3.0': line = f.read(10) else: try: line = str(f.read(10).decode()) except UnicodeDecodeError: #give a dummy value line = " " f.close() omnicfile = False if filefilter.upper().startswith('HDF5'): stack = QHDF5Stack1D.QHDF5Stack1D(filelist) omnicfile = True elif filefilter.upper().startswith('OPUS-DPT'): stack = OpusDPTMap.OpusDPTMap(filelist[0]) omnicfile = True elif filefilter.upper().startswith("AIFIRA"): stack = AifiraMap.AifiraMap(filelist[0]) omnicfile = True aifirafile = True elif filefilter.upper().startswith("SUPAVISIO"): stack = SupaVisioMap.SupaVisioMap(filelist[0]) omnicfile = True elif filefilter.upper().startswith("TEXTIMAGE"): imagestack = True fileindex = 0 stack = TextImageStack.TextImageStack(imagestack=True) elif filefilter.upper().startswith("IMAGE") and\ (filelist[0].upper().endswith("TIF") or\ filelist[0].upper().endswith("TIFF")): stack = TiffStack.TiffStack(imagestack=True) elif filefilter.upper().startswith("RENISHAW"): stack = RenishawMap.RenishawMap(filelist[0]) omnicfile = True elif filefilter == "" and\ (filelist[0].upper().endswith("TIF") or\ filelist[0].upper().endswith("TIFF")): stack = TiffStack.TiffStack(imagestack=True) elif filefilter.upper().startswith("IMAGE"): if imagestack is None: imagestack = True fileindex = 0 stack = QStack(imagestack=imagestack) elif line[0] == "{": if filelist[0].upper().endswith("RAW"): if imagestack is None: imagestack=True stack = QStack(imagestack=imagestack) elif line[0:2] in ["II", "MM"]: if imagestack is None: imagestack = True stack = QStack(imagestack=imagestack) elif line.startswith('Spectral'): stack = OmnicMap.OmnicMap(filelist[0]) omnicfile = True elif line.startswith('#\tDate'): stack = LuciaMap.LuciaMap(filelist[0]) omnicfile = True elif filelist[0].upper().endswith("RAW.GZ")or\ filelist[0].upper().endswith("EDF.GZ")or\ filelist[0].upper().endswith("CCD.GZ")or\ filelist[0].upper().endswith("RAW.BZ2")or\ filelist[0].upper().endswith("EDF.BZ2")or\ filelist[0].upper().endswith("CCD.BZ2")or\ filelist[0].upper().endswith(".CBF"): if imagestack is None: imagestack = True stack = QStack(imagestack=imagestack) elif filelist[0].upper().endswith(".RTX"): stack = RTXMap.RTXMap(filelist[0]) omnicfile = True elif filelist[0][-4:].upper() in ["PIGE", "PIGE"]: stack = SupaVisioMap.SupaVisioMap(filelist[0]) omnicfile = True elif filelist[0][-3:].upper() in ["RBS"]: stack = SupaVisioMap.SupaVisioMap(filelist[0]) omnicfile = True elif filelist[0][-3:].upper() in ["SPE"] and\ (line[0] not in ['$', '#']): #Roper Scientific format #handle it as MarCCD stack stack = QStack(imagestack=True) elif MRCMap.isMRCFile(filelist[0]): stack = MRCMap.MRCMap(filelist[0]) omnicfile = True imagestack = True elif LispixMap.isLispixMapFile(filelist[0]): stack = LispixMap.LispixMap(filelist[0]) omnicfile = True elif RenishawMap.isRenishawMapFile(filelist[0]): # This is dangerous. Any .txt file with four # columns would be accepted as a Renishaw Map # by other hand, I do not know how to handle # that case as a stack. stack = RenishawMap.RenishawMap(filelist[0]) omnicfile = True elif OmdaqLmf.isOmdaqLmf(filelist[0]): stack = OmdaqLmf.OmdaqLmf(filelist[0]) omnicfile = True elif JcampOpusStack.isJcampOpusStackFile(filelist[0]): stack = JcampOpusStack.JcampOpusStack(filelist[0]) omnicfile = True else: stack = QSpecFileStack() if len(filelist) == 1: if not omnicfile: try: stack.loadIndexedStack(filelist[0], begin, end, fileindex=fileindex) except: msg = qt.QMessageBox() msg.setIcon(qt.QMessageBox.Critical) msg.setInformativeText("%s" % sys.exc_info()[1]) msg.setDetailedText(traceback.format_exc()) msg.exec_() if DEBUG: raise elif len(filelist): if not omnicfile: try: stack.loadFileList(filelist, fileindex=fileindex) except: msg = qt.QMessageBox() msg.setIcon(qt.QMessageBox.Critical) msg.setText("%s" % sys.exc_info()[1]) if QTVERSION < '4.0.0': msg.exec_loop() else: msg.exec_() if DEBUG: raise if aifirafile: masterStack = DataObject.DataObject() masterStack.info = copy.deepcopy(stack.info) masterStack.data = stack.data[:, :, 0:1024] masterStack.info['Dim_2'] = int(masterStack.info['Dim_2'] / 2) slaveStack = DataObject.DataObject() slaveStack.info = copy.deepcopy(stack.info) slaveStack.data = stack.data[:, :, 1024:] slaveStack.info['Dim_2'] = int(slaveStack.info['Dim_2'] / 2) return [masterStack, slaveStack] else: return stack def getStackFromPattern(self, filepattern, begin, end, increment=None, imagestack=None, fileindex=0): #get the first filename filename = filepattern % tuple(begin) if not os.path.exists(filename): raise IOError("Filename %s does not exist." % filename) #get the file list args = self.getFileListFromPattern(filepattern, begin, end, increment=increment) #get the file type f = open(args[0], 'rb') #read 10 characters line = f.read(10) f.close() specfile = False marCCD = False if line.startswith("II") or line.startswith("MM"): marCCD = True if line[0] == "\n": line = line[1:] if (line[0] == "{") or marCCD: if imagestack is None: if marCCD: imagestack = True if imagestack: #prevent any modification fileindex = 0 if filepattern is not None: #this dows not seem to put any trouble #(because of no redimensioning attempt) if False and (len(begin) != 1): raise IOError("EDF stack redimensioning not supported yet") stack = QStack(imagestack=imagestack) elif line.startswith('Spectral'): stack = OmnicMap.OmnicMap(args[0]) elif line.startswith('#\tDate:'): stack = LuciaMap.LuciaMap(args[0]) elif args[0][-4:].upper() in ["PIGE", "PIXE"]: stack = SupaVisioMap.SupaVisioMap(args[0]) elif args[0][-3:].upper() in ["RBS"]: stack = SupaVisioMap.SupaVisioMap(args[0]) elif args[0][-3:].lower() in [".h5", "nxs", "hdf"]: if not HDF5: raise IOError(\ "No HDF5 support while trying to read an HDF5 file") stack = QHDF5Stack1D.QHDF5Stack1D(args) elif args[0].upper().endswith("RAW.GZ")or\ args[0].upper().endswith("EDF.GZ")or\ args[0].upper().endswith("CCD.GZ")or\ args[0].upper().endswith("RAW.BZ2")or\ args[0].upper().endswith("EDF.BZ2")or\ args[0].upper().endswith("CCD.BZ2"): if imagestack is None: imagestack = True stack = QStack(imagestack=imagestack) else: if HDF5: if h5py.is_hdf5(args[0]): stack = QHDF5Stack1D.QHDF5Stack1D(args) else: stack = QSpecFileStack() specfile = True else: stack = QSpecFileStack() specfile = True if specfile and (len(begin) == 2): if increment is None: increment = [1] * len(begin) shape = (len(range(begin[0], end[0] + 1, increment[0])), len(range(begin[1], end[1] + 1, increment[1]))) stack.loadFileList(args, fileindex=fileindex, shape=shape) else: stack.loadFileList(args, fileindex=fileindex) return stack def _getFileList(self, fileTypeList, message=None, getfilter=None): if message is None: message = "Please select a file" if getfilter is None: getfilter = False wdir = PyMcaDirs.inputDir filterused = None if getfilter: filelist, filterused = PyMcaFileDialogs.getFileList(self.parent, filetypelist=fileTypeList, mode="OPEN", message=message, currentdir=wdir, getfilter=True, single=False, native=True) else: filelist = PyMcaFileDialogs.getFileList(self.parent, filetypelist=fileTypeList, mode="OPEN", message=message, currentdir=wdir, getfilter=False, single=False, native=True) if not(len(filelist)): return [] PyMcaDirs.inputDir = os.path.dirname(filelist[0]) if PyMcaDirs.outputDir is None: PyMcaDirs.outputDir = os.path.dirname(filelist[0]) if getfilter: return filelist, filterused else: return filelist def _getStackOfFiles(self, getfilter=None): if getfilter is None: getfilter = False fileTypeList = ["EDF Files (*edf)", "Image Files (*edf *ccd *raw *edf.gz *ccd.gz *raw.gz *cbf)", "Image Files (*tif *tiff *TIF *TIFF)", "TextImage Files (*txt)", "HDF5 Files (*.nxs *.hdf *.h5)", "EDF Files (*ccd)", "Specfile Files (*mca)", "Specfile Files (*dat)", "OMNIC Files (*map)", "OPUS-DPT Files (*.DPT *.dpt)", "JCAMP-DX Files (*.JDX *.jdx *.DX *.dx)", "RTX Files (*.rtx *.RTX)", "Lispix-RPL Files (*.rpl)", "Renishaw-ASCII Files (*.txt *.TXT)", "AIFIRA Files (*DAT)", "SupaVisio Files (*pige *pixe *rbs)", "MRC files (*.mrc *.st)", "All Files (*)"] if not HDF5: idx = fileTypeList.index("HDF5 Files (*.nxs *.hdf *.h5)") del fileTypeList[idx] message = "Open ONE indexed stack or SEVERAL files" return self._getFileList(fileTypeList, message=message, getfilter=getfilter) def getFileListFromPattern(self, pattern, begin, end, increment=None): if type(begin) == type(1): begin = [begin] if type(end) == type(1): end = [end] if len(begin) != len(end): raise ValueError(\ "Begin list and end list do not have same length") if increment is None: increment = [1] * len(begin) elif type(increment) == type(1): increment = [increment] if len(increment) != len(begin): raise ValueError(\ "Increment list and begin list do not have same length") fileList = [] if len(begin) == 1: for j in range(begin[0], end[0] + increment[0], increment[0]): fileList.append(pattern % (j)) elif len(begin) == 2: for j in range(begin[0], end[0] + increment[0], increment[0]): for k in range(begin[1], end[1] + increment[1], increment[1]): fileList.append(pattern % (j, k)) elif len(begin) == 3: raise ValueError("Cannot handle three indices yet.") for j in range(begin[0], end[0] + increment[0], increment[0]): for k in range(begin[1], end[1] + increment[1], increment[1]): for l in range(begin[2], end[2] + increment[2], increment[2]): fileList.append(pattern % (j, k, l)) else: raise ValueError("Cannot handle more than three indices.") return fileList if __name__ == "__main__": from PyMca5 import QStackWidget import getopt options = '' longoptions = ["fileindex=", "filepattern=", "begin=", "end=", "increment=", "nativefiledialogs=", "imagestack="] try: opts, args = getopt.getopt( sys.argv[1:], options, longoptions) except: print(sys.exc_info()[1]) sys.exit(1) fileindex = 0 filepattern = None begin = None end = None imagestack = False increment = None for opt, arg in opts: if opt in '--begin': if "," in arg: begin = [int(x) for x in arg.split(",")] else: begin = [int(arg)] elif opt in '--end': if "," in arg: end = [int(x) for x in arg.split(",")] else: end = int(arg) elif opt in '--increment': if "," in arg: increment = [int(x) for x in arg.split(",")] else: increment = int(arg) elif opt in '--filepattern': filepattern = arg.replace('"', '') filepattern = filepattern.replace("'", "") elif opt in '--fileindex': fileindex = int(arg) elif opt in '--imagestack': imagestack = int(arg) elif opt in '--nativefiledialogs': if int(arg): PyMcaDirs.nativeFileDialogs = True else: PyMcaDirs.nativeFileDialogs = False if filepattern is not None: if (begin is None) or (end is None): raise ValueError(\ "A file pattern needs at least a set of begin and end indices") app = qt.QApplication([]) widget = QStackWidget.QStackWidget() w = StackSelector(widget) if filepattern is not None: #ignore the args even if present stack = w.getStackFromPattern(filepattern, begin, end, increment=increment, imagestack=imagestack) else: stack = w.getStack(args, imagestack=imagestack) if type(stack) == type([]): #aifira like, two stacks widget.setStack(stack[0]) slave = QStackWidget.QStackWidget(master=False, rgbwidget=widget.rgbWidget) slave.setStack(stack[1]) widget.setSlave(slave) stack = None else: widget.setStack(stack) widget.show() app.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/Fit2Spec.py0000644000276300001750000004040113136054446020606 0ustar solebliss00000000000000#!/usr/bin/env python #/*########################################################################## # Copyright (C) 2004-2016 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import os import sys import time from . import McaCustomEvent from PyMca5.PyMcaIO import ConfigDict ROIWIDTH = 250. from PyMca5.PyMcaGui import PyMcaQt as qt class Fit2SpecGUI(qt.QWidget): def __init__(self,parent=None,name="Fit to Spec Conversion", filelist=None,outputdir=None, actions=0): qt.QWidget.__init__(self,parent,name) layout = qt.QVBoxLayout(self) layout.setAutoAdd(1) self.setCaption(name) self.__build(actions) if filelist is None: filelist = [] self.outputDir = None self.setFileList(filelist) self.setOutputDir(outputdir) def __build(self,actions): self.__grid= qt.QWidget(self) #self.__grid.setGeometry(qt.QRect(30,30,288,156)) grid = qt.QGridLayout(self.__grid,2,3,11,6) grid.setColStretch(0,0) grid.setColStretch(1,1) grid.setColStretch(2,0) #input list listrow = 0 listlabel = qt.QLabel(self.__grid) listlabel.setText("Input File list:") listlabel.setAlignment(qt.QLabel.WordBreak | qt.QLabel.AlignVCenter) self.__listView = qt.QTextView(self.__grid) self.__listView.setMaximumHeight(30*listlabel.sizeHint().height()) self.__listButton = qt.QPushButton(self.__grid) self.__listButton.setText('Browse') self.__listButton.clicked.connect(self.browseList) grid.addWidget(listlabel, listrow, 0, qt.Qt.AlignTop|qt.Qt.AlignLeft) grid.addWidget(self.__listView, listrow, 1) grid.addWidget(self.__listButton,listrow, 2, qt.Qt.AlignTop|qt.Qt.AlignRight) #output dir outrow = 1 outlabel = qt.QLabel(self.__grid) outlabel.setText("Output dir:") outlabel.setAlignment(qt.QLabel.WordBreak | qt.QLabel.AlignVCenter) self.__outLine = qt.QLineEdit(self.__grid) self.__outLine.setReadOnly(True) #self.__outLine.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Maximum, qt.QSizePolicy.Fixed)) self.__outButton = qt.QPushButton(self.__grid) self.__outButton.setText('Browse') self.__outButton.clicked.connect(self.browseOutputDir) grid.addWidget(outlabel, outrow, 0, qt.Qt.AlignLeft) grid.addWidget(self.__outLine, outrow, 1) grid.addWidget(self.__outButton, outrow, 2, qt.Qt.AlignLeft) if actions: self.__buildActions() def __buildActions(self): box = qt.QHBox(self) qt.HorizontalSpacer(box) self.__dismissButton = qt.QPushButton(box) qt.HorizontalSpacer(box) self.__dismissButton.setText("Close") self.__startButton = qt.QPushButton(box) qt.HorizontalSpacer(box) self.__startButton.setText("Start") self.__dismissButton.clicked.connect(self.close) self.__startButton.clicked.connect(self.start) def setFileList(self,filelist=None): if filelist is None: filelist = [] if True or self.__goodFileList(filelist): text = "" filelist.sort() for ffile in filelist: text += "%s\n" % ffile self.fileList = filelist self.__listView.setText(text) def setOutputDir(self,outputdir=None): if outputdir is None:return if self.__goodOutputDir(outputdir): self.outputDir = outputdir self.__outLine.setText(outputdir) else: qt.QMessageBox.critical(self, "ERROR", "Cannot use output directory:\n%s"% (outputdir)) def __goodFileList(self,filelist): if not len(filelist):return True for file in filelist: if not os.path.exists(file): qt.QMessageBox.critical(self, "ERROR",'File %s\ndoes not exists' % file) self.raiseW() return False return True def __goodOutputDir(self,outputdir): if os.path.isdir(outputdir):return True else:return False def browseList(self): filedialog = qt.QFileDialog(self,"Open a set of files",1) filedialog.setMode(filedialog.ExistingFiles) if hasattr(filedialog, "setFilters"): filedialog.setFilters("Fit Files (*.fit)\n") else: filedialog.setNameFilters("Fit Files (*.fit)\n") if filedialog.exec_loop() == qt.QDialog.Accepted: filelist0= filedialog.selectedFiles() else: self.raiseW() return filelist = [] for f in filelist0: filelist.append(qt.safe_str(f)) if len(filelist):self.setFileList(filelist) self.raiseW() def browseConfig(self): filename= qt.QFileDialog(self,"Open a new fit config file",1) filename.setMode(filename.ExistingFiles) filename.setFilters("Config Files (*.cfg)\nAll files (*)") if filename.exec_loop() == qt.QDialog.Accepted: filename = filename.selectedFile() else: self.raiseW() return filename = qt.safe_str(filename) if len(filename): self.setConfigFile(filename) self.raiseW() def browseOutputDir(self): outfile = qt.QFileDialog(self,"Output Directory Selection",1) outfile.setMode(outfile.DirectoryOnly) ret = outfile.exec_loop() if ret: outdir = qt.safe_str(outfile.selectedFile()) outfile.close() del outfile self.setOutputDir(outdir) else: outfile.close() del outfile self.raiseW() def start(self): if not len(self.fileList): qt.QMessageBox.critical(self, "ERROR",'Empty file list') self.raiseW() return if (self.outputDir is None) or (not self.__goodOutputDir(self.outputDir)): qt.QMessageBox.critical(self, "ERROR",'Invalid output directory') self.raiseW() return name = "Batch from %s to %s " % (os.path.basename(self.fileList[ 0]), os.path.basename(self.fileList[-1])) window = Fit2SpecWindow(name="Fit 2 Spec "+name,actions=1) b = Fit2SpecBatch(window,self.fileList,self.outputDir) def cleanup(): b.pleasePause = 0 b.pleaseBreak = 1 b.wait() qApp = qt.QApplication.instance() qApp.processEvents() def pause(): if b.pleasePause: b.pleasePause=0 window.pauseButton.setText("Pause") else: b.pleasePause=1 window.pauseButton.setText("Continue") window.pauseButton.clicked.connect(pause) window.abortButton.clicked.connect(window.close) qApp = qt.QApplication.instance() qApp.aboutToQuit.connect(cleanup) self.__window = window self.__b = b window.show() b.start() class Fit2SpecBatch(qt.QThread): def __init__(self, parent, filelist=None, outputdir = None): self._filelist = filelist self.outputdir = outputdir qt.QThread.__init__(self) self.parent = parent self.pleasePause = 0 def processList(self): for fitfile in self._filelist: self.onNewFile(fitfile, self._filelist) d = ConfigDict.ConfigDict() d.read(fitfile) f = open(os.path.join(self.outputdir,os.path.basename(fitfile)+".dat"),'w+') npoints = len(d['result']['xdata']) f.write("\n") f.write("#S 1 %s\n" % fitfile) i=0 for parameter in d['result']['parameters']: f.write("#U%d %s %.6g +/- %.3g\n" % (i, parameter, d['result']['fittedpar'][i], d['result']['sigmapar'][i])) i+=1 f.write("#N 6\n") f.write("#L Energy channel counts fit continuum pileup\n") for i in range(npoints): f.write("%.6g %.6g %.6g %.6g %.6g %.6g\n" % (d['result']['energy'][i], d['result']['xdata'][i], d['result']['ydata'][i], d['result']['yfit'][i], d['result']['continuum'][i], d['result']['pileup'][i])) f.close() self.onEnd() def run(self): self.processList() def onNewFile(self, file, filelist): self.postEvent(self.parent, McaCustomEvent.McaCustomEvent({'file':file, 'filelist':filelist, 'event':'onNewFile'})) if self.pleasePause:self.__pauseMethod() def onEnd(self): self.postEvent(self.parent, McaCustomEvent.McaCustomEvent({'event':'onEnd'})) if self.pleasePause:self.__pauseMethod() def __pauseMethod(self): self.postEvent(self.parent, McaCustomEvent.McaCustomEvent({'event':'batchPaused'})) while(self.pleasePause): time.sleep(1) self.postEvent(self.parent, McaCustomEvent.McaCustomEvent({'event':'batchResumed'})) class Fit2SpecWindow(qt.QWidget): def __init__(self,parent=None, name="BatchWindow", fl=0, actions = 0): qt.QWidget.__init__(self, parent, name, fl) self.setCaption(name) self.l = qt.QVBoxLayout(self) self.l.setAutoAdd(1) self.bars =qt.QWidget(self) self.barsLayout = qt.QGridLayout(self.bars,2,3) self.progressBar = qt.QProgressBar(self.bars) self.progressLabel = qt.QLabel(self.bars) self.progressLabel.setText('File Progress:') self.barsLayout.addWidget(self.progressLabel,0,0) self.barsLayout.addWidget(self.progressBar,0,1) self.status = qt.QLabel(self) self.status.setText(" ") self.timeLeft = qt.QLabel(self) self.timeLeft.setText("Estimated time left = ???? min") self.time0 = None if actions: self.addButtons() self.show() self.raiseW() def addButtons(self): self.actions = 1 self.buttonsBox = qt.QWidget(self) l = qt.QHBoxLayout(self.buttonsBox) l.setAutoAdd(1) qt.HorizontalSpacer(self.buttonsBox) self.pauseButton = qt.QPushButton(self.buttonsBox) qt.HorizontalSpacer(self.buttonsBox) self.pauseButton.setText("Pause") self.abortButton = qt.QPushButton(self.buttonsBox) qt.HorizontalSpacer(self.buttonsBox) self.abortButton.setText("Abort") self.update() def customEvent(self,event): if event.dict['event'] == 'onNewFile':self.onNewFile(event.dict['file'], event.dict['filelist']) elif event.dict['event'] == 'onEnd': self.onEnd(event.dict) elif event.dict['event'] == 'batchPaused': self.onPause() elif event.dict['event'] == 'batchResumed':self.onResume() else: print("Unhandled event",event) def onNewFile(self, file, filelist): indexlist = range(0,len(filelist)) index = indexlist.index(filelist.index(file)) nfiles = len(indexlist) self.status.setText("Processing file %s" % file) e = time.time() self.progressBar.setTotalSteps(nfiles) self.progressBar.setProgress(index) if self.time0 is not None: t = (e - self.time0) * (nfiles - index) self.time0 =e if t < 120: self.timeLeft.setText("Estimated time left = %d sec" % (t)) else: self.timeLeft.setText("Estimated time left = %d min" % (int(t / 60.))) else: self.time0 = e def onEnd(self,dict): n = self.progressBar.progress() self.progressBar.setProgress(n+1) self.status.setText ("Batch Finished") self.timeLeft.setText("Estimated time left = 0 sec") if self.actions: self.pauseButton.hide() self.abortButton.setText("OK") def onPause(self): pass def onResume(self): pass if __name__ == "__main__": import getopt options = 'f' longoptions = ['outdir=', 'listfile='] filelist = None outdir = None listfile = None opts, args = getopt.getopt( sys.argv[1:], options, longoptions) for opt,arg in opts: if opt in ('--outdir'): outdir = arg elif opt in ('--listfile'): listfile = arg if listfile is None: filelist=[] for item in args: filelist.append(item) else: fd = open(listfile) filelist = fd.readlines() fd.close() for i in range(len(filelist)): filelist[i]=filelist[i].replace('\n','') app=qt.QApplication(sys.argv) winpalette = qt.QPalette(qt.QColor(230,240,249),qt.QColor(238,234,238)) app.setPalette(winpalette) app.lastWindowClosed.conenct(app.quit) if len(filelist) == 0: w = Fit2SpecGUI(actions=1) app.setMainWidget(w) w.show() app.exec_() else: text = "Batch from %s to %s" % (os.path.basename(filelist[0]), os.path.basename(filelist[-1])) window = Fit2SpecWindow(name=text,actions=1) b = Fit2SpecBatch(window,filelist,outdir) def cleanup(): b.pleasePause = 0 b.pleaseBreak = 1 b.wait() qApp = qt.QApplication.instance() qApp.processEvents() def pause(): if b.pleasePause: b.pleasePause=0 window.pauseButton.setText("Pause") else: b.pleasePause=1 window.pauseButton.setText("Continue") window.pauseButton.clicked.connect(pause) window.abortButton.clicked.connect(window.close) app.aboutToQuit.connect(cleanup) window.show() b.start() app.setMainWidget(window) app.exec_() # PyMcaBatch.py --cfg=/mntdirect/_bliss/users/sole/COTTE/WithLead.cfg --outdir=/tmp/ /mntdirect/_bliss/users/sole/COTTE/ch09/ch09__mca_0003_0000_0007.edf /mntdirect/_bliss/users/sole/COTTE/ch09/ch09__mca_0003_0000_0008.edf /mntdirect/_bliss/users/sole/COTTE/ch09/ch09__mca_0003_0000_0009.edf /mntdirect/_bliss/users/sole/COTTE/ch09/ch09__mca_0003_0000_0010.edf /mntdirect/_bliss/users/sole/COTTE/ch09/ch09__mca_0003_0000_0011.edf /mntdirect/_bliss/users/sole/COTTE/ch09/ch09__mca_0003_0000_0012.edf /mntdirect/_bliss/users/sole/COTTE/ch09/ch09__mca_0003_0000_0013.edf & # PyMcaBatch.exe --cfg=E:/COTTE/WithLead.cfg --outdir=C:/tmp/ E:/COTTE/ch09/ch09__mca_0003_0000_0007.edf E:/COTTE/ch09/ch09__mca_0003_0000_0008.edf PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/RGBImageCalculator.py0000644000276300001750000003045713136054446022570 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2016 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import numpy from PyMca5.PyMcaGui import MaskImageWidget from PyMca5.PyMcaGui import ColormapDialog from PyMca5 import spslut from PyMca5.PyMcaGui import QPyMcaMatplotlibSave MATPLOTLIB = True convertToRowAndColumn = MaskImageWidget.convertToRowAndColumn qt = MaskImageWidget.qt IconDict = MaskImageWidget.IconDict QTVERSION = qt.qVersion() COLORMAPLIST = [spslut.GREYSCALE, spslut.REVERSEGREY, spslut.TEMP, spslut.RED, spslut.GREEN, spslut.BLUE, spslut.MANY] DEBUG = 0 class RGBImageCalculator(qt.QWidget): sigAddImageClicked = qt.pyqtSignal(object) sigRemoveImageClicked = qt.pyqtSignal(object) sigReplaceImageClicked = qt.pyqtSignal(object) def __init__(self, parent = None, math = True, replace = False, scanwindow=None): qt.QWidget.__init__(self, parent) self.setWindowIcon(qt.QIcon(qt.QPixmap(IconDict['gioconda16']))) self.setWindowTitle("PyMCA - RGB Image Calculator") self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(0) self.imageList = None self.imageDict = None self._imageData = None self._xScale = None self._yScale = None self.__imagePixmap = None self.__imageColormap = None self.__imageColormapDialog = None self.setDefaultColormap(2, logflag=False) self._y1AxisInverted = False self._matplotlibSaveImage = None self._build(math = math, replace = replace, scanwindow=scanwindow) def _buildMath(self): self.mathBox = qt.QWidget(self) self.mathBox.mainLayout = qt.QHBoxLayout(self.mathBox) self.mathLabel = qt.QLabel(self.mathBox) self.mathLabel.setText("New image = ") self.mathExpression = qt.QLineEdit(self.mathBox) text = "" text += "Enter a mathematical expression in which your images\n" text += "have to be identified by a number between curly brackets.\n" text += "In order to normalize image 1 by image 2: {1}/{2}\n" text += "The numbers go from 1 to the number of rows in the table.\n" text += "If you can suggest useful correlation functions please,\n" text += "do not hesitate to contact us in order to implement them." self.mathExpression.setToolTip(text) self.mathAction = qt.QToolButton(self.mathBox) self.mathAction.setText("CALCULATE") self.mathBox.mainLayout.addWidget(self.mathLabel) self.mathBox.mainLayout.addWidget(self.mathExpression) self.mathBox.mainLayout.addWidget(self.mathAction) self.mainLayout.addWidget(self.mathBox) self.mathAction.clicked.connect(self._calculateClicked) def _build(self, math = True, replace = False, scanwindow=False): if math: self._buildMath() self.graphWidget = MaskImageWidget.MaskImageWidget(self, colormap=True, standalonesave=True, imageicons=False, profileselection=True, selection=False, scanwindow=scanwindow, aspect=True) self.nameBox = qt.QWidget(self) self.nameBox.mainLayout = qt.QHBoxLayout(self.nameBox) self.nameLabel = qt.QLabel(self.nameBox) self.nameLabel.setText("Image Name = ") #self.nameLabel.setText(qt.QString(qt.QChar(0x3A3))) self.name = qt.QLineEdit(self.nameBox) self.nameBox.mainLayout.addWidget(self.nameLabel) self.nameBox.mainLayout.addWidget(self.name) # The IMAGE selection #self.imageButtonBox = qt.QWidget(self) self.imageButtonBox = self.nameBox buttonBox = self.imageButtonBox #self.imageButtonBoxLayout = qt.QHBoxLayout(buttonBox) self.imageButtonBoxLayout = self.nameBox.mainLayout self.imageButtonBoxLayout.setContentsMargins(0, 0, 0, 0) self.imageButtonBoxLayout.setSpacing(0) self.addImageButton = qt.QPushButton(buttonBox) icon = qt.QIcon(qt.QPixmap(IconDict["rgb16"])) self.addImageButton.setIcon(icon) self.addImageButton.setText("ADD IMAGE") self.removeImageButton = qt.QPushButton(buttonBox) self.removeImageButton.setIcon(icon) self.removeImageButton.setText("REMOVE IMAGE") self.imageButtonBoxLayout.addWidget(self.addImageButton) self.imageButtonBoxLayout.addWidget(self.removeImageButton) if replace: self.replaceImageButton = qt.QPushButton(buttonBox) self.replaceImageButton.setIcon(icon) self.replaceImageButton.setText("REPLACE IMAGE") self.imageButtonBoxLayout.addWidget(self.replaceImageButton) #self.mainLayout.addWidget(self.nameBox) self.mainLayout.addWidget(self.graphWidget) self.mainLayout.addWidget(buttonBox) self.addImageButton.clicked.connect(self._addImageClicked) self.removeImageButton.clicked.connect(self._removeImageClicked) if replace: self.replaceImageButton.clicked.connect( \ self._replaceImageClicked) #it consumes too much CPU, therefore only on click #self.graphWidget.graph.canvas().setMouseTracking(1) self.graphWidget.graphWidget.showInfo() self.graphWidget.graphWidget.graph.sigPlotSignal.connect(\ self._graphSignal) def plotImage(self, update=True): self.graphWidget.setImageData(self._imageData, xScale=self._xScale, yScale=self._yScale) return self.graphWidget.plotImage(update=update) def _calculateClicked(self): if DEBUG: print("Calculate clicked") text = "%s" % self.mathExpression.text() if not len(text): qt.QMessageBox.critical(self, "Calculation Error", "Empty expression") return 1 expression = text * 1 name = text * 1 i = 1 for label in self.imageList: item = "{%d}" % i replacingChain ="self.imageDict[self.imageList[%d]]['image']" % (i-1) expression = expression.replace(item, replacingChain) if sys.version < '3.0': try: tmpLabel = label.decode() except UnicodeDecodeError: try: tmpLabel = label.decode('utf-8') except UnicodeDecodeError: try: tmpLabel = label.decode('latin-1') except UnicodeDecodeError: tmpLabel = "image_%0d" % i else: tmpLabel = label name = name.replace(item, tmpLabel) i = i + 1 try: self._imageData = 1 * eval(expression) except: error = sys.exc_info() text = "Failed to evaluate expression:\n" text += "%s\n" % expression text += "%s" % error[1] qt.QMessageBox.critical(self,"%s" % error[0], text) return 1 self.plotImage() self.setName("(%s)" % name) def setName(self, name): self.name.setText(name) self.graphWidget.graph.setGraphTitle("%s" % name) def _addImageClicked(self): if DEBUG: print("Add image clicked") if self._imageData is None: return if self._imageData == []: return text = "%s" % self.name.text() if not len(text): qt.QMessageBox.critical(self, "Name Error", "Please give a name to the image") return 1 ddict = {} ddict['label'] = text ddict['image'] = self._imageData self.sigAddImageClicked.emit(ddict) def _removeImageClicked(self): if DEBUG: print("remove image clicked") text = "%s" % self.name.text() if not len(text): qt.QMessageBox.critical(self, "Name Error", "Please enter the image name") return 1 self.sigRemoveImageClicked.emit(text) def _replaceImageClicked(self): if DEBUG: print("replace image clicked") text = "%s" % self.name.text() if not len(text): qt.QMessageBox.critical(self, "Name Error", "Please enter the image name") return 1 ddict = {} ddict['label'] = text ddict['image'] = self._imageData self.sigReplaceImageClicked.emit(ddict) def setDefaultColormap(self, colormapindex, logflag=False): self.__defaultColormap = COLORMAPLIST[min(colormapindex, len(COLORMAPLIST)-1)] if logflag: self.__defaultColormapType = spslut.LOG else: self.__defaultColormapType = spslut.LINEAR def _graphSignal(self, ddict): if ddict['event'] in ["mouseMoved", "MouseAt"]: if self._imageData is None: self.graphWidget.setInfoText(" X = ???? Y = ???? Z =????") return r, c = convertToRowAndColumn(ddict['x'], ddict['y'], self._imageData.shape, xScale=self._xScale, yScale=self._yScale, safe=True) z = self._imageData[r, c] self.graphWidget.graphWidget.setInfoText(" X = %.2f Y = %.2f Z = %.7g" %\ (ddict['x'], ddict['y'], z)) def closeEvent(self, event): if self.__imageColormapDialog is not None: self.__imageColormapDialog.close() if self._matplotlibSaveImage is not None: self._matplotlibSaveImage.close() qt.QWidget.closeEvent(self, event) def test(): app = qt.QApplication(sys.argv) w = RGBImageCalculator() array1 = numpy.arange(10000) array2 = numpy.transpose(array1) array3 = array1 * 1 array1.shape = [100,100] array2.shape = [100,100] array3.shape = [100,100] imageList = ["array1", "array2","array3"] imageDict = {"array1":{'image':array1}, "array2":{'image':array2}, "array3":{'image':array3}} w.imageList = imageList w.imageDict = imageDict w.show() app.exec_() if __name__ == "__main__": test() PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/PyMcaMdi.py0000644000276300001750000003752313136054446020645 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2017 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys, getopt, string from PyMca5.PyMcaGui import PyMcaQt as qt if hasattr(qt, "QString"): QString = qt.QString else: QString = str QTVERSION = qt.qVersion() from PyMca5.PyMcaGui import PyMca_Icons IconDict = PyMca_Icons.IconDict from .PyMca_help import HelpDict DEBUG = 0 __version__ = "1.5" class PyMcaMdi(qt.QMainWindow): def __init__(self, parent=None, name="PyMca Mdi", fl=None, options={}): qt.QMainWindow.__init__(self, parent) self.setWindowTitle(name) if fl is None: fl = qt.Qt.WA_DeleteOnClose if QTVERSION > '5.0.0': if sys.platform.startswith("darwin"): self.menuBar().setNativeMenuBar(False) self.options= {} self.options["FileToolBar"]= options.get("FileToolBar", 1) self.options["WinToolBar"] = options.get("WinToolBar", 1) self.options["MenuFile"] = options.get("MenuFile", 1) self.options["MenuTools"] = options.get("MenuTools", 1) self.options["MenuWindow"] = options.get("MenuWindow", 1) self.options["MenuHelp"] = options.get("MenuHelp", 1) self.splitter = qt.QSplitter(self) self.splitter.setOrientation(qt.Qt.Horizontal) #self.splitterLayout = qt.QVBoxLayout(self.splitter) #self.splitterLayout.setContentsMargins(0, 0, 0, 0) #self.splitterLayout.setSpacing(0) self.printer= qt.QPrinter() if QTVERSION > '5.0.0': self.mdi = qt.QMdiArea(self.splitter) else: self.mdi = qt.QWorkspace(self.splitter) self.mdi.setScrollBarsEnabled(1) if not hasattr(self.mdi, "windowList"): # Qt5 self.mdi.windowList = self.mdi.subWindowList self.mdi.activeWindow = self.mdi.activeSubWindow self.mdi.tile = self.mdi.tileSubWindows self.mdi.cascade = self.mdi.cascadeSubWindows else: # Qt4 self.mdi.subWindowList = self.mdi.windowList self.mdi.activeSubWindow = self.mdi.activeWindow self.mdi.tileSubWindows = self.mdi.tile self.mdi.cascadeSubWindows = self.mdi.cascade #if QTVERSION > '4.0.0':self.mdi.setBackground(qt.QBrush(qt.QColor(238,234,238))) #self.setCentralWidget(self.mdi) #self.splitterLayout.addWidget(self.mdi) self.setCentralWidget(self.splitter) self.splitter.insertWidget(1, self.mdi) self.windowMapper = qt.QSignalMapper(self) if QTVERSION > '5.0.0': self.windowMapper.mapped[qt.QWidget].connect(self.mdi.setActiveSubWindow) else: self.windowMapper.mapped[qt.QWidget].connect(self.mdi.setActiveWindow) #self.setDockEnabled(qt.Qt.DockTop, 0) self.initIcons() if QTVERSION > '4.0.0': self.createActions() self.initMenuBar() self.initToolBar() self.followActiveWindow= 0 self.mdi.show() #self.resize(600,400) def createActions(self): #fileopen self.actionOpen = qt.QAction(self) self.actionOpen.setText(QString("&Open")) self.actionOpen.setIcon(self.Icons["fileopen"]) self.actionOpen.setShortcut(qt.Qt.CTRL+qt.Qt.Key_O) self.actionOpen.triggered[bool].connect(self.onOpen) #filesaveas self.actionSaveAs = qt.QAction(self) self.actionSaveAs.setText(QString("&Save")) self.actionSaveAs.setIcon(self.Icons["filesave"]) self.actionSaveAs.setShortcut(qt.Qt.CTRL+qt.Qt.Key_S) self.actionSaveAs.triggered[bool].connect(self.onSaveAs) #filesave self.actionSave = qt.QAction(self) self.actionSave.setText(QString("Save &Defaults")) #self.actionSave.setIcon(self.Icons["filesave"]) #self.actionSave.setShortcut(qt.Qt.CTRL+qt.Qt.Key_S) self.actionSave.triggered[bool].connect(self.onSave) #fileprint self.actionPrint = qt.QAction(self) self.actionPrint.setText(QString("&Print")) self.actionPrint.setIcon(self.Icons["fileprint"]) self.actionPrint.setShortcut(qt.Qt.CTRL+qt.Qt.Key_P) self.actionPrint.triggered[bool].connect(self.onPrint) #filequit self.actionQuit = qt.QAction(self) self.actionQuit.setText(QString("&Quit")) #self.actionQuit.setIcon(self.Icons["fileprint"]) self.actionQuit.setShortcut(qt.Qt.CTRL+qt.Qt.Key_Q) qApp = qt.QApplication.instance() self.actionQuit.triggered[bool].connect(qApp.closeAllWindows) def initIcons(self): self.Icons= {} for (name, icon) in IconDict.items(): pixmap= qt.QPixmap(icon) self.Icons[name]= qt.QIcon(pixmap) def initToolBar(self): if self.options["FileToolBar"]: self.fileToolBar= self.addToolBar("filetoolbar") self.fileToolBar.addAction(self.actionOpen) self.fileToolBar.addAction(self.actionSaveAs) self.fileToolBar.addAction(self.actionPrint) self.fileToolBar.addSeparator() self.onInitToolBar() if self.options["WinToolBar"]: self.winToolBar = self.addToolBar("wintoolbar") def onWinToolMenu(self, idx): if DEBUG: print("onWinToolMenu %d " % idx) for midx in self.winToolMenuIndex: self.winToolMenu.setItemChecked(midx, midx==idx) act= self.winToolMenuIndex.index(idx) self.winToolButton.setTextLabel(self.winToolMenuText[act]) if act==0: self.winToolMenuAction= self.windowCascade elif act==1: self.winToolMenuAction= self.windowTile elif act==2: self.winToolMenuAction= self.windowHorizontal elif act==3: self.winToolMenuAction= self.windowVertical self.onWinToolAction() def onWinToolAction(self): apply(self.winToolMenuAction, ()) # # Mdi windows geometry # def windowCascade(self): if self.followActiveWindow: self.__disconnectFollow() self.mdi.cascade() for window in self.mdi.windowList(): window.resize(0.7*self.mdi.width(),0.7*self.mdi.height()) if self.followActiveWindow: self.__connectFollow() def windowTile(self): if self.followActiveWindow: self.__disconnectFollow() self.mdi.tile() if self.followActiveWindow: self.__connectFollow() def windowHorizontal(self): #if self.followActiveWindow: self.__disconnectFollow() if not len(self.mdi.windowList()): return windowheight=float(self.mdi.height())/len(self.mdi.windowList()) i=0 for window in self.mdi.windowList(): window.parentWidget().showNormal() window.parentWidget().setGeometry(0, int(windowheight*i), self.mdi.width(),int(windowheight)) if QTVERSION < '4.0.0': window.parentWidget().raiseW() else: window.parentWidget().raise_() i+=1 self.mdi.update() self.update() #if self.followActiveWindow: self.__connectFollow() def windowVertical(self): #if self.followActiveWindow: self.__disconnectFollow() if not len(self.mdi.windowList()): return windowwidth=float(self.mdi.width())/len(self.mdi.windowList()) i=0 for window in self.mdi.windowList(): window.parentWidget().showNormal() window.parentWidget().setGeometry(int(windowwidth*i),0, int(windowwidth),self.mdi.height()) window.parentWidget().raise_() i+=1 self.mdi.update() self.update() #if self.followActiveWindow: self.__connectFollow() def windowFullScreen(self): if len(self.mdi.windowList()): self.mdi.activeWindow().showMaximized() def initMenuBar(self): if self.options["MenuFile"]: #self.menubar = qt.QMenuBar(self) self.menuFile= qt.QMenu() self.menuFile.addAction(self.actionOpen) self.menuFile.addAction(self.actionSaveAs) self.menuFile.addAction(self.actionSave) self.menuFile.addSeparator() self.menuFile.addAction(self.actionPrint) self.menuFile.addSeparator() self.menuFile.addAction(self.actionQuit) self.menuFile.setTitle("&File") self.menuBar().addMenu(self.menuFile) self.onInitMenuBar(self.menuBar()) if self.options["MenuTools"]: self.menuTools= qt.QMenu() #self.menuTools.setCheckable(1) self.menuTools.aboutToShow[()].connect(self.menuToolsAboutToShow) self.menuTools.setTitle("&Tools") self.menuBar().addMenu(self.menuTools) if self.options["MenuWindow"]: self.menuWindow= qt.QMenu() #self.menuWindow.setCheckable(1) self.menuWindow.aboutToShow[()].connect(self.menuWindowAboutToShow) self.menuWindow.setTitle("&Window") self.menuBar().addMenu(self.menuWindow) if self.options["MenuHelp"]: self.menuHelp= qt.QMenu() self.menuHelp.addAction("&About", self.onAbout) self.menuHelp.addAction("About &Qt",self.onAboutQt) self.menuBar().addSeparator() self.menuHelp.setTitle("&Help") self.menuBar().addMenu(self.menuHelp) def menuWindowAboutToShow(self): if DEBUG: print("menuWindowAboutToShow") self.menuWindow.clear() if len(self.mdi.windowList())==0: return self.menuWindow.addAction("&Cascade", self.windowCascade) self.menuWindow.addAction("&Tile", self.windowTile) self.menuWindow.addAction("&Tile Horizontally", self.windowHorizontal) self.menuWindow.addAction("&Tile Vertically", self.windowVertical) windows=self.mdi.windowList() if len(windows) > 0: self.menuWindow.addSeparator() num = 0 for window in windows: text = "&%d %s"%(num, str(window.windowTitle())) num += 1 action = self.menuWindow.addAction(text) action.setCheckable(True) action.setChecked(window == self.mdi.activeWindow()) action.triggered.connect(self.windowMapper.map) self.windowMapper.setMapping(action, window) def _windowMapperMapSlot(self): return self.windowMapper.map() def menuWindowActivated(self, idx = None): if DEBUG: print("menuWindowActivated idx = ",idx) if idx is None:return if self.menuWindowMap[idx].isHidden(): self.menuWindowMap[idx].show() self.menuWindowMap[idx].raise_() self.menuWindowMap[idx].setFocus() def __connectFollow(self): self.mdi.windowActivated.connect(self.onWindowActivated) def __disconnectFollow(self): self.mdi.windowActivated.disconnect(self.onWindowActivated) def setFollowActiveWindow(self, follow): if follow != self.followActiveWindow: if not follow: self.__disconnectFollow() else: self.__connectFollow() self.followActiveWindow= follow def onWindowActivated(self, win): print("Window activated") pass # # Dock windows # def isCustomizable(self): nb= 0 for win in self.dockWindows(): nb += isinstance(win, DockWindow) return (nb>0) def customize(self, *args): dg= DockPlaceDialog(self, window=self, title="Tool Places") dg.exec_loop() # # Menus customization # def onInitMenuBar(self, menubar): pass def onInitFileToolBar(self, toolbar): pass def onInitToolBar(self): pass def onInitWinToolBar(self, toolbar): pass def menuToolsAboutToShow(self): if DEBUG: print("menuToolsAboutToShow") self.menuTools.clear() self.menuToolsMap= {} """ for win in self.dockWindows(): if isinstance(win, DockWindow): idx= self.menuTools.insertItem("%s"%str(win.caption()), self.menuToolsActivated) self.menuToolsMap[idx]= win self.menuTools.setItemChecked(idx, not win.isHidden()) """ if len(self.menuToolsMap.keys()): self.menuTools.insertSeparator() self.menuTools.insertItem("Customize", self.customize) def menuToolsActivated(self, idx): if DEBUG: print("menuToolsActivated idx = ",idx) if self.menuTools.isItemChecked(idx): self.menuToolsMap[idx].hide() else: self.menuToolsMap[idx].show() # # Menus customization # def onInitMenuBar(self, menubar): pass def onInitFileToolBar(self, toolbar): pass def onInitToolBar(self): pass def onInitWinToolBar(self, toolbar): pass # # Menus callback # def onAboutQt(self): qt.QMessageBox.aboutQt(self, "About Qt") def onAbout(self): qt.QMessageBox.about(self, "MDI", "MDI Application Framework\nVersion: "+__version__) def onOpen(self): qt.QMessageBox.about(self, "Open", "Not implemented") def onSave(self): qt.QMessageBox.about(self, "Save", "Not implemented") def onSaveAs(self): qt.QMessageBox.about(self, "SaveAs", "Not implemented") def onPrint(self): qt.QMessageBox.about(self, "Print", "Not implemented") def main(args): app = qt.QApplication(args) #if sys.platform == 'win32': if 1: winpalette = qt.QPalette(qt.QColor(230,240,249),qt.QColor(238,234,238)) app.setPalette(winpalette) options = '' longoptions = ['spec=','shm='] try: opts, args = getopt.getopt( sys.argv[1:], options, longoptions) except getopt.error: print(sys.exc_info()[1]) sys.exit(1) # --- waiting widget kw={} for opt, arg in opts: if opt in ('--spec'): kw['spec'] = arg elif opt in ('--shm'): kw['shm'] = arg #demo = McaWindow.McaWidget(**kw) demo = PyMcaMdi() app.lastWindowClosed.connect(app.quit) demo.show() app.exec_() if __name__ == '__main__': main(sys.argv) PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/PyMcaBatch.py0000644000276300001750000023513513173367502021155 0ustar solebliss00000000000000#!/usr/bin/env python #/*########################################################################## # Copyright (C) 2004-2017 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os import time import subprocess from PyMca5.PyMcaGui import PyMcaQt as qt QTVERSION = qt.qVersion() try: import h5py from PyMca5.PyMcaCore import NexusDataSource from PyMca5.PyMcaGui.io.hdf5 import QNexusWidget from PyMca5.PyMcaGui.io.hdf5 import HDF5Selection HDF5SUPPORT = True except ImportError: HDF5SUPPORT = False from PyMca5.PyMcaIO import ConfigDict from PyMca5.PyMcaPhysics.xrf import McaAdvancedFitBatch from PyMca5.PyMcaGui.physics.xrf import QtMcaAdvancedFitReport from PyMca5.PyMcaCore import EdfFileLayer from PyMca5.PyMcaCore import SpecFileLayer from PyMca5.PyMcaGui import IconDict from PyMca5.PyMcaGui.pymca import McaCustomEvent from PyMca5.PyMcaGui.pymca import EdfFileSimpleViewer from PyMca5.PyMcaCore import HtmlIndex from PyMca5.PyMcaCore import PyMcaDirs from PyMca5.PyMcaCore import PyMcaBatchBuildOutput ROIWIDTH = 100. DEBUG = 0 class McaBatchGUI(qt.QWidget): def __init__(self,parent=None,name="PyMca batch fitting",fl=None, filelist=None,config=None,outputdir=None, actions=0): qt.QWidget.__init__(self, parent) self.setWindowTitle(name) self.setWindowIcon(qt.QIcon(qt.QPixmap(IconDict['gioconda16']))) self._layout = qt.QVBoxLayout(self) self._layout.setContentsMargins(0, 0, 0, 0) self._layout.setSpacing(0) self._edfSimpleViewer = None self._timer = None self._processList = [] self._selection = None self.__build(actions) if filelist is None: filelist = [] self.inputDir = None self.outputDir = None if outputdir is not None: if os.path.exists(outputdir): self.outputDir = outputdir else: qt.QMessageBox.information(self, "INFO", "Directory %s does not exists\nUsing %s"% (outputdir, self.outputDir)) self.configFile = None self.setFileList(filelist) self.setConfigFile(config) self.setOutputDir(self.outputDir) def __build(self,actions): self.__grid= qt.QWidget(self) self._layout.addWidget(self.__grid) #self.__grid.setGeometry(qt.QRect(30,30,288,156)) if QTVERSION < '4.0.0': grid = qt.QGridLayout(self.__grid,3,3,11,6) grid.setColStretch(0,0) grid.setColStretch(1,1) grid.setColStretch(2,0) else: grid = qt.QGridLayout(self.__grid) grid.setContentsMargins(11, 11, 11, 11) grid.setSpacing(6) #input list listrow = 0 listlabel = qt.QLabel(self.__grid) listlabel.setText("Input File list:") self.__listView = qt.QTextEdit(self.__grid) self.__listView.setMaximumHeight(30*listlabel.sizeHint().height()) self.__listButton = qt.QPushButton(self.__grid) self.__listButton.setText('Browse') self.__listButton.clicked.connect(self.browseList) grid.addWidget(listlabel, listrow, 0, qt.Qt.AlignTop|qt.Qt.AlignLeft) grid.addWidget(self.__listView, listrow, 1) grid.addWidget(self.__listButton,listrow, 2, qt.Qt.AlignTop|qt.Qt.AlignRight) if HDF5SUPPORT: self._hdf5Widget = HDF5Selection.HDF5Selection(self) grid.addWidget(self._hdf5Widget, listrow+1, 0, 1, 3) row_offset = 1 self._hdf5Widget.hide() else: row_offset = 0 #config file configrow = 1 + row_offset configlabel = qt.QLabel(self.__grid) configlabel.setText("Fit Configuration File:") if QTVERSION < '4.0.0': configlabel.setAlignment(qt.QLabel.WordBreak | qt.QLabel.AlignVCenter) self.__configLine = qt.QLineEdit(self.__grid) self.__configLine.setReadOnly(True) self.__configButton = qt.QPushButton(self.__grid) self.__configButton.setText('Browse') self.__configButton.clicked.connect(self.browseConfig) grid.addWidget(configlabel, configrow, 0, qt.Qt.AlignLeft) grid.addWidget(self.__configLine, configrow, 1) grid.addWidget(self.__configButton, configrow, 2, qt.Qt.AlignLeft) #output dir outrow = 2 + row_offset outlabel = qt.QLabel(self.__grid) outlabel.setText("Output dir:") if QTVERSION < '4.0.0': outlabel.setAlignment(qt.QLabel.WordBreak | qt.QLabel.AlignVCenter) self.__outLine = qt.QLineEdit(self.__grid) self.__outLine.setReadOnly(True) #self.__outLine.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Maximum, qt.QSizePolicy.Fixed)) self.__outButton = qt.QPushButton(self.__grid) self.__outButton.setText('Browse') self.__outButton.clicked.connect(self.browseOutputDir) grid.addWidget(outlabel, outrow, 0, qt.Qt.AlignLeft) grid.addWidget(self.__outLine, outrow, 1) grid.addWidget(self.__outButton, outrow, 2, qt.Qt.AlignLeft) box = qt.QWidget(self) box.l = qt.QHBoxLayout(box) box.l.setContentsMargins(11, 11, 11, 11) box.l.setSpacing(0) vbox1 = qt.QWidget(box) vbox1.l = qt.QVBoxLayout(vbox1) vbox1.l.setContentsMargins(0, 0, 0, 0) vbox1.l.setSpacing(0) box.l.addWidget(vbox1) vbox2 = qt.QWidget(box) vbox2.l = qt.QVBoxLayout(vbox2) vbox2.l.setContentsMargins(0, 0, 0, 0) vbox2.l.setSpacing(0) box.l.addWidget(vbox2) vbox3 = qt.QWidget(box) vbox3.l = qt.QVBoxLayout(vbox3) vbox3.l.setContentsMargins(0, 0, 0, 0) vbox3.l.setSpacing(0) box.l.addWidget(vbox3) self.__fitBox = qt.QCheckBox(vbox1) self.__fitBox.setText('Generate .fit Files') palette = self.__fitBox.palette() #if QTVERSION < '4.0.0': # palette.setDisabled(palette.active()) #else: # print("palette set disabled") self.__fitBox.setChecked(False) self.__fitBox.setEnabled(True) vbox1.l.addWidget(self.__fitBox) self.__imgBox = qt.QCheckBox(vbox2) self.__imgBox.setText('Generate Peak Images') palette = self.__imgBox.palette() if QTVERSION < '4.0.0': palette.setDisabled(palette.active()) else: if DEBUG: print("palette set disabled") self.__imgBox.setChecked(True) self.__imgBox.setEnabled(False) vbox2.l.addWidget(self.__imgBox) """ self.__specBox = qt.QCheckBox(box) self.__specBox.setText('Generate Peak Specfile') palette = self.__specBox.palette() palette.setDisabled(palette.active()) self.__specBox.setChecked(False) self.__specBox.setEnabled(False) """ self.__htmlBox = qt.QCheckBox(vbox3) self.__htmlBox.setText('Generate Report (SLOW!)') #palette = self.__htmlBox.palette() #palette.setDisabled(palette.active()) self.__htmlBox.setChecked(False) self.__htmlBox.setEnabled(True) vbox3.l.addWidget(self.__htmlBox) #report options #reportBox = qt.QHBox(self) self.__tableBox = qt.QCheckBox(vbox1) self.__tableBox.setText('Table in Report') palette = self.__tableBox.palette() #if QTVERSION < '4.0.0': # palette.setDisabled(palette.active()) #else: # print("palette set disabled") self.__tableBox.setChecked(True) self.__tableBox.setEnabled(False) vbox1.l.addWidget(self.__tableBox) self.__extendedTable = qt.QCheckBox(vbox2) self.__extendedTable.setText('Extended Table') self.__extendedTable.setChecked(True) self.__extendedTable.setEnabled(False) vbox2.l.addWidget(self.__extendedTable) self.__concentrationsBox = qt.QCheckBox(vbox3) self.__concentrationsBox.setText('Concentrations') self.__concentrationsBox.setChecked(False) self.__concentrationsBox.setEnabled(True) #self.__concentrationsBox.setEnabled(False) vbox3.l.addWidget(self.__concentrationsBox) self._layout.addWidget(box) # other stuff bigbox = qt.QWidget(self) bigbox.l = qt.QHBoxLayout(bigbox) bigbox.l.setContentsMargins(0, 0, 0, 0) bigbox.l.setSpacing(0) vBox = qt.QWidget(bigbox) vBox.l = qt.QVBoxLayout(vBox) vBox.l.setContentsMargins(0, 0, 0, 0) vBox.l.setSpacing(2) bigbox.l.addWidget(vBox) if 0: #These options are obsolete now self.__overwrite = qt.QCheckBox(vBox) self.__overwrite.setText('Overwrite Fit Files') self.__overwrite.setChecked(True) vBox.l.addWidget(self.__overwrite) self.__useExisting = qt.QCheckBox(vBox) self.__useExisting.setText('Use Existing Fit Files') self.__useExisting.setChecked(False) vBox.l.addWidget(self.__useExisting) self.__overwrite.clicked.connect(self.__clickSignal0) self.__useExisting.clicked.connect(self.__clickSignal1) self.__concentrationsBox.clicked.connect(self.__clickSignal2) self.__htmlBox.clicked.connect(self.__clickSignal3) boxStep0 = qt.QWidget(bigbox) boxStep0.l = qt.QVBoxLayout(boxStep0) boxStep = qt.QWidget(boxStep0) boxStep.l= qt.QHBoxLayout(boxStep) boxStep.l.setContentsMargins(0, 0, 0, 0) boxStep.l.setSpacing(0) boxStep0.l.addWidget(boxStep) bigbox.l.addWidget(boxStep0) if 0: self.__boxFStep = qt.QWidget(boxStep) boxFStep = self.__boxFStep boxFStep.l = qt.QHBoxLayout(boxFStep) boxFStep.l.setContentsMargins(0, 0, 0, 0) boxFStep.l.setSpacing(0) boxStep.l.addWidget(boxFStep) label= qt.QLabel(boxFStep) label.setText("File Step:") self.__fileSpin = qt.QSpinBox(boxFStep) if QTVERSION < '4.0.0': self.__fileSpin.setMinValue(1) self.__fileSpin.setMaxValue(10) else: self.__fileSpin.setMinimum(1) self.__fileSpin.setMaximum(10) self.__fileSpin.setValue(1) boxFStep.l.addWidget(label) boxFStep.l.addWidget(self.__fileSpin) self.__boxMStep = qt.QWidget(boxStep0) boxMStep = self.__boxMStep boxMStep.l = qt.QHBoxLayout(boxMStep) boxMStep.l.setContentsMargins(0, 0, 0, 0) boxMStep.l.setSpacing(0) boxStep0.l.addWidget(boxMStep) label= qt.QLabel(boxMStep) label.setText("MCA Step:") self.__mcaSpin = qt.QSpinBox(boxMStep) if QTVERSION < '4.0.0': self.__mcaSpin.setMinValue(1) self.__mcaSpin.setMaxValue(10) else: self.__mcaSpin.setMinimum(1) self.__mcaSpin.setMaximum(10) self.__mcaSpin.setValue(1) boxMStep.l.addWidget(label) boxMStep.l.addWidget(self.__mcaSpin) #box2 = qt.QHBox(self) self.__roiBox = qt.QCheckBox(vBox) self.__roiBox.setText('ROI Fitting Mode') vBox.l.addWidget(self.__roiBox) #box3 = qt.QHBox(box2) self.__box3 = qt.QWidget(boxStep0) box3 = self.__box3 box3.l = qt.QHBoxLayout(box3) box3.l.setContentsMargins(0, 0, 0, 0) box3.l.setSpacing(0) boxStep0.l.addWidget(box3) label= qt.QLabel(box3) label.setText("ROI Width (eV):") self.__roiSpin = qt.QSpinBox(box3) if QTVERSION < '4.0.0': self.__roiSpin.setMinValue(10) self.__roiSpin.setMaxValue(1000) else: self.__roiSpin.setMinimum(10) self.__roiSpin.setMaximum(1000) self.__roiSpin.setValue(ROIWIDTH) box3.l.addWidget(label) box3.l.addWidget(self.__roiSpin) #BATCH SPLITTING self.__splitBox = qt.QCheckBox(vBox) self.__splitBox.setText('EXPERIMENTAL: Use several processes') vBox.l.addWidget(self.__splitBox) #box3 = qt.QHBox(box2) self.__box4 = qt.QWidget(boxStep0) box4 = self.__box4 box4.l = qt.QHBoxLayout(box4) box4.l.setContentsMargins(0, 0, 0, 0) box4.l.setSpacing(0) boxStep0.l.addWidget(box4) label= qt.QLabel(box4) label.setText("Number of processes:") self.__splitSpin = qt.QSpinBox(box4) if QTVERSION < '4.0.0': self.__splitSpin.setMinValue(1) self.__splitSpin.setMaxValue(1000) else: self.__splitSpin.setMinimum(1) self.__splitSpin.setMaximum(1000) self.__splitSpin.setValue(2) box4.l.addWidget(label) box4.l.addWidget(self.__splitSpin) self._layout.addWidget(bigbox) if actions: self.__buildActions() def __clickSignal0(self): if self.__overwrite.isChecked(): self.__useExisting.setChecked(0) else: self.__useExisting.setChecked(1) def __clickSignal1(self): if self.__useExisting.isChecked(): self.__overwrite.setChecked(0) else: self.__overwrite.setChecked(1) def __clickSignal2(self): #self.__tableBox.setEnabled(True) pass def __clickSignal3(self): if self.__htmlBox.isChecked(): self.__tableBox.setEnabled(True) #self.__concentrationsBox.setEnabled(True) self.__fitBox.setChecked(True) self.__fitBox.setEnabled(False) else: self.__tableBox.setEnabled(False) #self.__concentrationsBox.setEnabled(False) self.__fitBox.setChecked(False) self.__fitBox.setEnabled(True) def __buildActions(self): box = qt.QWidget(self) box.l = qt.QHBoxLayout(box) box.l.addWidget(qt.HorizontalSpacer(box)) self.__dismissButton = qt.QPushButton(box) box.l.addWidget(self.__dismissButton) box.l.addWidget(qt.HorizontalSpacer(box)) self.__dismissButton.setText("Close") self.__startButton = qt.QPushButton(box) box.l.addWidget(self.__startButton) box.l.addWidget(qt.HorizontalSpacer(box)) self.__startButton.setText("Start") self.__dismissButton.clicked.connect(self.close) self.__startButton.clicked.connect(self.start) self._layout.addWidget(box) def close(self): if self._edfSimpleViewer is not None: self._edfSimpleViewer.close() self._edfSimpleViewer = None qt.QWidget.close(self) def setFileList(self,filelist=None): if filelist is None:filelist = [] if True or self.__goodFileList(filelist): text = "" oldtype = None #do not sort the file list #respect user choice #filelist.sort() for file in filelist: filetype = self.__getFileType(file) if filetype is None:return if oldtype is None: oldtype = filetype if oldtype != filetype: qt.QMessageBox.critical(self, "ERROR", "Type %s does not match type %s on\n%s"% (filetype,oldtype,file)) return text += "%s\n" % file if len(filelist): if HDF5SUPPORT: if not h5py.is_hdf5(filelist[0]): self._hdf5Widget.hide() self._selection=None else: dialog = qt.QDialog(self) dialog.setWindowTitle('Select your data set') dialog.mainLayout = qt.QVBoxLayout(dialog) dialog.mainLayout.setContentsMargins(0, 0, 0, 0) dialog.mainLayout.setSpacing(0) datasource = NexusDataSource.NexusDataSource(filelist[0]) nexusWidget = QNexusWidget.QNexusWidget(dialog) nexusWidget.buttons.hide() nexusWidget.setDataSource(datasource) button = qt.QPushButton(dialog) button.setText("Done") button.setAutoDefault(True) button.clicked.connect(dialog.accept) dialog.mainLayout.addWidget(nexusWidget) dialog.mainLayout.addWidget(button) ret = dialog.exec_() cntSelection = nexusWidget.cntTable.getCounterSelection() cntlist = cntSelection['cntlist'] if not len(cntlist): text = "No dataset selection" self.showMessage(text) self.__listView.clear() return if not len(cntSelection['y']): text = "No dataset selected as y" self.showMessage(text) self.__listView.clear() return datasource = None selection = {} selection['x'] = [] selection['y'] = [] selection['m'] = [] for key in ['x', 'y', 'm']: if len(cntSelection[key]): for idx in cntSelection[key]: selection[key].append(cntlist[idx]) self._selection = selection self._hdf5Widget.setSelection(selection) #they are not used yet #self._hdf5Widget.selectionWidgetsDict['x'].hide() #self._hdf5Widget.selectionWidgetsDict['m'].hide() if self._hdf5Widget.isHidden(): self._hdf5Widget.show() elif filelist[0][-3:].lower() in ['.h5', 'nxs', 'hdf', 'hdf5']: text = "Warning, this looks as an HDF5 file " text += "but you do not have HDF5 support." self.showMessage(text) self.fileList = filelist if len(self.fileList): self.inputDir = os.path.dirname(self.fileList[0]) PyMcaDirs.inputDir = os.path.dirname(self.fileList[0]) if QTVERSION < '4.0.0': self.__listView.setText(text) else: self.__listView.clear() self.__listView.insertPlainText(text) def showMessage(self, text): msg = qt.QMessageBox(self) msg.setWindowTitle("PyMcaBatch Message") msg.setIcon(qt.QMessageBox.Information) msg.setText(text) msg.exec_() def setConfigFile(self,configfile=None): if configfile is None:return if self.__goodConfigFile(configfile): self.configFile = configfile if type(configfile) == type([]): #do not sort file list #self.configFile.sort() self.__configLine.setText(self.configFile[0]) self.lastInputDir = os.path.dirname(self.configFile[0]) else: self.__configLine.setText(configfile) self.lastInputDir = os.path.dirname(self.configFile) def setOutputDir(self,outputdir=None): if outputdir is None: return if self.__goodOutputDir(outputdir): self.outputDir = outputdir PyMcaDirs.outputDir = outputdir self.__outLine.setText(outputdir) else: qt.QMessageBox.critical(self, "ERROR", "Cannot use output directory:\n%s"% (outputdir)) def __goodFileList(self,filelist): if not len(filelist): return True for ffile in filelist: if not os.path.exists(ffile): qt.QMessageBox.critical(self, "ERROR", 'File %s\ndoes not exists' % ffile) if QTVERSION < '4.0.0': self.raiseW() else: self.raise_() return False return True def __goodConfigFile(self,configfile0): if type(configfile0) != type([]): configfileList = [configfile0] else: configfileList = configfile0 for configfile in configfileList: if not os.path.exists(configfile): qt.QMessageBox.critical(self, "ERROR",'File %s\ndoes not exists' % configfile) if QTVERSION < '4.0.0': self.raiseW() else: self.raise_() return False elif len(configfile.split()) > 1: if sys.platform != 'win32': qt.QMessageBox.critical(self, "ERROR",'Configuration File:\n %s\ncontains spaces in the path' % configfile) if QTVERSION < '4.0.0': self.raiseW() else: self.raise_() return False return True def __goodOutputDir(self,outputdir): if not os.path.isdir(outputdir): return False elif len(outputdir.split()) > 1: if sys.platform != 'win32': qt.QMessageBox.critical(self, "ERROR", 'Output Directory:\n %s\ncontains spaces in the path' % outputdir) if QTVERSION < '4.0.0': self.raiseW() else: self.raise_() return False return True def __getFileType(self,inputfile): try: ffile = None try: ffile = EdfFileLayer.EdfFileLayer(fastedf=0) ffile.SetSource(inputfile) fileinfo = ffile.GetSourceInfo() if fileinfo['KeyList'] == []:ffile=None return "EdfFile" except: pass if (ffile is None): ffile = SpecFileLayer.SpecFileLayer() ffile.SetSource(inputfile) del ffile return "Specfile" except: qt.QMessageBox.critical(self, sys.exc_info()[0], 'I do not know what to do with file\n %s' % ffile) if QTVERSION < '4.0.0': self.raiseW() else: self.raise_() return None def browseList(self): self.inputDir = PyMcaDirs.inputDir if not os.path.exists(self.inputDir): self.inputDir = os.getcwd() wdir = self.inputDir filedialog = qt.QFileDialog(self) filedialog.setWindowTitle("Open a set of files") filedialog.setDirectory(wdir) filedialog.setModal(1) filedialog.setFileMode(filedialog.ExistingFiles) filetypes = "McaFiles (*.mca)\nEdfFiles (*.edf)\n" if HDF5SUPPORT: filetypes += "HDF5 (*.nxs *.h5 *.hdf *.hdf5)\n" filetypes += "SpecFiles (*.spec)\nSpecFiles (*.dat)\nAll files (*)" #if (QTVERSION < '4.3.0') and sys.platform == "win32": if False and PyMcaDirs.nativeFileDialogs: #windows file dialogs have difficulties when dealing with #thousands of files, I do not know if other platforms too try: # API 1 filelist = qt.QFileDialog.getOpenFileNames(self, "Open a set of files", wdir, filetypes, None) #This should be the last file filter used except: # API 2 filelist, andFilter = \ qt.QFileDialog.getOpenFileNamesAndFilter(self, "Open a set of files", wdir, filetypes, None) #This should be the last file filter used else: if hasattr(filedialog, "setFilters"): filedialog.setFilters(filetypes.split("\n")) else: filedialog.setNameFilters(filetypes.split("\n")) ret = filedialog.exec_() if ret == qt.QDialog.Accepted: filelist=filedialog.selectedFiles() else: self.raise_() return if len(filelist): filelist = [qt.safe_str(x) for x in filelist] self.setFileList(filelist) self.raise_() def browseConfig(self): self.inputDir = PyMcaDirs.inputDir if not os.path.exists(self.inputDir): self.inputDir = os.getcwd() wdir = self.inputDir if QTVERSION < '4.0.0': filename = qt.QFileDialog(self,"Open a new fit config file",1) filename.setMode(filename.ExistingFiles) filename.setDir(wdir) else: filename = qt.QFileDialog(self) filename.setWindowTitle("Open a new fit config file") filename.setModal(1) filename.setFileMode(filename.ExistingFiles) filename.setDirectory(wdir) filetypes = "Config Files (*.cfg)\nAll files (*)" if PyMcaDirs.nativeFileDialogs: try: # API 1 filenameList = qt.QFileDialog.getOpenFileNames(self, "Open a new fit config file", wdir, filetypes, None) #This should be the filter used except: # API 2 filenameList, andFilter = \ qt.QFileDialog.getOpenFileNamesAndFilter(self, "Open a new fit config file", wdir, filetypes, None) #This should be the filter used else: if hasattr(filename, "setFilters"): filename.setFilters(["Config Files (*.cfg)", "All files (*)"]) else: filename.setNameFilters(["Config Files (*.cfg)", "All files (*)"]) ret = filename.exec_() if ret == qt.QDialog.Accepted: filenameList = filename.selectedFiles() else: self.raise_() return filename = [] for f in filenameList: filename.append(qt.safe_str(f)) if len(filename) == 1: self.setConfigFile(qt.safe_str(filename[0])) elif len(filenameList): self.setConfigFile(filename) if QTVERSION < '4.0.0': self.raiseW() else: self.raise_() def browseOutputDir(self): self.outputDir = PyMcaDirs.outputDir if not os.path.exists(self.outputDir): self.outputDir = os.getcwd() wdir = self.outputDir if QTVERSION < '4.0.0': outfile = qt.QFileDialog(self,"Output Directory Selection",1) outfile.setMode(outfile.DirectoryOnly) outfile.setDir(wdir) ret = outfile.exec_loop() else: outfile = qt.QFileDialog(self) outfile.setWindowTitle("Output Directory Selection") outfile.setModal(1) outfile.setDirectory(wdir) outfile.setFileMode(outfile.DirectoryOnly) ret = outfile.exec_() if ret: if QTVERSION < '4.0.0': outdir=qt.safe_str(outfile.selectedFile()) else: outdir=qt.safe_str(outfile.selectedFiles()[0]) outfile.close() del outfile self.setOutputDir(outdir) else: outfile.close() del outfile if QTVERSION < '4.0.0': self.raiseW() else: self.raise_() def start(self): if not len(self.fileList): qt.QMessageBox.critical(self, "ERROR",'Empty file list') self.raise_() return if self.__splitBox.isChecked(): if sys.platform == 'darwin': if ".app" in os.path.dirname(__file__): text = 'Multiple processes only supported on MacOS X when built from source\n' text += 'and not when running the frozen binary.' qt.QMessageBox.critical(self, "ERROR",text) self.raise_() return if len(self.fileList) == 1: if int(qt.safe_str(self.__splitSpin.text())) > 1: allowSingleFileSplitProcesses = False if HDF5SUPPORT: if h5py.is_hdf5(self.fileList[0]): if DEBUG: print("Disallow single HDF5 process split") print("due to problems with concurrent access") #allowSingleFileSplitProcesses = True allowSingleFileSplitProcesses = False if not allowSingleFileSplitProcesses: text = "Multiple processes can only be used with multiple input files." qt.QMessageBox.critical(self, "ERROR",text) self.raise_() return if (self.configFile is None) or (not self.__goodConfigFile(self.configFile)): qt.QMessageBox.critical(self, "ERROR",'Invalid fit configuration file') self.raise_() return if type(self.configFile) == type([]): if len(self.configFile) != len(self.fileList): qt.QMessageBox.critical(self, "ERROR", 'Number of config files should be either one or equal to number of files') self.raise_() return if (self.outputDir is None) or (not self.__goodOutputDir(self.outputDir)): qt.QMessageBox.critical(self, "ERROR",'Invalid output directory') self.raise_() return name = "Batch from %s to %s " % (os.path.basename(self.fileList[ 0]), os.path.basename(self.fileList[-1])) roifit = self.__roiBox.isChecked() html = self.__htmlBox.isChecked() #if html: concentrations = self.__concentrationsBox.isChecked() #else: # concentrations = 0 if self.__tableBox.isChecked(): if self.__extendedTable.isChecked(): table = 2 else: table = 1 else: table =0 #htmlindex = qt.safe_str(self.__htmlIndex.text()) htmlindex = "index.html" if html: if len(htmlindex)<5: htmlindex+=".html" if len(htmlindex) == 5: htmlindex = "index.html" if htmlindex[-5:] != "html": htmlindex+=".html" roiwidth = float(qt.safe_str(self.__roiSpin.text())) if 0: overwrite= self.__overwrite.isChecked() filestep = int(qt.safe_str(self.__fileSpin.text())) mcastep = int(qt.safe_str(self.__mcaSpin.text())) else: overwrite= 1 filestep = 1 mcastep = 1 if len(self.fileList) == 1: if self.__splitBox.isChecked(): nbatches = int(qt.safe_str(self.__splitSpin.text())) mcastep = nbatches fitfiles = self.__fitBox.isChecked() selection = self._selection if selection is None: selectionFlag = False else: selectionFlag = True if self._edfSimpleViewer is not None: self._edfSimpleViewer.close() self._edfSimpleViewer = None if roifit: window = McaBatchWindow(name="ROI"+name,actions=1, outputdir=self.outputDir, html=html, htmlindex=htmlindex, table = 0) b = McaBatch(window,self.configFile,self.fileList,self.outputDir,roifit=roifit, roiwidth=roiwidth,overwrite=overwrite,filestep=1,mcastep=1, concentrations=0, fitfiles=fitfiles, selection=selection) def cleanup(): b.pleasePause = 0 b.pleaseBreak = 1 b.wait() qApp = qt.QApplication.instance() qApp.processEvents() def pause(): if b.pleasePause: b.pleasePause=0 window.pauseButton.setText("Pause") else: b.pleasePause=1 window.pauseButton.setText("Continue") window.pauseButton.clicked.connect(pause) window.abortButton.clicked.connect(window.close) qApp = qt.QApplication.instance() qApp.aboutToQuit[()].connect(cleanup) self.__window = window self.__b = b window.show() b.start() elif (sys.platform == 'darwin') and\ ((".app" in os.path.dirname(__file__)) or (not self.__splitBox.isChecked())): #almost identical to batch window = McaBatchWindow(name="ROI"+name,actions=1,outputdir=self.outputDir, html=html,htmlindex=htmlindex, table = table) b = McaBatch(window,self.configFile,self.fileList,self.outputDir,roifit=roifit, roiwidth=roiwidth,overwrite=overwrite,filestep=filestep, mcastep=mcastep, concentrations=concentrations, fitfiles=fitfiles, selection=selection) def cleanup(): b.pleasePause = 0 b.pleaseBreak = 1 b.wait() qApp = qt.QApplication.instance() qApp.processEvents() def pause(): if b.pleasePause: b.pleasePause=0 window.pauseButton.setText("Pause") else: b.pleasePause=1 window.pauseButton.setText("Continue") window.pauseButton.clicked.connect(pause) window.abortButton.clicked.connect(window.close) qApp = qt.QApplication.instance() qApp.aboutToQuit[()].connect(cleanup) window._rootname = "%s"% b._rootname self.__window = window self.__b = b window.show() b.start() elif sys.platform == 'win32': try: dirname = os.path.dirname(__file__) frozen = False if not os.path.exists(os.path.join(dirname, "PyMcaBatch.py")): # script usage case dirname = os.path.dirname(EdfFileSimpleViewer.__file__) except: # __file__ is not defined dirname = os.path.dirname(EdfFileSimpleViewer.__file__) frozen = True if os.path.basename(sys.executable) in ["PyMcaMain.exe", "PyMcaBatch.exe"]: frozen = True dirname = os.path.dirname(EdfFileSimpleViewer.__file__) listfile = os.path.join(self.outputDir, "tmpfile") self.genListFile(listfile, config=False) if frozen: # we are at level PyMca5\PyMcaGui\pymca dirname = os.path.dirname(dirname) # level PyMcaGui dirname = os.path.dirname(dirname) # level PyMca5 dirname = os.path.dirname(dirname) # directory level with exe files myself = os.path.join(dirname, "PyMcaBatch.exe") viewer = os.path.join(dirname, "EdfFileSimpleViewer.exe") rgb = os.path.join(dirname, "PyMcaPostBatch.exe") if not os.path.exists(viewer): viewer = None if not os.path.exists(rgb): rgb = None else: myself = os.path.join(dirname, "PyMcaBatch.py") viewer = os.path.join(dirname, "EdfFileSimpleViewer.py") rgb = os.path.join(dirname, "PyMcaPostBatch.py") if not os.path.exists(viewer): viewer = None else: viewer = '%s "%s"' % (sys.executable, viewer) if not os.path.exists(rgb): rgb = None else: rgb = '%s "%s"' % (sys.executable, rgb) self._rgb = rgb if type(self.configFile) == type([]): cfglistfile = os.path.join(self.outputDir, "tmpfile.cfg") self.genListFile(cfglistfile, config=True) dirname = os.path.dirname(dirname) if frozen: cmd = '"%s" --cfglistfile="%s" --outdir="%s" --overwrite=%d --filestep=%d --mcastep=%d --html=%d --htmlindex=%s --listfile="%s" --concentrations=%d --table=%d --fitfiles=%d --selection=%d' %\ (myself, cfglistfile, self.outputDir, overwrite, filestep, mcastep, html,htmlindex, listfile,concentrations, table, fitfiles, selectionFlag) else: cmd = '%s "%s" --cfglistfile="%s" --outdir="%s" --overwrite=%d --filestep=%d --mcastep=%d --html=%d --htmlindex=%s --listfile="%s" --concentrations=%d --table=%d --fitfiles=%d --selection=%d' %\ (sys.executable,myself, cfglistfile, self.outputDir, overwrite, filestep, mcastep, html,htmlindex, listfile,concentrations, table, fitfiles, selectionFlag) else: if not frozen: cmd = '%s "%s" --cfg="%s" --outdir="%s" --overwrite=%d --filestep=%d --mcastep=%d --html=%d --htmlindex=%s --listfile="%s" --concentrations=%d --table=%d --fitfiles=%d --selection=%d' % \ (sys.executable, myself, self.configFile, self.outputDir, overwrite, filestep, mcastep, html,htmlindex, listfile,concentrations, table, fitfiles, selectionFlag) else: cmd = '"%s" --cfg="%s" --outdir="%s" --overwrite=%d --filestep=%d --mcastep=%d --html=%d --htmlindex=%s --listfile="%s" --concentrations=%d --table=%d --fitfiles=%d --selection=%d' % \ (myself, self.configFile, self.outputDir, overwrite, filestep, mcastep, html,htmlindex, listfile,concentrations, table, fitfiles, selectionFlag) self.hide() qApp = qt.QApplication.instance() qApp.processEvents() if DEBUG: print("cmd = %s" % cmd) if self.__splitBox.isChecked(): nbatches = int(qt.safe_str(self.__splitSpin.text())) if len(self.fileList) > 1: filechunk = int(len(self.fileList)/nbatches) processList = [] for i in range(nbatches): beginoffset = filechunk * i endoffset = len(self.fileList) - filechunk * (i+1) if (i+1) == nbatches:endoffset = 0 cmd1 = cmd + " --filebeginoffset=%d --fileendoffset=%d --chunk=%d" % \ (beginoffset, endoffset, i) try: processList.append(subprocess.Popen(cmd1, cwd=os.getcwd())) except UnicodeEncodeError: processList.append(\ subprocess.Popen(cmd1.encode(sys.getfilesystemencoding()), cwd=os.getcwd())) if DEBUG: print("cmd = %s" % cmd1) else: #f = open("CMD", 'wb') processList = [] for i in range(nbatches): #the mcastep has been dealt with above cmd1 = cmd + " --mcaoffset=%d --chunk=%d" % (i, i) processList.append(subprocess.Popen(cmd1, cwd=os.getcwd())) if DEBUG: print("CMD = %s" % cmd1) #f.write(cmd1+"\n") #f.close() self._processList = processList if self._timer is None: self._timer = qt.QTimer(self) self._timer.timeout[()].connect(self._pollProcessList) if not self._timer.isActive(): self._timer.start(1000) else: print("timer was already active") return else: try: subprocess.call(cmd) except UnicodeEncodeError: try: subprocess.call(cmd.encode(sys.getfilesystemencoding())) except: # be ready for any weird error like missing that encoding try: subprocess.call(cmd.encode('utf-8')) except UnicodeEncodeError: subprocess.call(cmd.encode('latin-1')) self.show() else: listfile = os.path.join(self.outputDir, "tmpfile") self.genListFile(listfile, config=False) try: dirname = os.path.dirname(__file__) frozen = False if not os.path.exists(os.path.join(dirname, "PyMcaBatch.py")): # script usage case dirname = os.path.dirname(EdfFileSimpleViewer.__file__) except: # __file__ is not defined dirname = os.path.dirname(EdfFileSimpleViewer.__file__) frozen = True if not frozen: if os.path.basename(sys.executable) in ["PyMcaMain.exe", "PyMcaBatch.exe", "PyMcaMain", "PyMcaBatch"]: frozen = True dirname = os.path.dirname(EdfFileSimpleViewer.__file__) if frozen: # we are at level PyMca5\PyMcaGui\pymca dirname = os.path.dirname(dirname) # level PyMcaGui dirname = os.path.dirname(dirname) # level PyMca5 dirname = os.path.dirname(dirname) # directory level with exe files myself = os.path.join(dirname, "PyMcaBatch") viewer = os.path.join(dirname, "EdfFileSimpleViewer") rgb = os.path.join(dirname, "PyMcaPostBatch") if not os.path.exists(viewer): viewer = None if not os.path.exists(rgb): rgb = None else: myself = os.path.join(dirname, "PyMcaBatch.py") if not os.path.exists(os.path.join(dirname, myself)): dirname = os.path.dirname(EdfFileSimpleViewer.__file__) if not os.path.exists(os.path.join(dirname, myself)): text = 'Cannot locate PyMcaBatch.py file.\n' qt.QMessageBox.critical(self, "ERROR",text) self.raise_() return myself = sys.executable+" "+ os.path.join(dirname, myself) viewer = os.path.join(dirname, "EdfFileSimpleViewer.py") rgb = os.path.join(dirname, "PyMcaPostBatch.py") if not os.path.exists(viewer): viewer = None else: viewer = '%s "%s"' % (sys.executable, viewer) if not os.path.exists(rgb): rgb = None else: rgb = '%s "%s"' % (sys.executable, rgb) self._rgb = rgb if type(self.configFile) == type([]): cfglistfile = os.path.join(self.outputDir, "tmpfile.cfg") self.genListFile(cfglistfile, config=True) cmd = "%s --cfglistfile=%s --outdir=%s --overwrite=%d --filestep=%d --mcastep=%d --html=%d --htmlindex=%s --listfile=%s --concentrations=%d --table=%d --fitfiles=%d --selection=%d &" % \ (myself, cfglistfile, self.outputDir, overwrite, filestep, mcastep, html, htmlindex, listfile, concentrations, table, fitfiles, selectionFlag) else: cmd = "%s --cfg=%s --outdir=%s --overwrite=%d --filestep=%d --mcastep=%d --html=%d --htmlindex=%s --listfile=%s --concentrations=%d --table=%d --fitfiles=%d --selection=%d &" % \ (myself, self.configFile, self.outputDir, overwrite, filestep, mcastep, html, htmlindex, listfile, concentrations, table, fitfiles, selectionFlag) if DEBUG: print("cmd = %s" % cmd) if self.__splitBox.isChecked(): qApp = qt.QApplication.instance() qApp.processEvents() nbatches = int(qt.safe_str(self.__splitSpin.text())) filechunk = int(len(self.fileList)/nbatches) processList = [] for i in range(nbatches): beginoffset = filechunk * i endoffset = len(self.fileList) - filechunk * (i+1) if (i+1) == nbatches:endoffset = 0 cmd1 = cmd.replace("&", "") + \ " --filebeginoffset=%d --fileendoffset=%d --chunk=%d" % \ (beginoffset, endoffset, i) # unfortunately I have to set shell = True # otherways I get a file not found error in the # child process processList.append(\ subprocess.Popen(cmd1, cwd=os.getcwd(), shell=True, close_fds=True)) self._processList = processList self.hide() self._pollProcessList() if self._timer is None: self._timer = qt.QTimer(self) self._timer.timeout[()].connect( \ self._pollProcessList) if not self._timer.isActive(): self._timer.start(1000) else: print("timer was already active") return else: os.system(cmd) print(" COMMAND = ", cmd) msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Information) text = "Your batch has been started as an independent process." msg.setText(text) msg.exec_() def genListFile(self, listfile, config=None): if os.path.exists(listfile): try: os.remove(listfile) except: print("Cannot delete file %s" % listfile) raise if config is None: lst = self.fileList elif config: lst = self.configFile else: lst = self.fileList if lst == self.fileList: if self._selection is not None: ddict = ConfigDict.ConfigDict() ddict['PyMcaBatch'] = {} ddict['PyMcaBatch']['filelist'] = lst ddict['PyMcaBatch']['selection'] = self._selection ddict.write(listfile) return fd=open(listfile, 'wb') for filename in lst: # only the file system encoding makes sense here fd.write(('%s\n' % filename).encode(sys.getfilesystemencoding())) fd.close() def _pollProcessList(self): processList = self._processList rgb = self._rgb if QTVERSION < '4.0.0':rgb = None n = 0 for process in processList: if process.poll() is None: n += 1 if n > 0: return self._timer.stop() self.show() if QTVERSION < '4.0.0': self.raiseW() else: self.raise_() work = PyMcaBatchBuildOutput.PyMcaBatchBuildOutput(os.path.join(self.outputDir, "IMAGES")) if DEBUG: a, b, c = work.buildOutput(delete=False) else: a, b, c = work.buildOutput(delete=True) if len(a): if self._edfSimpleViewer is None: self._edfSimpleViewer = EdfFileSimpleViewer.EdfFileSimpleViewer() self._edfSimpleViewer.setFileList(a) self._edfSimpleViewer.show() if rgb is not None: if len(b): if sys.platform == "win32": try: subprocess.Popen('%s "%s"' % (rgb, b[0]), cwd = os.getcwd()) except UnicodeEncodeError: subprocess.Popen(('%s "%s"' % (rgb, b[0])).encode(sys.getfilesystemencoding()), cwd = os.getcwd()) else: os.system("%s %s &" % (rgb, b[0])) work = PyMcaBatchBuildOutput.PyMcaBatchBuildOutput(self.outputDir) if DEBUG: work.buildOutput(delete=False) else: work.buildOutput(delete=True) class McaBatch(McaAdvancedFitBatch.McaAdvancedFitBatch, qt.QThread): def __init__(self, parent, configfile, filelist=None, outputdir = None, roifit = None, roiwidth=None, overwrite=1, filestep=1, mcastep=1, concentrations=0, fitfiles=0, filebeginoffset=0, fileendoffset=0, mcaoffset=0, chunk=None, selection=None, lock=None): McaAdvancedFitBatch.McaAdvancedFitBatch.__init__(self, configfile, filelist=filelist, outputdir=outputdir, roifit=roifit, roiwidth=roiwidth, overwrite=overwrite, filestep=filestep, mcastep=mcastep, concentrations=concentrations, fitfiles=fitfiles, filebeginoffset = filebeginoffset, fileendoffset = fileendoffset, mcaoffset = mcaoffset, chunk=chunk, selection=selection, lock=lock) qt.QThread.__init__(self) self.parent = parent self.pleasePause = 0 def run(self): self.processList() def onNewFile(self, ffile, filelist): self.__lastOnNewFile = ffile ddict = {'file':ffile, 'filelist':filelist, 'filestep':self.fileStep, 'filebeginoffset':self.fileBeginOffset, 'fileendoffset':self.fileEndOffset, 'event':'onNewFile'} if QTVERSION < '4.0.0': self.postEvent(self.parent, McaCustomEvent.McaCustomEvent(ddict)) else: qt.QApplication.postEvent(self.parent, McaCustomEvent.McaCustomEvent(ddict)) if self.pleasePause:self.__pauseMethod() def onImage(self, key, keylist): ddict = {'key':key, 'keylist':keylist, 'event':'onImage'} if QTVERSION < '4.0.0': self.postEvent(self.parent, McaCustomEvent.McaCustomEvent(ddict)) else: qt.QApplication.postEvent(self.parent, McaCustomEvent.McaCustomEvent(ddict)) def onMca(self, mca, nmca, filename=None, key=None, info=None): if DEBUG: print("onMca key = %s" % key) ddict = {'mca':mca, 'nmca':nmca, 'mcastep':self.mcaStep, 'filename':filename, 'key':key, 'info':info, 'outputdir':self._outputdir, 'useExistingFiles':self.useExistingFiles, 'roifit':self.roiFit, 'event':'onMca'} if QTVERSION < '4.0.0': self.postEvent(self.parent, McaCustomEvent.McaCustomEvent(ddict)) else: qt.QApplication.postEvent(self.parent, McaCustomEvent.McaCustomEvent(ddict)) if self.pleasePause:self.__pauseMethod() def onEnd(self): if DEBUG: print("onEnd") ddict = {'event':'onEnd', 'filestep':self.fileStep, 'mcastep':self.mcaStep, 'chunk':self.chunk, 'savedimages':self.savedImages} if QTVERSION < '4.0.0': self.postEvent(self.parent, McaCustomEvent.McaCustomEvent(ddict)) else: qt.QApplication.postEvent(self.parent, McaCustomEvent.McaCustomEvent(ddict)) if self.pleasePause: self.__pauseMethod() def __pauseMethod(self): if QTVERSION < '4.0.0': self.postEvent(self.parent, McaCustomEvent.McaCustomEvent({'event':'batchPaused'})) else: qt.QApplication.postEvent(self.parent, McaCustomEvent.McaCustomEvent({'event':'batchPaused'})) while(self.pleasePause): time.sleep(1) if QTVERSION < '4.0.0': self.postEvent(self.parent, McaCustomEvent.McaCustomEvent({'event':'batchResumed'})) else: qt.QApplication.postEvent(self.parent, McaCustomEvent.McaCustomEvent({'event':'batchResumed'})) class McaBatchWindow(qt.QWidget): def __init__(self,parent=None, name="BatchWindow", fl=0, actions = 0, outputdir=None, html=0, htmlindex = None, table=2, chunk=None, exitonend=False): if QTVERSION < '4.0.0': qt.QWidget.__init__(self, parent, name, fl) self.setCaption(name) else: qt.QWidget.__init__(self, parent) self.setWindowTitle(name) self.chunk = chunk self.exitonend = exitonend self.l = qt.QVBoxLayout(self) #self.l.setAutoAdd(1) self.bars =qt.QWidget(self) self.l.addWidget(self.bars) if QTVERSION < '4.0.0': self.barsLayout = qt.QGridLayout(self.bars,2,3) else: self.barsLayout = qt.QGridLayout(self.bars) self.barsLayout.setContentsMargins(2, 2, 2, 2) self.barsLayout.setSpacing(3) self.progressBar = qt.QProgressBar(self.bars) self.progressLabel = qt.QLabel(self.bars) self.progressLabel.setText('File Progress:') self.imageBar = qt.QProgressBar(self.bars) self.imageLabel = qt.QLabel(self.bars) self.imageLabel.setText('Image in File:') self.mcaBar = qt.QProgressBar(self.bars) self.mcaLabel = qt.QLabel(self.bars) self.mcaLabel.setText('MCA in Image:') self.barsLayout.addWidget(self.progressLabel,0,0) self.barsLayout.addWidget(self.progressBar,0,1) self.barsLayout.addWidget(self.imageLabel,1,0) self.barsLayout.addWidget(self.imageBar,1,1) self.barsLayout.addWidget(self.mcaLabel,2,0) self.barsLayout.addWidget(self.mcaBar,2,1) self.status = qt.QLabel(self) self.status.setText(" ") self.timeLeft = qt.QLabel(self) self.l.addWidget(self.status) self.l.addWidget(self.timeLeft) self.timeLeft.setText("Estimated time left = ???? min") self.time0 = None self.html = html if htmlindex is None:htmlindex="index.html" self.htmlindex = htmlindex self.outputdir = outputdir self.table = table self.__ended = False self.__writingReport = False if actions: self.addButtons() self.show() if QTVERSION < '4.0.0': self.raiseW() else: self.raise_() def addButtons(self): self.actions = 1 self.buttonsBox = qt.QWidget(self) l = qt.QHBoxLayout(self.buttonsBox) l.addWidget(qt.HorizontalSpacer(self.buttonsBox)) self.pauseButton = qt.QPushButton(self.buttonsBox) l.addWidget(self.pauseButton) l.addWidget(qt.HorizontalSpacer(self.buttonsBox)) self.pauseButton.setText("Pause") self.abortButton = qt.QPushButton(self.buttonsBox) l.addWidget(self.abortButton) l.addWidget(qt.HorizontalSpacer(self.buttonsBox)) self.abortButton.setText("Abort") self.l.addWidget(self.buttonsBox) self.update() def customEvent(self,event): if event.dict['event'] == 'onNewFile':self.onNewFile(event.dict['file'], event.dict['filelist'], event.dict['filestep'], event.dict['filebeginoffset'], event.dict['fileendoffset']) elif event.dict['event'] == 'onImage': self.onImage (event.dict['key'], event.dict['keylist']) elif event.dict['event'] == 'onMca': self.onMca (event.dict) #event.dict['mca'], #event.dict['nmca'], #event.dict['mcastep'], #event.dict['filename'], #event.dict['key']) elif event.dict['event'] == 'onEnd': self.onEnd(event.dict) elif event.dict['event'] == 'batchPaused': self.onPause() elif event.dict['event'] == 'batchResumed':self.onResume() elif event.dict['event'] == 'reportWritten':self.onReportWritten() else: print("Unhandled event %s" % event) def onNewFile(self, file, filelist, filestep, filebeginoffset =0, fileendoffset = 0): if DEBUG: print("onNewFile: %s" % file) indexlist = list(range(0,len(filelist),filestep)) index = indexlist.index(filelist.index(file)) - filebeginoffset #print index + filebeginoffset if index == 0: self.report= None if self.html: self.htmlindex = os.path.join(self.outputdir, 'HTML') htmlindex = os.path.join(os.path.basename(file)+"_HTMLDIR", "index.html") self.htmlindex = os.path.join(self.htmlindex,htmlindex) if os.path.exists(self.htmlindex): try: os.remove(self.htmlindex) except: print("cannot delete file %s" % self.htmlindex) nfiles = len(indexlist)-filebeginoffset-fileendoffset self.status.setText("Processing file %s" % file) e = time.time() if QTVERSION < '4.0.0': self.progressBar.setTotalSteps(nfiles) self.progressBar.setProgress(index) else: self.progressBar.setMaximum(nfiles) self.progressBar.setValue(index) if self.time0 is not None: t = (e - self.time0) * (nfiles - index) self.time0 =e if t < 120: self.timeLeft.setText("Estimated time left = %d sec" % (t)) else: self.timeLeft.setText("Estimated time left = %d min" % (int(t / 60.))) else: self.time0 = e if sys.platform == 'darwin': qApp = qt.QApplication.instance() qApp.processEvents() def onImage(self,key,keylist): if DEBUG: print("onImage %s" % key) i = keylist.index(key) + 1 n = len(keylist) if QTVERSION < '4.0.0': self.imageBar.setTotalSteps(n) self.imageBar.setProgress(i) self.mcaBar.setTotalSteps(1) self.mcaBar.setProgress(0) else: self.imageBar.setMaximum(n) self.imageBar.setValue(i) self.mcaBar.setMaximum(1) self.mcaBar.setValue(0) #def onMca(self, mca, nmca, mcastep): def onMca(self, ddict): if DEBUG: print("onMca ", ddict['mca']) mca = ddict['mca'] nmca = ddict['nmca'] mcastep = ddict['mcastep'] filename = ddict['filename'] key = ddict['key'] info = ddict['info'] outputdir = ddict['outputdir'] useExistingFiles = ddict['useExistingFiles'] self.roiFit = ddict['roifit'] if self.html: try: if not self.roiFit: if mca == 0: self.__htmlReport(filename, key, outputdir, useExistingFiles, info, firstmca = True) else: self.__htmlReport(filename, key, outputdir, useExistingFiles, info, firstmca = False) except: print("ERROR on REPORT",sys.exc_info()) print(sys.exc_info()[1]) print("filename = %s key =%s " % (filename, key)) print("If your batch is stopped, please report this") print("error sending the above mentioned file and the") print("associated fit configuration file.") if QTVERSION < '4.0.0': self.mcaBar.setTotalSteps(nmca) self.mcaBar.setProgress(mca) else: self.mcaBar.setMaximum(nmca) self.mcaBar.setValue(mca) if sys.platform == 'darwin': qApp = qt.QApplication.instance() qApp.processEvents() def __htmlReport(self, filename, key, outputdir, useExistingFiles, info=None, firstmca = True): """ file=self.file fileinfo = file.GetSourceInfo() nimages = nscans = len(fileinfo['KeyList']) filename = os.path.basename(info['SourceName']) """ fitdir = os.path.join(outputdir,"HTML") if not os.path.exists(fitdir): try: os.mkdir(fitdir) except: print("I could not create directory %s" % fitdir) return fitdir = os.path.join(fitdir,filename+"_HTMLDIR") if not os.path.exists(fitdir): try: os.mkdir(fitdir) except: print("I could not create directory %s" % fitdir) return localindex = os.path.join(fitdir, "index.html") if not os.path.isdir(fitdir): print("%s does not seem to be a valid directory" % fitdir) else: outfile = filename +"_"+key+".html" outfile = os.path.join(fitdir, outfile) useExistingResult = useExistingFiles if os.path.exists(outfile): if not useExistingFiles: try: os.remove(outfile) except: print("cannot delete file %s" % outfile) useExistingResult = 0 else: useExistingResult = 0 outdir = fitdir fitdir = os.path.join(outputdir,"FIT") fitdir = os.path.join(fitdir,filename+"_FITDIR") fitfile= os.path.join(fitdir, filename +"_"+key+".fit") if not os.path.exists(fitfile): print("fit file %s does not exists!" % fitfile) return if self.report is None: #first file self.forcereport = 0 self._concentrationsFile = os.path.join(outputdir, self._rootname + "_concentrations.txt") if os.path.exists(self._concentrationsFile): """ #code removed, concentrations in McaAdvancedFitBatch.py try: os.remove(self._concentrationsFile) except: pass """ pass else: #this is to generate the concentrations file #from an already existing set of fitfiles self.forcereport = 1 if self.forcereport or (not useExistingResult): self.report = QtMcaAdvancedFitReport.QtMcaAdvancedFitReport(fitfile = fitfile, outfile = outfile, table = self.table) self.__writingReport = True a=self.report.writeReport() """ #The code below has been moved to McaAdvancedFitBatch.py if len(self.report._concentrationsTextASCII) > 1: text = "" text += "SOURCE: "+ filename +"\n" text += "KEY: "+key+"\n" text += self.report._concentrationsTextASCII + "\n" f=open(self._concentrationsFile,"a") f.write(text) f.close() """ self.__writingReport = False #qt.QApplication.postEvent(self, McaCustomEvent.McaCustomEvent({'event':'reportWritten'})) self.onReportWritten() def onEnd(self,dict): self.__ended = True if QTVERSION < '4.0.0': n = self.progressBar.progress() self.progressBar.setProgress(n+dict['filestep']) n = self.mcaBar.progress() self.mcaBar.setProgress(n+dict['mcastep']) else: n = self.progressBar.value() self.progressBar.setValue(n+dict['filestep']) n = self.mcaBar.value() self.mcaBar.setValue(n+dict['mcastep']) self.status.setText ("Batch Finished") self.timeLeft.setText("Estimated time left = 0 sec") if self.actions: self.pauseButton.hide() self.abortButton.setText("OK") if self.chunk is None: if 'savedimages' in dict: self.plotImages(dict['savedimages']) if self.html: if not self.__writingReport: directory = os.path.join(self.outputdir,"HTML") a = HtmlIndex.HtmlIndex(directory) a.buildRecursiveIndex() if dict['chunk'] is not None: if 0: #this was giving troubles using HDF5 files as input sys.exit(0) else: #this seems to work properly self.close() if self.exitonend: app = qt.QApplication.instance() app.quit() def onReportWritten(self): if self.__ended: directory = os.path.join(self.outputdir,"HTML") a = HtmlIndex.HtmlIndex(directory) a.buildRecursiveIndex() def onPause(self): pass def onResume(self): pass def plotImages(self,imagelist): if (sys.platform == 'win32') or (sys.platform == 'darwin'): self.__viewer = EdfFileSimpleViewer.EdfFileSimpleViewer() self.__viewer.setFileList(imagelist) self.__viewer.show() else: filelist = " " for ffile in imagelist: filelist+=" %s" % ffile try: dirname = os.path.dirname(__file__) frozen = False except: frozen = True dirname = os.path.dirname(EdfFileSimpleViewer.__file__) if not frozen: if sys.executable in ["PyMcaMain", "PyMcaMain.exe", "PyMcaBatch", "PyMcaBatch.exe"]: frozen = True if DEBUG: print("final dirname = %s" % dirname) if frozen: # we are at level PyMca5\PyMcaGui\pymca dirname = os.path.dirname(dirname) # level PyMcaGui dirname = os.path.dirname(dirname) # level PyMca5 dirname = os.path.dirname(dirname) # directory level with exe files myself = os.path.join(dirname, "EdfFileSimpleViewer") else: myself = sys.executable+" "+os.path.join(dirname, "EdfFileSimpleViewer.py") cmd = "%s %s &" % (myself, filelist) if DEBUG: print("cmd = %s" % cmd) os.system(cmd) def main(): sys.excepthook = qt.exceptionHandler import getopt options = 'f' longoptions = ['cfg=','outdir=','roifit=','roi=','roiwidth=', 'overwrite=', 'filestep=', 'mcastep=', 'html=','htmlindex=', 'listfile=','cfglistfile=', 'concentrations=', 'table=', 'fitfiles=', 'filebeginoffset=','fileendoffset=','mcaoffset=', 'chunk=', 'nativefiledialogs=','selection=', 'exitonend='] filelist = None outdir = None cfg = None listfile = None cfglistfile = None selection = False roifit = 0 roiwidth = ROIWIDTH overwrite= 1 filestep = 1 html = 0 htmlindex= None mcastep = 1 table = 2 fitfiles = 1 concentrations = 0 filebeginoffset = 0 fileendoffset = 0 mcaoffset = 0 chunk = None exitonend = False opts, args = getopt.getopt( sys.argv[1:], options, longoptions) for opt,arg in opts: if opt in ('--cfg'): cfg = arg elif opt in ('--outdir'): outdir = arg elif opt in ('--roi','--roifit'): roifit = int(arg) elif opt in ('--roiwidth'): roiwidth = float(arg) elif opt in ('--overwrite'): overwrite= int(arg) elif opt in ('--filestep'): filestep = int(arg) elif opt in ('--mcastep'): mcastep = int(arg) elif opt in ('--html'): html = int(arg) elif opt in ('--htmlindex'): htmlindex = arg elif opt in ('--listfile'): listfile = arg elif opt in ('--cfglistfile'): cfglistfile = arg elif opt in ('--concentrations'): concentrations = int(arg) elif opt in ('--table'): table = int(arg) elif opt in ('--fitfiles'): fitfiles = int(arg) elif opt in ('--filebeginoffset'): filebeginoffset = int(arg) elif opt in ('--fileendoffset'): fileendoffset = int(arg) elif opt in ('--mcaoffset'): mcaoffset = int(arg) elif opt in ('--chunk'): chunk = int(arg) elif opt in ('--selection'): selection = int(arg) if selection: selection = True else: selection = False elif opt in ('--nativefiledialogs'): if int(arg): PyMcaDirs.nativeFileDialogs = True else: PyMcaDirs.nativeFileDialogs = False elif opt in ('--exitonend'): exitonend = int(arg) if listfile is None: filelist=[] for item in args: filelist.append(item) selection = None else: if selection: tmpDict = ConfigDict.ConfigDict() tmpDict.read(listfile) tmpDict = tmpDict['PyMcaBatch'] filelist = tmpDict['filelist'] if type(filelist) == type(""): filelist = [filelist] selection = tmpDict['selection'] else: fd = open(listfile, 'rb') filelist = fd.readlines() fd.close() for i in range(len(filelist)): filelist[i]=filelist[i].decode(sys.getfilesystemencoding()).replace('\n','') selection = None if cfglistfile is not None: fd = open(cfglistfile, 'rb') cfg = fd.readlines() fd.close() for i in range(len(cfg)): cfg[i]=cfg[i].decode(sys.getfilesystemencoding()).replace('\n','') app=qt.QApplication(sys.argv) winpalette = qt.QPalette(qt.QColor(230,240,249),qt.QColor(238,234,238)) app.setPalette(winpalette) if len(filelist) == 0: app.lastWindowClosed.connect(app.quit) w = McaBatchGUI(actions=1) w.show() w.raise_() app.exec_() else: app.lastWindowClosed.connect(app.quit) text = "Batch from %s to %s" % (os.path.basename(filelist[0]), os.path.basename(filelist[-1])) window = McaBatchWindow(name=text,actions=1, outputdir=outdir,html=html, htmlindex=htmlindex, table=table, chunk=chunk, exitonend=exitonend) if html:fitfiles=1 try: b = McaBatch(window,cfg,filelist,outdir,roifit=roifit,roiwidth=roiwidth, overwrite = overwrite, filestep=filestep, mcastep=mcastep, concentrations=concentrations, fitfiles=fitfiles, filebeginoffset=filebeginoffset,fileendoffset=fileendoffset, mcaoffset=mcaoffset, chunk=chunk, selection=selection) except: if exitonend: print("Error: " % sys.exc_info()[1]) print("Quitting as requested") qt.QApplication.instance().quit() else: msg = qt.QMessageBox() msg.setIcon(qt.QMessageBox.Critical) msg.setText("%s" % sys.exc_info()[1]) msg.exec_() return def cleanup(): b.pleasePause = 0 b.pleaseBreak = 1 b.wait() qApp = qt.QApplication.instance() qApp.processEvents() def pause(): if b.pleasePause: b.pleasePause=0 window.pauseButton.setText("Pause") else: b.pleasePause=1 window.pauseButton.setText("Continue") window.pauseButton.clicked.connect(pause) window.abortButton.clicked.connect(window.close) app.aboutToQuit[()].connect(cleanup) window._rootname = "%s"% b._rootname window.show() b.start() app.exec_() if __name__ == "__main__": main() # PyMcaBatch.py --cfg=/mntdirect/_bliss/users/sole/COTTE/WithLead.cfg --outdir=/tmp/ /mntdirect/_bliss/users/sole/COTTE/ch09/ch09__mca_0003_0000_0007.edf /mntdirect/_bliss/users/sole/COTTE/ch09/ch09__mca_0003_0000_0008.edf /mntdirect/_bliss/users/sole/COTTE/ch09/ch09__mca_0003_0000_0009.edf /mntdirect/_bliss/users/sole/COTTE/ch09/ch09__mca_0003_0000_0010.edf /mntdirect/_bliss/users/sole/COTTE/ch09/ch09__mca_0003_0000_0011.edf /mntdirect/_bliss/users/sole/COTTE/ch09/ch09__mca_0003_0000_0012.edf /mntdirect/_bliss/users/sole/COTTE/ch09/ch09__mca_0003_0000_0013.edf & # PyMcaBatch.exe --cfg=E:/COTTE/WithLead.cfg --outdir=C:/tmp/ E:/COTTE/ch09/ch09__mca_0003_0000_0007.edf E:/COTTE/ch09/ch09__mca_0003_0000_0008.edf PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/PyMcaHKLImageWindow.py0000644000276300001750000002427013136054446022700 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2017 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import numpy from . import PyMcaImageWindow from PyMca5.PyMcaPhysics import SixCircle arctan = numpy.arctan DEBUG = 0 class PyMcaHKLImageWindow(PyMcaImageWindow.PyMcaImageWindow): def __init__(self, *var, **kw): PyMcaImageWindow.PyMcaImageWindow.__init__(self, *var, **kw) self._HKLOn = True def _graphSignal(self, ddict): if (ddict['event'] not in ["MouseAt", "mouseClicked"]) or \ (not self._HKLOn): return PyMcaImageWindow.PyMcaImageWindow._graphSignal(self, ddict) if self._imageData is None: self.graphWidget.setInfoText(" H = ???? K = ???? L = ???? I = ????") return #pixel coordinates if ddict['y'] < 0: x = int(ddict['y'] - 0.5) else: x = int(ddict['y'] + 0.5) if x < 0: x = 0 if ddict['x'] < 0: y = int(ddict['x'] - 0.5) else: y = int(ddict['x'] + 0.5) if y < 0: y = 0 limits = self._imageData.shape x = min(int(x), limits[0]-1) y = min(int(y), limits[1]-1) z = self._imageData[x, y] text = " X = %d Y = %d Z = %.7g " % (y, x, z) info = self._getHKLInfoFromWidget() toDeg = 180.0/numpy.pi phi = info['phi'] chi = info['chi'] theta = info['theta'] if 0: # delta in vertical (following BM28) # gamma in horizontal (following BM28) deltaH = toDeg * numpy.arctan((x - info['pixel_zero_h']) *\ (info['pixel_size_h']/info['distance'])) deltaV = toDeg *arctan((y - info['pixel_zero_v'])*\ (info['pixel_size_v']/info['distance'])) if 0: #original gamma = info['gamma'] + deltaH delta = info['delta'] - deltaV else: #MarCCD settings gamma = info['gamma'] - deltaV delta = info['delta'] - deltaH #end of BM28 customization else: #ID03 deltaH = toDeg * numpy.arctan((x - info['pixel_zero_v']) *\ (info['pixel_size_v']/info['distance'])) deltaV = toDeg *arctan((y - info['pixel_zero_h'])*\ (info['pixel_size_h']/info['distance'])) #delta in horizontal #gamma in vertical gamma = info['gamma'] - deltaH delta = info['delta'] - deltaV if 0: #ID03 test for EH1 wavelength = 1.03321027 ub = [1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0] ub[0] = 0.060082400000000001 ub[1] = 0.054556500000000001 ub[2] = -0.92985700000000004 ub[3] = -1.5089399999999999 ub[4] = -2.61991 ub[5] = -0.0203886 ub[6] = -2.1539600000000001 ub[7] = 0.230518 ub[8] = -0.011654299999999999 delta, theta, chi, phi, mu, gamma = 44.0035, -92.968, 90.715,\ 1.26, 0.3, 0.578 print(" Expected value = ", 1, 1, 0.1) mu = info['mu'] wavelength = info['lambda'] ub = info['ub'] if 0: #This should always give 1 1 1 wavelength = 0.363504 ub = [1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0] ub[0] = -4.080 ub[1] = 0.000 ub[2] = 0.000 ub[3] = 0.000 ub[4] = 4.080 ub[5] = 0.000 ub[6] = 0.000 ub[7] = 0.000 ub[8] = -4.080 delta, theta, chi, phi, mu, gamma = 23.5910, 47.0595, -135.,\ 0.0, 0.0, 0.0 HKL = SixCircle.getHKL(wavelength, ub, phi=phi, chi=chi, theta=theta, gamma=gamma, delta=delta, mu=mu) HKL.shape = -1 text += "H = %.3f " % HKL[0] text += "K = %.3f " % HKL[1] text += "L = %.3f " % HKL[2] self.graphWidget.setInfoText(text) def _getHKLInfoFromWidget(self): ddict = {} ddict['lambda'] = 1.0 # In Angstroms ddict['distance'] = 1000. # Same units as pixel size ddict['pixel_size_h'] = 0.080 # Same units as distance ddict['pixel_size_v'] = 0.080 # Same units as distance ddict['pixel_zero_h'] = 1024. # In pixel units (float) ddict['pixel_zero_v'] = 1024. # In pixel units (float) ddict['orientation'] = 0 ddict['ub'] = [1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0] ddict['phi'] = 0.0 ddict['chi'] = 0.0 ddict['theta'] = 0.0 ddict['gamma'] = 0.0 ddict['delta'] = 0.0 ddict['mu'] = 0.0 legend = self.dataObjectsList[0] dataObject = self.dataObjectsDict[legend] info = dataObject.info #try to get the information from the motors motPos = info.get('motor_pos', "") motMne = info.get('motor_mne', "") motPos = motPos.split() motMne = motMne.split() if len(motPos) == len(motMne): idx = -1 for mne in motMne: idx += 1 if mne.upper() in ['ENERGY', 'NRJ']: energy = float(motPos[idx]) ddict['lambda'] = 12.39842 / energy continue if mne in ['phi', 'chi', 'mu']: ddict[mne] = float(motPos[idx]) continue if mne in ['th', 'theta']: ddict['theta'] = float(motPos[idx]) continue if mne in ['del', 'delta', 'tth', 'twotheta']: ddict['delta'] = float(motPos[idx]) continue if mne in ['gam', 'gamma']: ddict['gamma'] = float(motPos[idx]) continue #and update it from the counters cntPos = info.get('counter_pos', "").split() cntMne = info.get('counter_mne', "").split() cntInfo = {} if len(cntPos) == len(cntMne): for i in range(len(cntMne)): cntInfo[cntMne[i]] = cntPos[i] for key in cntInfo.keys(): # diffractometer if key in ['phicnt']: ddict['phi'] = float(cntInfo[key]) continue if key in ['chicnt']: ddict['chi'] = float(cntInfo[key]) continue if key in ['thcnt', 'thetacnt']: ddict['theta'] = float(cntInfo[key]) continue if key in ['tthcnt'] and ('delcnt' not in cntInfo.keys()): #Avoid ID03 trap because they have delcnt and tthcnt ... ddict['delta'] = float(cntInfo[key]) continue if key in ['delcnt', 'deltacnt']: ddict['delta'] = float(cntInfo[key]) continue if key in ['gamcnt', 'gammacnt']: ddict['gamma'] = float(cntInfo[key]) continue if key in ['mucnt']: ddict['mu'] = float(cntInfo[key]) continue for key in info.keys(): # UB matrix if key.upper() in ['UB_POS']: ddict['ub'] = [float(x) for x in info[key].split()] continue # direct beam if key in ['beam_x', 'pixel_zero_x']: ddict['pixel_zero_h'] = float(info[key]) continue if key in ['beam_y', 'pixel_zero_y']: ddict['pixel_zero_v'] = float(info[key]) continue #sample to direct beam distance if key in ['detector_distance', 'd_sample_det']: ddict['distance'] = float(info[key]) continue #pixel sizes if key in ['pixel_size_x']: ddict['pixel_size_h'] = float(info[key]) continue if key in ['pixel_size_y']: ddict['pixel_size_v'] = float(info[key]) continue #wave length if key in ['source_wavelength']: ddict['lambda'] = float(info[key]) continue if DEBUG: for key in ddict.keys(): print(key, ddict[key]) return ddict PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/PyMcaMain.py0000644000276300001750000021505313173367502021015 0ustar solebliss00000000000000#!/usr/bin/env python #/*########################################################################## # Copyright (C) 2004-2017 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys, getopt import traceback if sys.platform == 'win32': import ctypes from ctypes.wintypes import MAX_PATH nativeFileDialogs = None DEBUG = 0 backend=None if __name__ == '__main__': options = '-f' longoptions = ['spec=', 'shm=', 'debug=', 'qt=', 'backend=', 'nativefiledialogs=', 'PySide='] try: opts, args = getopt.getopt( sys.argv[1:], options, longoptions) except getopt.error: print(sys.exc_info()[1]) sys.exit(1) keywords={} debugreport = 0 qtversion = '4' for opt, arg in opts: if opt in ('--spec'): keywords['spec'] = arg elif opt in ('--shm'): keywords['shm'] = arg elif opt in ('--debug'): debugreport = 1 DEBUG = 1 elif opt in ('-f'): keywords['fresh'] = 1 elif opt in ('--qt'): qtversion = arg elif opt in ('--backend'): backend = arg elif opt in ('--nativefiledialogs'): if int(arg): nativeFileDialogs = True else: nativeFileDialogs = False elif opt in ('--PySide'): import PySide if qtversion == '3': raise NotImplementedError("Qt3 is not longer supported") from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaGui.pymca import PyMcaMdi IconDict = PyMcaMdi.IconDict if hasattr(qt, "QString"): QString = qt.QString else: QString = qt.safe_str QTVERSION = qt.qVersion() try: from PyMca5.PyMcaGui.physics.xrf import XRFMCPyMca XRFMC_FLAG = True except: XRFMC_FLAG = False try: from PyMca5.PyMcaGui.pymca import SumRulesTool SUMRULES_FLAG = True except: SUMRULES_FLAG = False import PyMca5 from PyMca5.PyMcaGui.pymca.PyMca_help import HelpDict from PyMca5 import PyMcaDataDir import os __version__ = PyMca5.version() if __name__ == "__main__": sys.excepthook = qt.exceptionHandler app = qt.QApplication(sys.argv) strlist = qt.QStyleFactory.keys() if sys.platform == "win32": for item in strlist: text = str(item) if text == "WindowsXP": style = qt.QStyleFactory.create(item) app.setStyle(style) break if sys.platform not in ["win32", "darwin"]: # some themes of Ubuntu 16.04 give black tool tips on black background app.setStyleSheet("QToolTip { color: #000000; background-color: #fff0cd; border: 1px solid black; }") # TODO why this strange test if 1 or QTVERSION < '4.0.0': winpalette = qt.QPalette(qt.QColor(230,240,249),qt.QColor(238,234,238)) app.setPalette(winpalette) else: palette = app.palette() role = qt.QPalette.Window #this is the background palette.setColor(role, qt.QColor(238,234,238)) app.setPalette(palette) mpath = PyMcaDataDir.PYMCA_DATA_DIR if mpath[-3:] == "exe": mpath = os.path.dirname(mpath) fname = os.path.join(mpath,'PyMcaSplashImage.png') if not os.path.exists(fname): while len(mpath) > 3: fname = os.path.join(mpath,'PyMcaSplashImage.png') if not os.path.exists(fname): mpath = os.path.dirname(mpath) else: break if os.path.exists(fname): pixmap = qt.QPixmap(QString(fname)) splash = qt.QSplashScreen(pixmap) else: splash = qt.QSplashScreen() splash.show() splash.raise_() from PyMca5.PyMcaGui.pymca import ChangeLog font = splash.font() font.setBold(1) splash.setFont(font) splash.showMessage( 'PyMca %s' % __version__, qt.Qt.AlignLeft|qt.Qt.AlignBottom, qt.Qt.white) if sys.platform == "darwin": qApp = qt.QApplication.instance() qApp.processEvents() from PyMca5.PyMcaGraph.Plot import Plot from PyMca5.PyMcaGui.pymca import ScanWindow from PyMca5.PyMcaGui.pymca import McaWindow from PyMca5.PyMcaGui.pymca import PyMcaImageWindow from PyMca5.PyMcaGui.pymca import PyMcaHKLImageWindow try: #This is to make sure it is properly frozen #and that Object3D is fully supported import OpenGL.GL #import Object3D.SceneGLWindow as SceneGLWindow import PyMca5.PyMcaGui.pymca.PyMcaGLWindow as SceneGLWindow OBJECT3D = False if ("PyQt4.QtOpenGL" in sys.modules) or \ ("PySide.QtOpenGL") in sys.modules or \ ("PyQt5.QtOpenGL") in sys.modules: OBJECT3D = True except: OBJECT3D = False from PyMca5.PyMcaGui.pymca import QDispatcher from PyMca5.PyMcaGui import ElementsInfo from PyMca5.PyMcaGui import PeakIdentifier from PyMca5.PyMcaGui.pymca import PyMcaBatch ###########import Fit2Spec from PyMca5.PyMcaGui.pymca import Mca2Edf try: from PyMca5.PyMcaGui.pymca import QStackWidget from PyMca5.PyMcaGui.pymca import StackSelector STACK = True except: STACK = False from PyMca5.PyMcaGui.pymca import PyMcaPostBatch from PyMca5.PyMcaGui import RGBCorrelator from PyMca5.PyMcaGui import MaterialEditor from PyMca5.PyMcaIO import ConfigDict from PyMca5 import PyMcaDirs XIA_CORRECT = False if QTVERSION > '4.3.0': try: from PyMca5.PyMcaCore import XiaCorrect XIA_CORRECT = True except: pass SOURCESLIST = QDispatcher.QDataSource.source_types.keys() class PyMcaMain(PyMcaMdi.PyMcaMdi): def __init__(self, parent=None, name="PyMca", fl=None,**kw): if fl is None: fl = qt.Qt.WA_DeleteOnClose PyMcaMdi.PyMcaMdi.__init__(self, parent, name, fl) maxheight = qt.QDesktopWidget().height() if maxheight < 799: self.setMinimumHeight(int(0.8*maxheight)) self.setMaximumHeight(int(0.9*maxheight)) self.setWindowTitle(name) self.setWindowIcon(qt.QIcon(qt.QPixmap(IconDict['gioconda16']))) self.changeLog = None self._widgetDict = {} self.initSourceBrowser() self.initSource() self.elementsInfo= None self.attenuationTool = None self.identifier = None self.__batch = None self.__mca2Edf = None self.__fit2Spec = None self.__correlator = None self.__imagingTool = None self._xrfmcTool = None self._sumRulesTool = None self.openMenu = qt.QMenu() self.openMenu.addAction("PyMca Configuration", self.openSource) self.openMenu.addAction("Data Source", self.sourceWidget.sourceSelector._openFileSlot) self.openMenu.addAction("Load Training Data", self.loadTrainingData) self.__useTabWidget = True if not self.__useTabWidget: self.mcaWindow = McaWindow.McaWidget(self.mdi) self.scanWindow = ScanWindow.ScanWindow(self.mdi) self.imageWindowDict = None self.connectDispatcher(self.mcaWindow, self.sourceWidget) self.connectDispatcher(self.scanWindow, self.sourceWidget) self.mdi.addWindow(self.mcaWindow) self.mdi.addWindow(self.scanWindow) else: if backend is not None: Plot.defaultBackend = backend self.mainTabWidget = qt.QTabWidget(self.mdi) self.mainTabWidget.setWindowTitle("Main Window") self.mcaWindow = McaWindow.McaWindow(backend=backend) self.scanWindow = ScanWindow.ScanWindow(info=True, backend=backend) self.scanWindow._togglePointsSignal() if OBJECT3D: self.glWindow = SceneGLWindow.SceneGLWindow() self.mainTabWidget.addTab(self.mcaWindow, "MCA") self.mainTabWidget.addTab(self.scanWindow, "SCAN") if OBJECT3D: self.mainTabWidget.addTab(self.glWindow, "OpenGL") if QTVERSION < '5.0.0': self.mdi.addWindow(self.mainTabWidget) else: self.mdi.addSubWindow(self.mainTabWidget) #print "Markus patch" #self.mainTabWidget.show() #print "end Markus patch" self.mainTabWidget.showMaximized() if False: self.connectDispatcher(self.mcaWindow, self.sourceWidget) self.connectDispatcher(self.scanWindow, self.sourceWidget) else: self.imageWindowDict = {} self.imageWindowCorrelator = None self.sourceWidget.sigAddSelection.connect( \ self.dispatcherAddSelectionSlot) self.sourceWidget.sigRemoveSelection.connect( \ self.dispatcherRemoveSelectionSlot) self.sourceWidget.sigReplaceSelection.connect( \ self.dispatcherReplaceSelectionSlot) self.mainTabWidget.currentChanged[int].connect( \ self.currentTabIndexChanged) self.sourceWidget.sigOtherSignals.connect( \ self.dispatcherOtherSignalsSlot) if 0: if 'shm' in kw: if len(kw['shm']) >= 8: if kw['shm'][0:8] in ['MCA_DATA', 'XIA_DATA']: self.mcaWindow.showMaximized() self.toggleSource() else: self.mcaWindow.showMaximized() currentConfigDict = ConfigDict.ConfigDict() try: defaultFileName = self.__getDefaultSettingsFile() self.configDir = os.path.dirname(defaultFileName) except: if not ('fresh' in kw): raise if not ('fresh' in kw): if os.path.exists(defaultFileName): currentConfigDict.read(defaultFileName) self.setConfig(currentConfigDict) if ('spec' in kw) and ('shm' in kw): if len(kw['shm']) >= 8: #if kw['shm'][0:8] in ['MCA_DATA', 'XIA_DATA']: if kw['shm'][0:8] in ['MCA_DATA']: #self.mcaWindow.showMaximized() self.toggleSource() self._startupSelection(source=kw['spec'], selection=kw['shm']) else: self._startupSelection(source=kw['spec'], selection=None) else: self._startupSelection(source=kw['spec'], selection=None) def connectDispatcher(self, viewer, dispatcher = None): #I could connect sourceWidget to myself and then #pass the selections to the active window!! #That will be made in a next iteration I guess if dispatcher is None: dispatcher = self.sourceWidget dispatcher.sigAddSelection.connect(viewer._addSelection) dispatcher.sigRemoveSelection.connect(viewer._removeSelection) dispatcher.sigReplaceSelection.connect(viewer._replaceSelection) def currentTabIndexChanged(self, index): legend = "%s" % self.mainTabWidget.tabText(index) for key in self.imageWindowDict.keys(): if key == legend: value = True else: value = False self.imageWindowDict[key].setPlotEnabled(value) def _is2DSelection(self, ddict): if 'imageselection' in ddict: if ddict['imageselection']: return True if 'selection' in ddict: if ddict['selection'] is None: return False if 'selectiontype' in ddict['selection']: if ddict['selection']['selectiontype'] == '2D': return True return False def _is3DSelection(self, ddict): if self._is2DSelection(ddict): return False if 'selection' in ddict: if ddict['selection'] is None: return False if 'selectiontype' in ddict['selection']: if ddict['selection']['selectiontype'] == '3D': return True if 'x' in ddict['selection']: if ddict['selection']['x'] is not None: if len(ddict['selection']['x']) > 1: return True return False def _isStackSelection(self, ddict): if self._is2DSelection(ddict): return False if self._is3DSelection(ddict): return False if 'selection' in ddict: if ddict['selection'] is None: return False if 'selectiontype' in ddict['selection']: if ddict['selection']['selectiontype'] == 'STACK': return True return False def dispatcherAddSelectionSlot(self, ddict): if self.__useTabWidget: if self.mainTabWidget.isHidden(): #make sure it is visible in case of being closed self.mainTabWidget.show() if DEBUG: self._dispatcherAddSelectionSlot(ddict) else: try: self._dispatcherAddSelectionSlot(ddict) except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Error: %s" % sys.exc_info()[1]) msg.setInformativeText(str(sys.exc_info()[1])) msg.setDetailedText(traceback.format_exc()) msg.exec_() def _dispatcherAddSelectionSlot(self, dictOrList): if DEBUG: print("self._dispatcherAddSelectionSlot(ddict), ddict = ", dictOrList) if type(dictOrList) == type([]): ddict = dictOrList[0] else: ddict = dictOrList toadd = False if self._is2DSelection(ddict): if DEBUG: print("2D selection") if self.imageWindowCorrelator is None: self.imageWindowCorrelator = RGBCorrelator.RGBCorrelator() #toadd = True title = "ImageWindow RGB Correlator" self.imageWindowCorrelator.setWindowTitle(title) legend = ddict['legend'] if legend not in self.imageWindowDict.keys(): hkl = False try: motor_mne = ddict['dataobject'].info['motor_mne'].split() if ('phi' in motor_mne) and ('chi' in motor_mne): if ('mu' in motor_mne) and ('gam' in motor_mne) : if 'del' in motor_mne: #SIXC hkl = True if ('tth' in motor_mne) and ('th' in motor_mne): #FOURC hkl = True except: pass if hkl: imageWindow = PyMcaHKLImageWindow.PyMcaHKLImageWindow(name = legend, correlator = self.imageWindowCorrelator, scanwindow=self.scanWindow) else: imageWindow = PyMcaImageWindow.PyMcaImageWindow(name = legend, correlator = self.imageWindowCorrelator, scanwindow=self.scanWindow) self.imageWindowDict[legend] = imageWindow imageWindow.sigAddImageClicked.connect( \ self.imageWindowCorrelator.addImageSlot) imageWindow.sigRemoveImageClicked.connect( \ self.imageWindowCorrelator.removeImageSlot) imageWindow.sigReplaceImageClicked.connect( \ self.imageWindowCorrelator.replaceImageSlot) self.mainTabWidget.addTab(imageWindow, legend) if toadd: self.mainTabWidget.addTab(self.imageWindowCorrelator, "RGB Correlator") self.imageWindowDict[legend].setPlotEnabled(False) self.imageWindowDict[legend]._addSelection(ddict) self.mainTabWidget.setCurrentWidget(imageWindow) #self.imageWindowDict[legend].setPlotEnabled(True) return if self.mainTabWidget.indexOf(self.imageWindowDict[legend]) < 0: self.mainTabWidget.addTab(self.imageWindowDict[legend], legend) self.imageWindowDict[legend].setPlotEnabled(False) self.imageWindowDict[legend]._addSelection(ddict) self.mainTabWidget.setCurrentWidget(self.imageWindowDict\ [legend]) else: self.imageWindowDict[legend]._addSelection(ddict) elif self._isStackSelection(ddict): if DEBUG: print("Stack selection") legend = ddict['legend'] widget = QStackWidget.QStackWidget() widget.notifyCloseEventToWidget(self) widget.setStack(ddict['dataobject']) widget.setWindowTitle(legend) widget.show() self._widgetDict[id(widget)] = widget else: if OBJECT3D: if ddict['dataobject'].info['selectiontype'] == "1D": if DEBUG: print("1D selection") self.mcaWindow._addSelection(dictOrList) self.scanWindow._addSelection(dictOrList) else: if DEBUG: print("3D selection") self.mainTabWidget.setCurrentWidget(self.glWindow) self.glWindow._addSelection(dictOrList) else: if DEBUG: print("1D selection") self.mcaWindow._addSelection(dictOrList) self.scanWindow._addSelection(dictOrList) def dispatcherRemoveSelectionSlot(self, ddict): try: return self._dispatcherRemoveSelectionSlot(ddict) except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Error: %s" % sys.exc_info()[1]) msg.exec_() def _dispatcherRemoveSelectionSlot(self, dictOrList): if DEBUG: print("self.dispatcherRemoveSelectionSlot(ddict), ddict = ",ddict) if type(dictOrList) == type([]): ddict = dictOrList[0] else: ddict = dictOrList if self._is2DSelection(ddict): legend = ddict['legend'] if legend in self.imageWindowDict.keys(): index = self.mainTabWidget.indexOf(self.imageWindowDict[legend]) if index >0: self.imageWindowDict[legend].close() self.imageWindowDict[legend].setParent(None) self.mainTabWidget.removeTab(index) self.imageWindowDict[legend]._removeSelection(ddict) del self.imageWindowDict[legend] elif self._is3DSelection(ddict): self.glWindow._removeSelection(dictOrList) else: self.mcaWindow._removeSelection(dictOrList) self.scanWindow._removeSelection(dictOrList) def dispatcherReplaceSelectionSlot(self, ddict): try: return self._dispatcherReplaceSelectionSlot(ddict) except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Error: %s" % sys.exc_info()[1]) msg.exec_() def _dispatcherReplaceSelectionSlot(self, dictOrList): if DEBUG: print("self.dispatcherReplaceSelectionSlot(ddict), ddict = ", dictOrList) if type(dictOrList) == type([]): ddict = dictOrList[0] else: ddict = dictOrList if self._is2DSelection(ddict): legend = ddict['legend'] for key in list(self.imageWindowDict.keys()): index = self.mainTabWidget.indexOf(self.imageWindowDict[key]) if key == legend: continue if index >= 0: self.imageWindowDict[key].close() self.imageWindowDict[key].setParent(None) self.mainTabWidget.removeTab(index) self.imageWindowDict[key]._removeSelection(ddict) del self.imageWindowDict[key] if legend in self.imageWindowDict.keys(): self.imageWindowDict[legend].setPlotEnabled(False) self.dispatcherAddSelectionSlot(ddict) index = self.mainTabWidget.indexOf(self.imageWindowDict[legend]) if index != self.mainTabWidget.currentIndex(): self.mainTabWidget.setCurrentWidget(self.imageWindowDict[legend]) if legend in self.imageWindowDict.keys(): # force an update self.imageWindowDict[legend].setPlotEnabled(True) self.imageWindowDict[legend].setPlotEnabled(False) elif self._is3DSelection(ddict): self.glWindow._replaceSelection(dictOrList) else: self.mcaWindow._replaceSelection(dictOrList) self.scanWindow._replaceSelection(dictOrList) def dispatcherOtherSignalsSlot(self, dictOrList): if DEBUG: print("self.dispatcherOtherSignalsSlot(ddict), ddict = ",dictOrList) if type(dictOrList) == type([]): ddict = dictOrList[0] else: ddict = dictOrList if not self.__useTabWidget: return if ddict['event'] == "SelectionTypeChanged": if ddict['SelectionType'].upper() == "COUNTERS": self.mainTabWidget.setCurrentWidget(self.scanWindow) return for i in range(self.mainTabWidget.count()): if str(self.mainTabWidget.tabText(i)) == \ ddict['SelectionType']: self.mainTabWidget.setCurrentIndex(i) return if ddict['event'] == "SourceTypeChanged": pass return if DEBUG: print("Unhandled dict") def setConfig(self, configDict): if 'PyMca' in configDict: self.__configurePyMca(configDict['PyMca']) if 'ROI' in configDict: self.__configureRoi(configDict['ROI']) if 'Elements' in configDict: self.__configureElements(configDict['Elements']) if 'Fit' in configDict: self.__configureFit(configDict['Fit']) if 'ScanSimpleFit' in configDict: self.__configureScanSimpleFit(configDict['ScanSimpleFit']) if 'ScanCustomFit' in configDict: self.__configureScanCustomFit(configDict['ScanCustomFit']) def getConfig(self): d = {} d['PyMca'] = {} d['PyMca']['VERSION'] = __version__ d['PyMca']['ConfigDir'] = self.configDir d['PyMca']['nativeFileDialogs'] = PyMcaDirs.nativeFileDialogs #geometry d['PyMca']['Geometry'] ={} r = self.geometry() d['PyMca']['Geometry']['MainWindow'] = [r.x(), r.y(), r.width(), r.height()] r = self.splitter.sizes() d['PyMca']['Geometry']['Splitter'] = r r = self.mcaWindow.geometry() d['PyMca']['Geometry']['McaWindow'] = [r.x(), r.y(), r.width(), r.height()] #sources d['PyMca']['Sources'] = {} d['PyMca']['Sources']['lastFileFilter'] = self.sourceWidget.sourceSelector.lastFileFilter for source in SOURCESLIST: d['PyMca'][source] = {} if (self.sourceWidget.sourceSelector.lastInputDir is not None) and \ len(self.sourceWidget.sourceSelector.lastInputDir): d['PyMca'][source]['lastInputDir'] = self.sourceWidget.sourceSelector.lastInputDir try: PyMcaDirs.inputDir = self.sourceWidget.sourceSelector.lastInputDir except ValueError: pass else: d['PyMca'][source]['lastInputDir'] = "None" if source == "SpecFile": d['PyMca'][source]['SourceName'] = [] for key in self.sourceWidget.sourceList: if key.sourceType == source: d['PyMca'][source]['SourceName'].append(key.sourceName) elif source == "EdfFile": d['PyMca'][source]['SourceName'] = [] for key in self.sourceWidget.sourceList: if key.sourceType == source: d['PyMca'][source]['SourceName'].append(key.sourceName) #if key == "EDF Stack": # d['PyMca'][source]['SourceName'].append(self.sourceWidget.selectorWidget[source]._edfstack) #else: # d['PyMca'][source]['SourceName'].append(self.sourceWidget.selectorWidget[source].mapComboName[key]) elif source == "HDF5": d['PyMca'][source]['SourceName'] = [] for key in self.sourceWidget.sourceList: if key.sourceType == source: d['PyMca'][source]['SourceName'].append(key.sourceName) selectorWidget = self.sourceWidget.selectorWidget[source] if hasattr(selectorWidget,'setWidgetConfiguration'): d['PyMca'][source]['WidgetConfiguration'] = selectorWidget.getWidgetConfiguration() #d['PyMca'][source]['Selection'] = self.sourceWidget[source].getSelection() # McaWindow calibrations d["PyMca"]["McaWindow"] = {} d["PyMca"]["McaWindow"]["calibrations"] = self.mcaWindow.getCalibrations() #ROIs d['ROI']={} if self.mcaWindow.roiWidget is None: roilist = [] roidict = {} else: roilist, roidict = self.mcaWindow.roiWidget.getROIListAndDict() d['ROI']['roilist'] = roilist d['ROI']['roidict'] = {} d['ROI']['roidict'].update(roidict) #fit related d['Elements'] = {} d['Elements']['Material'] = {} d['Elements']['Material'].update(ElementsInfo.Elements.Material) d['Fit'] = {} if self.mcaWindow.advancedfit.configDir is not None: d['Fit'] ['ConfigDir'] = self.mcaWindow.advancedfit.configDir * 1 d['Fit'] ['Configuration'] = {} d['Fit'] ['Configuration'].update(self.mcaWindow.advancedfit.mcafit.configure()) d['Fit'] ['Information'] = {} d['Fit'] ['Information'].update(self.mcaWindow.advancedfit.info) d['Fit'] ['LastFit'] = {} d['Fit'] ['LastFit']['hidden'] = self.mcaWindow.advancedfit.isHidden() d['Fit'] ['LastFit']['xdata0'] = self.mcaWindow.advancedfit.mcafit.xdata0 d['Fit'] ['LastFit']['ydata0'] = self.mcaWindow.advancedfit.mcafit.ydata0 d['Fit'] ['LastFit']['sigmay0']= self.mcaWindow.advancedfit.mcafit.sigmay0 d['Fit'] ['LastFit']['fitdone']= self.mcaWindow.advancedfit._fitdone() #d['Fit'] ['LastFit']['fitdone']= 1 #d['Fit'] ['LastFit']['xmin'] = self.mcaWindow.advancedfit.mcafit.sigma0 #d['Fit'] ['LastFit']['xmax'] = self.mcaWindow.advancedfit.mcafit.sigma0 #ScanFit related d['ScanSimpleFit'] = {} d['ScanSimpleFit']['Configuration'] = {} if DEBUG: d['ScanSimpleFit']['Configuration'].update(\ self.scanWindow.scanFit.getConfiguration()) else: try: d['ScanSimpleFit']['Configuration'].update(\ self.scanWindow.scanFit.getConfiguration()) except: print("Error getting ScanFint configuration") return d def saveConfig(self, config, filename = None): d = ConfigDict.ConfigDict() d.update(config) if filename is None: filename = self.__getDefaultSettingsFile() d.write(filename) def __configurePyMca(self, ddict): savedVersion = ddict.get("VERSION", '4.7.2') if 'ConfigDir' in ddict: self.configDir = ddict['ConfigDir'] if 'Geometry' in ddict: r = qt.QRect(*ddict['Geometry']['MainWindow']) self.setGeometry(r) key = 'Splitter' if key in ddict['Geometry'].keys(): self.splitter.setSizes(ddict['Geometry'][key]) if hasattr(self.mcaWindow, "graph"): # this was the way of working of 4.x.x versions key = 'McaWindow' if key in ddict['Geometry'].keys(): r = qt.QRect(*ddict['Geometry']['McaWindow']) self.mcaWindow.setGeometry(r) key = 'McaGraph' if key in ddict['Geometry'].keys(): r = qt.QRect(*ddict['Geometry']['McaGraph']) self.mcaWindow.graph.setGeometry(r) self.show() qApp = qt.QApplication.instance() qApp.processEvents() qApp.postEvent(self, qt.QResizeEvent(qt.QSize(ddict['Geometry']['MainWindow'][2]+1, ddict['Geometry']['MainWindow'][3]+1), qt.QSize(ddict['Geometry']['MainWindow'][2], ddict['Geometry']['MainWindow'][3]))) self.mcaWindow.showMaximized() native = ddict.get('nativeFileDialogs', True) if native in ["False", "0", 0]: native = False else: native = True PyMcaDirs.nativeFileDialogs = native if 'Sources' in ddict: if 'lastFileFilter' in ddict['Sources']: self.sourceWidget.sourceSelector.lastFileFilter = ddict['Sources']['lastFileFilter'] for source in SOURCESLIST: if source in ddict: if 'lastInputDir' in ddict[source]: if ddict[source] ['lastInputDir'] not in ["None", []]: self.sourceWidget.sourceSelector.lastInputDir = ddict[source] ['lastInputDir'] try: PyMcaDirs.inputDir = ddict[source] ['lastInputDir'] except ValueError: pass if 'SourceName' in ddict[source]: if type(ddict[source]['SourceName']) != type([]): ddict[source]['SourceName'] = [ddict[source]['SourceName'] * 1] for SourceName0 in ddict[source]['SourceName']: if type(SourceName0) == type([]): SourceName = SourceName0[0] else: SourceName = SourceName0 if len(SourceName): try: if not os.path.exists(SourceName): continue self.sourceWidget.sourceSelector.openFile(SourceName, justloaded =1) continue #This event is not needed ndict = {} ndict["event"] = "NewSourceSelected" ndict["sourcelist"] = [SourceName] self.sourceWidget._sourceSelectorSlot(ndict) continue if source == "EdfFile": self.sourceWidget.selectorWidget[source].openFile(SourceName, justloaded=1) else: self.sourceWidget.selectorWidget[source].openFile(SourceName) except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) txt = "Error: %s\n opening file %s" % (sys.exc_info()[1],SourceName ) msg.setInformativeText(txt) msg.setDetailedText(traceback.format_exc()) msg.exec_() if 'WidgetConfiguration' in ddict[source]: selectorWidget = self.sourceWidget.selectorWidget[source] if hasattr(selectorWidget,'setWidgetConfiguration'): try: selectorWidget.setWidgetConfiguration(ddict[source]['WidgetConfiguration']) except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) txt = "Error: %s\n configuring %s widget" % (sys.exc_info()[1], source ) msg.setInformativeText(txt) msg.setDetailedText(traceback.format_exc()) msg.exec_() if "McaWindow" in ddict: self.mcaWindow.setCalibrations(ddict["McaWindow"]["calibrations"]) def __configureRoi(self, ddict): if 'roidict' in ddict: if 'roilist' in ddict: roilist = ddict['roilist'] if type(roilist) != type([]): roilist=[roilist] roidict = ddict['roidict'] if self.mcaWindow.roiWidget is None: self.mcaWindow.showRoiWidget(qt.Qt.BottomDockWidgetArea) self.mcaWindow.roiWidget.fillFromROIDict(roilist=roilist, roidict=roidict) def __configureElements(self, ddict): if 'Material' in ddict: ElementsInfo.Elements.Material.update(ddict['Material']) def __configureFit(self, d): if 'Configuration' in d: self.mcaWindow.advancedfit.configure(d['Configuration']) if not self.mcaWindow.advancedfit.isHidden(): self.mcaWindow.advancedfit._updateTop() if 'ConfigDir' in d: self.mcaWindow.advancedfit.configDir = d['ConfigDir'] * 1 if False and ('LastFit' in d): if (d['LastFit']['ydata0'] != None) and \ (d['LastFit']['ydata0'] != 'None'): self.mcaWindow.advancedfit.setdata(x=d['LastFit']['xdata0'], y=d['LastFit']['ydata0'], sigmay=d['LastFit']['sigmay0'], **d['Information']) if d['LastFit']['hidden'] == 'False': self.mcaWindow.advancedfit.show() self.mcaWindow.advancedfit.raiseW() if d['LastFit']['fitdone']: try: self.mcaWindow.advancedfit.fit() except: pass else: print("hidden") def __configureFit(self, d): if 'Configuration' in d: self.mcaWindow.advancedfit.mcafit.configure(d['Configuration']) if not self.mcaWindow.advancedfit.isHidden(): self.mcaWindow.advancedfit._updateTop() if 'ConfigDir' in d: self.mcaWindow.advancedfit.configDir = d['ConfigDir'] * 1 if False and ('LastFit' in d): if (d['LastFit']['ydata0'] != None) and \ (d['LastFit']['ydata0'] != 'None'): self.mcaWindow.advancedfit.setdata(x=d['LastFit']['xdata0'], y=d['LastFit']['ydata0'], sigmay=d['LastFit']['sigmay0'], **d['Information']) if d['LastFit']['hidden'] == 'False': self.mcaWindow.advancedfit.show() self.mcaWindow.advancedfit.raiseW() if d['LastFit']['fitdone']: try: self.mcaWindow.advancedfit.fit() except: pass else: print("hidden") def __configureScanCustomFit(self, ddict): pass def __configureScanSimpleFit(self, ddict): if 'Configuration' in ddict: self.scanWindow.scanFit.setConfiguration(ddict['Configuration']) def initMenuBar(self): if self.options["MenuFile"]: #build the actions #fileopen self.actionOpen = qt.QAction(self) self.actionOpen.setText(QString("&Open")) self.actionOpen.setIcon(self.Icons["fileopen"]) self.actionOpen.setShortcut(qt.Qt.CTRL+qt.Qt.Key_O) self.actionOpen.triggered[bool].connect(self.onOpen) #filesaveas self.actionSaveAs = qt.QAction(self) self.actionSaveAs.setText(QString("&Save")) self.actionSaveAs.setIcon(self.Icons["filesave"]) self.actionSaveAs.setShortcut(qt.Qt.CTRL+qt.Qt.Key_S) self.actionSaveAs.triggered[bool].connect(self.onSaveAs) #filesave self.actionSave = qt.QAction(self) self.actionSave.setText(QString("Save &Default Settings")) #self.actionSave.setIcon(self.Icons["filesave"]) #self.actionSave.setShortcut(qt.Qt.CTRL+qt.Qt.Key_S) self.actionSave.triggered[bool].connect(self.onSave) #fileprint self.actionPrint = qt.QAction(self) self.actionPrint.setText(QString("&Print")) self.actionPrint.setIcon(self.Icons["fileprint"]) self.actionPrint.setShortcut(qt.Qt.CTRL+qt.Qt.Key_P) self.actionPrint.triggered[bool].connect(self.onPrint) #filequit self.actionQuit = qt.QAction(self) self.actionQuit.setText(QString("&Quit")) #self.actionQuit.setIcon(self.Icons["fileprint"]) self.actionQuit.setShortcut(qt.Qt.CTRL+qt.Qt.Key_Q) qApp = qt.QApplication.instance() self.actionQuit.triggered.connect(qApp.closeAllWindows) #self.menubar = qt.QMenuBar(self) self.menuFile= qt.QMenu(self.menuBar()) self.menuFile.addAction(self.actionOpen) self.menuFile.addAction(self.actionSaveAs) self.menuFile.addAction(self.actionSave) self.menuFile.addSeparator() self.menuFile.addAction(self.actionPrint) self.menuFile.addSeparator() self.menuFile.addAction(self.actionQuit) self.menuBar().addMenu(self.menuFile) self.menuFile.setTitle("&File") self.onInitMenuBar(self.menuBar()) if self.options["MenuTools"]: self.menuTools= qt.QMenu() #self.menuTools.setCheckable(1) self.menuTools.aboutToShow[()].connect(self.menuToolsAboutToShow) self.menuTools.setTitle("&Tools") self.menuBar().addMenu(self.menuTools) if self.options["MenuWindow"]: self.menuWindow= qt.QMenu() #self.menuWindow.setCheckable(1) self.menuWindow.aboutToShow[()].connect(self.menuWindowAboutToShow) self.menuWindow.setTitle("&Window") self.menuBar().addMenu(self.menuWindow) if self.options["MenuHelp"]: self.menuHelp= qt.QMenu(self) self.menuHelp.addAction("&Menu", self.onMenuHelp) self.menuHelp.addAction("&Data Display HOWTOs", self.onDisplayHowto) self.menuHelp.addAction("MCA &HOWTOs",self.onMcaHowto) self.menuHelp.addSeparator() self.menuHelp.addAction("&About", self.onAbout) self.menuHelp.addAction("Changes", self.onChanges) self.menuHelp.addAction("About &Qt",self.onAboutQt) self.menuBar().addSeparator() self.menuHelp.setTitle("&Help") self.menuBar().addMenu(self.menuHelp) self.menuBrowser = None self.displayBrowser = None self.mcaBrowser = None def initSourceBrowser(self): self.sourceFrame = qt.QWidget(self.splitter) self.splitter.insertWidget(0, self.sourceFrame) self.sourceFrame.setWindowTitle("Source Selector") self.sourceFrame.setWindowIcon(self.windowIcon()) #self.splitter.setResizeMode(self.sourceFrame,qt.QSplitter.KeepSize) self.sourceFrameLayout = qt.QVBoxLayout(self.sourceFrame) self.sourceFrameLayout.setContentsMargins(0, 0, 0, 0) self.sourceFrameLayout.setSpacing(0) #layout.setAutoAdd(1) sourceToolbar = qt.QWidget(self.sourceFrame) layout1 = qt.QHBoxLayout(sourceToolbar) #self.line1 = qt.QFrame(sourceToolbar,"line1") self.line1 = Line(sourceToolbar) self.line1.setFrameShape(qt.QFrame.HLine) self.line1.setFrameShadow(qt.QFrame.Sunken) self.line1.setFrameShape(qt.QFrame.HLine) layout1.addWidget(self.line1) #self.closelabel = qt.QLabel(sourceToolbar) self.closelabel = PixmapLabel(sourceToolbar) self.closelabel.setPixmap(qt.QPixmap(IconDict['close'])) layout1.addWidget(self.closelabel) self.closelabel.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Fixed, qt.QSizePolicy.Fixed)) #self.sourceBrowserTab=qt.QTabWidget(self.sourceFrame) self.sourceFrameLayout.addWidget(sourceToolbar) #connections self.line1.sigLineDoubleClickEvent.connect(self.sourceReparent) self.closelabel.sigPixmapLabelMousePressEvent.connect(self.toggleSource) #tips self.line1.setToolTip("DoubleClick toggles floating window mode") self.closelabel.setToolTip("Hides Source Area") def sourceReparent(self,ddict = None): if self.sourceFrame.parent() is not None: self.sourceFrame.setParent(None) self.sourceFrame.move(self.cursor().pos()) self.sourceFrame.show() else: try: self.splitter.insertWidget(0, self.sourceFrame) except: self.sourceFrame.setParent(self.splitter) def initSource(self): self.sourceWidget = QDispatcher.QDispatcher(self.sourceFrame) self.sourceFrameLayout.addWidget(self.sourceWidget) def _startupSelection(self, source, selection): self.sourceWidget.sourceSelector.openSource(source) if selection is None: return if len(selection) >= 8: if selection[0:8] == "MCA_DATA": ddict= {} ddict['event'] = "addSelection" ddict['SourceName'] = source ddict['Key'] = selection ddict["selection"] = {'cols': {'y': [1], 'x': [0]}} ddict["legend"] = ddict['SourceName'] + ' %s.c.1' %selection ddict["SourceType"] = 'SPS' self.sourceWidget._addSelectionSlot([ddict]) self.mcaWindow.controlWidget.calbox.setCurrentIndex(2) self.mcaWindow.calibration = self.mcaWindow.calboxoptions[2] self.mcaWindow.controlWidget._calboxactivated("Internal") else: return """ elif selection == "XIA_DATA": ddict= {} ddict['event'] = "addSelection" ddict['SourceName'] = "armando5" ddict['Key'] = selection ddict["selection"] = {'rows': {'y': [1], 'x': [0]}} ddict["legend"] = ddict['SourceName'] + ' XIA_DATA.c.1' ddict["SourceType"] = 'SPS' self.sourceWidget._addSelectionSlot([ddict]) """ def menuToolsAboutToShow(self): if DEBUG: print("menu ToolsAboutToShow") self.menuTools.clear() if self.sourceFrame.isHidden(): self.menuTools.addAction("Show Source",self.toggleSource) else: self.menuTools.addAction("Hide Source",self.toggleSource) self.menuTools.addAction("Elements Info",self.__elementsInfo) self.menuTools.addAction("Material Transmission",self.__attTool) self.menuTools.addAction("Identify Peaks",self.__peakIdentifier) self.menuTools.addAction("Batch Fitting",self.__batchFitting) self.menuTools.addAction("Convert Mca to Edf",self.__mca2EdfConversion) #self.menuTools.addAction("Fit to Specfile",self.__fit2SpecConversion) self.menuTools.addAction("RGB Correlator",self.__rgbCorrelator) if STACK: self.menuTools.addAction("ROI Imaging",self.__roiImaging) if XIA_CORRECT: self.menuTools.addAction("XIA Correct", self.__xiaCorrect) if XRFMC_FLAG: self.menuTools.addAction("XMI-MSIM PyMca", self._xrfmcPyMca) if SUMRULES_FLAG: self.menuTools.addAction("Sum Rules Tool", self._sumRules) if DEBUG: print("Fit to Specfile missing") def fontdialog(self): fontd = qt.QFontDialog.getFont(self) if fontd[1]: qApp = qt.QApplication.instance() qApp.setFont(fontd[0],1) def toggleSource(self,**kw): if DEBUG: print("toggleSource called") if self.sourceFrame.isHidden(): self.sourceFrame.show() self.sourceFrame.raise_() else: self.sourceFrame.hide() def __elementsInfo(self): if self.elementsInfo is None: self.elementsInfo=ElementsInfo.ElementsInfo(None,"Elements Info") if self.elementsInfo.isHidden(): self.elementsInfo.show() self.elementsInfo.raise_() def __attTool(self): if self.attenuationTool is None: self.attenuationTool = MaterialEditor.MaterialEditor(toolmode=True) if self.attenuationTool.isHidden(): self.attenuationTool.show() self.attenuationTool.raise_() def __peakIdentifier(self): if self.identifier is None: self.identifier=PeakIdentifier.PeakIdentifier(energy=5.9, useviewer=1) self.identifier.mySlot() if self.identifier.isHidden(): self.identifier.show() self.identifier.raise_() def __batchFitting(self): if self.__batch is None: self.__batch = PyMcaBatch.McaBatchGUI(fl=0,actions=1) if self.__batch.isHidden(): self.__batch.show() self.__batch.raise_() def __mca2EdfConversion(self): if self.__mca2Edf is None: self.__mca2Edf = Mca2Edf.Mca2EdfGUI(fl=0,actions=1) if self.__mca2Edf.isHidden(): self.__mca2Edf.show() self.__mca2Edf.raise_() def __fit2SpecConversion(self): if self.__fit2Spec is None: self.__fit2Spec = Fit2Spec.Fit2SpecGUI(fl=0,actions=1) if self.__fit2Spec.isHidden(): self.__fit2Spec.show() self.__fit2Spec.raise_() def __rgbCorrelator(self): if self.__correlator is None: self.__correlator = [] fileTypeList = ["Batch Result Files (*dat)", "EDF Files (*edf)", "EDF Files (*ccd)", "All Files (*)"] message = "Open ONE Batch result .dat file or SEVERAL EDF files" filelist = self.__getStackOfFiles(fileTypeList, message) if not(len(filelist)): return filelist.sort() self.sourceWidget.sourceSelector.lastInputDir = os.path.dirname(filelist[0]) PyMcaDirs.inputDir = os.path.dirname(filelist[0]) self.__correlator.append(PyMcaPostBatch.PyMcaPostBatch()) for correlator in self.__correlator: if correlator.isHidden(): correlator.show() correlator.raise_() self.__correlator[-1].sigRGBCorrelatorSignal.connect( \ self._deleteCorrelator) if len(filelist) == 1: correlator.addBatchDatFile(filelist[0]) else: correlator.addFileList(filelist) def __sumRules(self): if self.__correlator is None: self.__correlator = [] def _deleteCorrelator(self, ddict): n = len(self.__correlator) if ddict['event'] == "RGBCorrelatorClosed": for i in range(n): if id(self.__correlator[i]) == ddict["id"]: self.__correlator[i].deleteLater() del self.__correlator[i] break def __getStackOfFiles(self, typelist, message="", getfilter=False): wdir = PyMcaDirs.inputDir fileTypeList = typelist filterused = None if False and PyMcaDirs.nativeFileDialogs: #windows cannot handle thousands of files in a file dialog filetypes = "" for filetype in fileTypeList: filetypes += filetype+"\n" filelist = qt.QFileDialog.getOpenFileNames(self, message, wdir, filetypes) if not len(filelist): if getfilter: return [], filterused else: return [] else: sample = qt.safe_str(filelist[0]) for filetype in fileTypeList: ftype = filetype.replace("(", "").replace(")","") extensions = ftype.split()[2:] for extension in extensions: if sample.endswith(extension[-3:]): filterused = filetype break else: fdialog = qt.QFileDialog(self) fdialog.setModal(True) fdialog.setWindowTitle(message) if hasattr(qt, "QStringList"): strlist = qt.QStringList() else: strlist = [] for filetype in fileTypeList: strlist.append(filetype.replace("(","").replace(")","")) if hasattr(fdialog, "setFilters"): fdialog.setFilters(strlist) else: fdialog.setNameFilters(strlist) fdialog.setFileMode(fdialog.ExistingFiles) fdialog.setDirectory(wdir) if QTVERSION > '4.3.0': history = fdialog.history() if len(history) > 6: fdialog.setHistory(history[-6:]) ret = fdialog.exec_() if ret == qt.QDialog.Accepted: filelist = fdialog.selectedFiles() if getfilter: filterused = qt.safe_str(fdialog.selectedFilter()) fdialog.close() del fdialog else: fdialog.close() del fdialog if getfilter: return [], filterused else: return [] filelist = [qt.safe_str(x) for x in filelist] if getfilter: return filelist, filterused else: return filelist def __roiImaging(self): if self.__imagingTool is None: rgbWidget = None try: widget = QStackWidget.QStackWidget(mcawidget=self.mcaWindow, rgbwidget=rgbWidget, master=True) widget.notifyCloseEventToWidget(self) self.__imagingTool = id(widget) self._widgetDict[self.__imagingTool] = widget #w = StackSelector.StackSelector(self) #stack = w.getStack() widget.loadStack() widget.show() except IOError: widget = None del self._widgetDict[self.__imagingTool] self.__imagingTool = None msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) txt = "Input Output Error: %s" % (sys.exc_info()[1]) msg.setInformativeText(txt) msg.setDetailedText(traceback.format_exc()) msg.exec_() return except: widget = None del self._widgetDict[self.__imagingTool] self.__imagingTool = None msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) txt = "Error info = %s" % (sys.exc_info()[1]) msg.setInformativeText(txt) msg.setDetailedText(traceback.format_exc()) msg.exec_() return else: widget = self._widgetDict[self.__imagingTool] if widget.isHidden(): widget.show() widget.raise_() def customEvent(self, event): if hasattr(event, 'dict'): ddict = event.dict if 'event' in ddict: if ddict['event'] == "closeEventSignal": if ddict['id'] in self._widgetDict: if ddict['id'] == self.__imagingTool: self.__imagingTool = None del self._widgetDict[ddict['id']] def __xiaCorrect(self): qApp = qt.QApplication.instance() XiaCorrect.mainGUI(qApp) def _xrfmcPyMca(self): if self._xrfmcTool is None: self._xrfmcTool = XRFMCPyMca.XRFMCPyMca() self._xrfmcTool.show() self._xrfmcTool.raise_() def _sumRules(self): if self._sumRulesTool is None: self._sumRulesTool = SumRulesTool.SumRulesWindow() self._sumRulesTool.show() self._sumRulesTool.raise_() def onOpen(self): self.openMenu.exec_(self.cursor().pos()) def onSave(self): self._saveAs() def onSaveAs(self): index = self.mainTabWidget.currentIndex() text = str(self.mainTabWidget.tabText(index)) self.saveMenu = qt.QMenu() self.saveMenu.addAction("PyMca Configuration", self._onSaveAs) if text.upper() == 'MCA': self.saveMenu.addAction("Active Mca", self.mcaWindow._saveIconSignal) elif text.upper() == 'SCAN': self.saveMenu.addAction("Active Scan", self.scanWindow._saveIconSignal) elif text in self.imageWindowDict.keys(): self.saveMenu.addAction("Active Image", self.imageWindowDict[text].graphWidget._saveIconSignal) self.saveMenu.exec_(self.cursor().pos()) def _onSaveAs(self): cwd = os.getcwd() outfile = qt.QFileDialog(self) if hasattr(outfile, "setFilters"): outfile.setFilters(['PyMca *.ini']) else: outfile.setNameFilters(['PyMca *.ini']) outfile.setFileMode(outfile.AnyFile) outfile.setAcceptMode(qt.QFileDialog.AcceptSave) if os.path.exists(self.configDir): cwd =self.configDir outfile.setDirectory(cwd) ret = outfile.exec_() if ret: if hasattr(outfile, "selectedFilter"): filterused = qt.safe_str(outfile.selectedFilter()).split() else: filterused = qt.safe_str(outfile.selectedNameFilter()).split() extension = ".ini" outdir=qt.safe_str(outfile.selectedFiles()[0]) try: outputDir = os.path.dirname(outdir) except: outputDir = "." try: outputFile = os.path.basename(outdir) except: outputFile = "PyMca.ini" outfile.close() del outfile else: outfile.close() del outfile return #always overwrite for the time being if len(outputFile) < len(extension[:]): outputFile += extension[:] elif outputFile[-4:] != extension[:]: outputFile += extension[:] filename = os.path.join(outputDir, outputFile) if os.path.exists(filename): try: os.remove(filename) except IOError: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) txt = "Input Output Error: %s" % (sys.exc_info()[1]) msg.setInformativeText(txt) msg.setDetailedText(traceback.format_exc()) msg.exec_() return try: self._saveAs(filename) self.configDir = outputDir except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Error Saving Configuration: %s" % (sys.exc_info()[1])) msg.exec_() return def _saveAs(self, filename=None): if filename is None: filename = self.__getDefaultSettingsFile() self.saveConfig(self.getConfig(), filename) def __getDefaultSettingsFile(self): filename = "PyMca.ini" if sys.platform == 'win32': # recipe based on: http://bugs.python.org/issue1763#msg62242 dll = ctypes.windll.shell32 buf = ctypes.create_unicode_buffer(MAX_PATH + 1) if dll.SHGetSpecialFolderPathW(None, buf, 0x0005, False): directory = buf.value else: # the above should have worked home = os.getenv('USERPROFILE') try: l = len(home) directory = os.path.join(home, "My Documents") except: home = '\\' directory = '\\' #print home #print directory if os.path.isdir('%s' % directory): directory = os.path.join(directory, "PyMca") else: #print "My Documents is not there" directory = os.path.join(home, "PyMca") if not os.path.exists('%s' % directory): #print "PyMca directory not present" os.mkdir('%s' % directory) #print filename finalfile = os.path.join(directory, filename) #print finalfile else: home = os.getenv('HOME') directory = os.path.join(home, "PyMca") if not os.path.exists('%s' % directory): os.mkdir('%s' % directory) finalfile = os.path.join(directory, filename) return finalfile def loadTrainingData(self): try: source = os.path.join(PyMcaDataDir.PYMCA_DATA_DIR, 'XRFSpectrum.mca') self.sourceWidget.sourceSelector.openSource(source) except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setWindowTitle("Error opening data source") msg.setText("Cannot open data source %s" % source) msg.setInformativeText(str(sys.exc_info()[1])) msg.setDetailedText(traceback.format_exc()) msg.exec_() def openSource(self,index=0): if DEBUG: print("index = %d " % index) if index <= 0: outfile = qt.QFileDialog(self) outfile.setWindowTitle("Select PyMca Configuration File") if os.path.exists(self.configDir): outfile.setDirectory(self.configDir) if hasattr(outfile, "setFilters"): outfile.setFilters(['PyMca *.ini']) else: outfile.setNameFilters(['PyMca *.ini']) outfile.setFileMode(outfile.ExistingFile) ret = outfile.exec_() if ret: filename = qt.safe_str(outfile.selectedFiles()[0]) outfile.close() del outfile else: outfile.close() del outfile return currentConfigDict = ConfigDict.ConfigDict() self.configDir = os.path.dirname(filename) currentConfigDict.read(filename) self.setConfig(currentConfigDict) return else: index -= 1 source = SOURCESLIST[index] if self.sourceFrame.isHidden(): self.sourceFrame.show() self.sourceFrame.raise_() self.sourceBrowserTab.showPage(self.sourceWidget[source]) qApp = qt.QApplication.instance() qApp.processEvents() self.sourceWidget[source].openFile() def onMenuHelp(self): if self.menuBrowser is None: self.menuBrowser= qt.QTextBrowser() self.menuBrowser.setWindowTitle(QString("Main Menu Help")) ddir=PyMcaDataDir.PYMCA_DOC_DIR if not os.path.exists(os.path.join(ddir,"HTML","Menu.html")): ddir = os.path.dirname(ddir) self.menuBrowser.setSearchPaths([os.path.join(ddir,"HTML")]) self.menuBrowser.setSource(qt.QUrl(QString("Menu.html"))) self.menuBrowser.show() if self.menuBrowser.isHidden(): self.menuBrowser.show() self.menuBrowser.raise_() def onDisplayHowto(self): if self.displayBrowser is None: self.displayBrowser= qt.QTextBrowser() self.displayBrowser.setWindowTitle(QString("Data Display HOWTO")) ddir=PyMcaDataDir.PYMCA_DOC_DIR if not os.path.exists(os.path.join(ddir,"HTML","Display-HOWTO.html")): ddir = os.path.dirname(ddir) self.displayBrowser.setSearchPaths([os.path.join(ddir,"HTML")]) self.displayBrowser.setSource(qt.QUrl(QString("Display-HOWTO.html"))) self.displayBrowser.show() if self.displayBrowser.isHidden(): self.displayBrowser.show() self.displayBrowser.raise_() def onMcaHowto(self): if self.mcaBrowser is None: self.mcaBrowser= MyQTextBrowser() self.mcaBrowser.setWindowTitle(QString("MCA HOWTO")) ddir=PyMcaDataDir.PYMCA_DOC_DIR if not os.path.exists(ddir+"/HTML"+"/MCA-HOWTO.html"): ddir = os.path.dirname(ddir) self.mcaBrowser.setSearchPaths([os.path.join(ddir,"HTML"), os.path.join(ddir,"HTML", "PyMCA_files"), os.path.join(ddir,"HTML", "images")]) self.mcaBrowser.setSource(qt.QUrl(QString("MCA-HOWTO.html"))) #f = open(os.path.join(dir,"HTML","MCA-HOWTO.html")) #self.mcaBrowser.setHtml(f.read()) #f.close() self.mcaBrowser.show() if self.mcaBrowser.isHidden(): self.mcaBrowser.show() self.mcaBrowser.raise_() def onAbout(self): qt.QMessageBox.about(self, "PyMca", "PyMca Application\nVersion: "+__version__) #self.onDebug() def onChanges(self): if self.changeLog is None: self.changeLog = qt.QTextEdit() self.changeLog.setCursor(self.cursor()) self.changeLog.setWindowTitle("PyMCA %s Changes" % __version__) self.changeLog.setWindowIcon(qt.QIcon(qt.QPixmap(IconDict['gioconda16']))) # Does this belong to the data dir or the doc dir? mpath = PyMcaDataDir.PYMCA_DATA_DIR fname = os.path.join(mpath,'changelog.txt') if not os.path.exists(fname): while len(mpath) > 3: fname = os.path.join(mpath,'changelog.txt') #print "looking for ", fname if not os.path.exists(fname): mpath = os.path.dirname(mpath) else: break if os.path.exists(fname): self.log = ChangeLog.ChangeLog(textfile='changelog.txt') self.changeLog.setDocument(self.log) self.changeLog.setMinimumWidth(500) else: self.log = ChangeLog.ChangeLog() self.log.setPlainText('Cannot find file changelog.txt') self.changeLog.show() def onDebug(self): print("Module name PyQt ",qt.PYQT_VERSION_STR) for module in sys.modules.values(): try: if 'Revision' in module.__revision__: if module.__name__ != "__main__": print("Module name = ",module.__name__,module.__revision__.replace("$","")) except: pass def onPrint(self): if DEBUG: print("onPrint called") if not self.scanWindow.isHidden(): self.scanWindow.printGraph() return if not self.__useTabWidget: self.mcaWindow.show() self.mcaWindow.raise_() else: self.mainTabWidget.setCurrentWidget(self.mcaWindow) self.mcaWindow.printGraph() if 0: # # GraphWindow operations # def openGraph(self,name="MCA Graph"): """ Creates a new GraphWindow on the MDI """ self.setFollowActiveWindow(0) #name= self.__getNewGraphName() if name == "MCA Graph": graph= McaWindow.McaWindow(self.mdi, name=name) graph.windowClosed[()].connect(self.closeGraph) graph.show() if len(self.mdi.windowList())==1: graph.showMaximized() else: self.windowTile() self.setFollowActiveWindow(1) def getActiveGraph(self): """ Return active GraphWindow instance or a new one """ graph= self.mdi.activeWindow() if graph is None: graph= self.openGraph() return graph def getGraph(self, name): """ Return GraphWindow instance indexed by name Or None if not found """ for graph in self.mdi.windowList(): if qt.safe_str(graph.caption())== name: return graph return None def closeGraph(self, name): """ Called after a graph is closed """ print("closeGraph", name) def __getGraphNames(self): return [ str(window.caption()) for window in self.mdi.windowList() ] def __getNewGraphName(self): names= self.__getGraphNames() idx= 0 while "Graph %d"%idx in names: idx += 1 return "Graph %d"%(idx) class MyQTextBrowser(qt.QTextBrowser): def setSource(self, name): if name == QString("./PyMCA.html") or ("PyMCA.html" in ("%s" % name)): if sys.platform == 'win32': ddir=PyMcaDataDir.PYMCA_DOC_DIR if not os.path.exists(os.path.join(ddir, "HTML", "PyMCA.html")): ddir = os.path.dirname(ddir) cmd = os.path.join(ddir,"HTML", "PyMCA.pdf") os.system('"%s"' % cmd) return try: self.report.show() except: self.report = qt.QTextBrowser() self.report.setCaption(QString("PyMca Report")) ddir=PyMcaDataDir.PYMCA_DOC_DIR self.report.mimeSourceFactory().addFilePath(QString(ddir+"/HTML")) self.report.mimeSourceFactory().addFilePath(QString(ddir+"/HTML/PyMCA_files")) self.report.setSource(name) if self.report.isHidden():self.report.show() self.report.raiseW() else: qt.QTextBrowser.setSource(self, name) class Line(qt.QFrame): sigLineDoubleClickEvent = qt.pyqtSignal(object) def mouseDoubleClickEvent(self,event): if DEBUG: print("Double Click Event") ddict={} ddict['event']="DoubleClick" ddict['data'] = event self.sigLineDoubleClickEvent.emit(ddict) class PixmapLabel(qt.QLabel): sigPixmapLabelMousePressEvent = qt.pyqtSignal(object) def mousePressEvent(self,event): if DEBUG: print("Mouse Press Event") ddict={} ddict['event']="MousePress" ddict['data'] = event self.sigPixmapLabelMousePressEvent.emit(ddict) if __name__ == '__main__': PROFILING = 0 if PROFILING: import profile import pstats PyMcaMainWidgetInstance = PyMcaMain(**keywords) if nativeFileDialogs is not None: PyMcaDirs.nativeFileDialogs = nativeFileDialogs if debugreport: PyMcaMainWidgetInstance.onDebug() app.lastWindowClosed.connect(app.quit) splash.finish(PyMcaMainWidgetInstance) PyMcaMainWidgetInstance.show() PyMcaMainWidgetInstance.raise_() PyMcaMainWidgetInstance.mcaWindow.replot() #try to interpret rest of command line arguments as data sources try: for source in args: PyMcaMainWidgetInstance.sourceWidget.sourceSelector.openSource(source) except: msg = qt.QMessageBox(PyMcaMainWidgetInstance) msg.setIcon(qt.QMessageBox.Critical) msg.setWindowTitle("Error opening data source") msg.setText("Cannot open data source %s" % source) msg.setInformativeText(str(sys.exc_info()[1])) msg.setDetailedText(traceback.format_exc()) msg.exec_() if PROFILING: profile.run('sys.exit(app.exec_())',"test") p=pstats.Stats("test") p.strip_dirs().sort_stats(-1).print_stats() else: sys.exit(app.exec_()) PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/StackBrowser.py0000644000276300001750000003164313136054446021610 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import numpy from PyMca5.PyMcaGui import MaskImageWidget from PyMca5.PyMcaGui import FrameBrowser from PyMca5.PyMcaCore import DataObject qt = MaskImageWidget.qt IconDict = MaskImageWidget.IconDict DEBUG = 0 class StackBrowser(MaskImageWidget.MaskImageWidget): def __init__(self, *var, **kw): ddict = {} ddict['usetab'] = kw.get("usetab", False) ddict['aspect'] = kw.get("aspect", True) ddict.update(kw) ddict['standalonesave'] = True MaskImageWidget.MaskImageWidget.__init__(self, *var, **ddict) self.setWindowTitle("Stack Browser") self.dataObjectsList = [] self.dataObjectsDict = {} self.nameBox = qt.QWidget(self) self.nameBox.mainLayout = qt.QHBoxLayout(self.nameBox) self.nameLabel = qt.QLabel(self.nameBox) self.nameLabel.setText("Image Name = ") self.name = qt.QLineEdit(self.nameBox) self.nameBox.mainLayout.addWidget(self.nameLabel) self.nameBox.mainLayout.addWidget(self.name) self.roiWidthLabel = qt.QLabel(self.nameBox) self.roiWidthLabel.setText("Width = ") self.roiWidthSpin = qt.QSpinBox(self.nameBox) self.roiWidthSpin.setMinimum(1) self.roiWidthSpin.setMaximum(9999) self.roiWidthSpin.setValue(1) self.roiWidthSpin.setSingleStep(2) self.nameBox.mainLayout.addWidget(self.roiWidthLabel) self.nameBox.mainLayout.addWidget(self.roiWidthSpin) self.slider = FrameBrowser.HorizontalSliderWithBrowser(self) self.slider.setRange(0, 0) self.mainLayout.addWidget(self.nameBox) self.mainLayout.addWidget(self.slider) self.roiWidthSpin.valueChanged[int].connect(self._roiWidthSlot) self.slider.valueChanged[int].connect(self._showImageSliderSlot) self.name.editingFinished[()].connect(self._nameSlot) self.backgroundIcon = qt.QIcon(qt.QPixmap(IconDict["subtract"])) infotext = 'Toggle background image subtraction from current image\n' infotext += 'No action if no background image available.' self.backgroundIcon = qt.QIcon(qt.QPixmap(IconDict["subtract"])) self.backgroundButton = self.graphWidget._addToolButton(\ self.backgroundIcon, self.subtractBackground, infotext, toggle = True, state = False, position = 6) self._backgroundSubtraction = False self.slider.hide() self.buildAndConnectImageButtonBox(replace=True) def setBackgroundImage(self, image=None): self._backgroundImage = image if self._backgroundSubtraction: self.subtractBackground() def setStackDataObject(self, stack, index=None, stack_name=None): if hasattr(stack, "info") and hasattr(stack, "data"): dataObject = stack else: dataObject = DataObject.DataObject() dataObject.info = {} dataObject.data = stack if dataObject.data is None: return if stack_name is None: legend = dataObject.info.get('SourceName', "Stack") else: legend = stack_name if index is None: mcaIndex = dataObject.info.get('McaIndex', 0) else: mcaIndex = index shape = dataObject.data.shape self.dataObjectsList = [legend] self.dataObjectsDict = {legend:dataObject} self._browsingIndex = mcaIndex if mcaIndex == 0: if len(shape) == 2: self._nImages = 1 self.setImageData(dataObject.data) self.slider.hide() self.name.setText(legend) else: self._nImages = 1 for dimension in dataObject.data.shape[:-2]: self._nImages *= dimension #This is a problem for dynamic data #dataObject.data.shape = self._nImages, shape[-2], shape[-1] data = self._getImageDataFromSingleIndex(0) self.setImageData(data) self.slider.setRange(0, self._nImages - 1) self.slider.setValue(0) self.slider.show() self.name.setText(legend+" 0") elif mcaIndex in [len(shape)-1, -1]: mcaIndex = -1 self._browsingIndex = mcaIndex if len(shape) == 2: self._nImages = 1 self.setImageData(dataObject.data) self.slider.hide() self.name.setText(legend) else: self._nImages = 1 for dimension in dataObject.data.shape[2:]: self._nImages *= dimension #This is a problem for dynamic data #dataObject.data.shape = self._nImages, shape[-2], shape[-1] data = self._getImageDataFromSingleIndex(0) self.setImageData(data) self.slider.setRange(0, self._nImages - 1) self.slider.setValue(0) self.slider.show() self.name.setText(legend+" 0") else: raise ValueError("Unsupported 1D index %d" % mcaIndex) if self._nImages > 1: self.showImage(0) else: self.plotImage() def subtractBackground(self): if self.backgroundButton.isChecked(): self._backgroundSubtraction = True else: self._backgroundSubtraction = False index = self.slider.value() self._showImageSliderSlot(index) def _roiWidthSlot(self, width): index = self.slider.value() self._showImageSliderSlot(index) def _getImageDataFromSingleIndex(self, index, width=None, background=None): if width is None: width = int(0.5*(self.roiWidthSpin.value() - 1)) if width < 1: width = 0 if background is None: background = self._backgroundSubtraction if not len(self.dataObjectsList): if DEBUG: print("nothing to show") return legend = self.dataObjectsList[0] if type(legend) == type([]): legend = legend[index] dataObject = self.dataObjectsDict[legend] shape = dataObject.data.shape if len(shape) == 2: if index > 0: raise IndexError("Only one image in stack") return dataObject.data if self._browsingIndex == 0: if len(shape) == 3: if width < 1: data = dataObject.data[index:index+1,:,:] data.shape = data.shape[1:] else: i0 = index - width i1 = index + width + 1 i0 = max(i0, 0) i1 = min(i1, shape[0]) if background: data = dataObject.data[i0:i1,:,:] backgroundData = 0.5*(i1-i0)*\ (data[0, :, :]+data[-1, :,:]) data = data.sum(axis=0) - backgroundData else: data = dataObject.data[i0:i1,:,:].sum(axis=0) data /= float(i1-i0) return data #I have to deduce the appropriate indices from the given index #always assuming C order acquisitionShape = dataObject.data.shape[:-2] if len(shape) == 4: if width < 1: j = index % acquisitionShape[-1] i = int(index/(acquisitionShape[-1]*acquisitionShape[-2])) return dataObject.data[i, j] else: npoints = (acquisitionShape[-1]*acquisitionShape[-2]) i0 = max(index - width, 0) i1 = min(index + width + 1, npoints) for tmpIndex in range(i0, i1): j = tmpIndex % acquisitionShape[-1] i = int(index/npoints) if tmpIndex == i0: data = dataObject.data[i, j] backgroundData = data * 1 elif tmpIndex == (i1-1): tmpData = dataObject.data[i, j] backgroundData = 0.5*(i1-i0)*\ (background+tmpData) data += tmpData else: data += dataObject.data[i, j] if background: data -= backgroundData data /= float(i1-i0) return data elif self._browsingIndex == -1: if len(shape) == 3: if width < 1: data = dataObject.data[:,:,index:index+1] data.shape = data.shape[0], data.shape[1] else: i0 = index - width i1 = index + width + 1 i0 = max(i0, 0) i1 = min(i1, shape[-1]) if background: data = dataObject.data[:,:,i0:i1] backgroundData = 0.5*(i1-i0)*\ (data[:, :, 0]+data[:,:,-1]) data = data.sum(axis=-1) - backgroundData else: data = dataObject.data[:,:,i0:i1].sum(axis=-1) data /= float(i1-i0) return data raise IndexError("Unhandled dimension") def _showImageSliderSlot(self, index): self.showImage(index, moveslider=False) def _nameSlot(self): txt = str(self.name.text()) if len(txt): self.graphWidget.graph.setGraphTitle(txt) else: self.name.setText(self.graphWidget.graph.getTitle()) def _buildTitle(self, legend, index): width = int(0.5*(self.roiWidthSpin.value() - 1)) if width < 1: title = "%s %d" % (legend, index) else: title = "%s average %d to %d" % (legend, index - width, index + width) if self._backgroundSubtraction: title += " Net" return title def showImage(self, index=0, moveslider=True): if not len(self.dataObjectsList): return legend = self.dataObjectsList[0] dataObject = self.dataObjectsDict[legend] data = self._getImageDataFromSingleIndex(index) txt = self._buildTitle(legend, index) self.graphWidget.graph.setGraphTitle(txt) self.name.setText(txt) if self._backgroundSubtraction and (self._backgroundImage is not None): self.setImageData(data - self._backgroundImage) else: self.setImageData(data, clearmask=False) if moveslider: self.slider.setValue(index) self.updateProfileSelectionWindow() if __name__ == "__main__": #create a dummy stack nrows = 100 ncols = 200 nchannels = 1024 a = numpy.ones((nrows, ncols), numpy.float) stackData = numpy.zeros((nrows, ncols, nchannels), numpy.float) for i in range(nchannels): stackData[:, :, i] = a * i app = qt.QApplication([]) app.lastWindowClosed.connect(app.quit) w = StackBrowser() w.setStackDataObject(stackData, index=0) w.show() app.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/Median2DBrowser.py0000644000276300001750000001577613136054446022137 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import numpy try: from PyMca5.PyMcaGui.pymca import StackBrowser from PyMca5.PyMcaMath.PyMcaSciPy.signal import median except ImportError: print("Median2DBrowser problem!") medfilt2d = median.medfilt2d qt = StackBrowser.qt DEBUG = 0 class MedianParameters(qt.QWidget): def __init__(self, parent=None, use_conditional=False): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QHBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) self.label = qt.QLabel(self) self.label.setText("Median filter width: ") self.widthSpin = qt.QSpinBox(self) self.widthSpin.setMinimum(1) self.widthSpin.setMaximum(99) self.widthSpin.setValue(1) self.widthSpin.setSingleStep(2) if use_conditional: self.conditionalLabel = qt.QLabel(self) self.conditionalLabel.setText("Conditional:") self.conditionalSpin = qt.QSpinBox(self) self.conditionalSpin.setMinimum(0) self.conditionalSpin.setMaximum(1) self.conditionalSpin.setValue(0) self.mainLayout.addWidget(self.label) self.mainLayout.addWidget(self.widthSpin) if use_conditional: self.mainLayout.addWidget(self.conditionalLabel) self.mainLayout.addWidget(self.conditionalSpin) class Median2DBrowser(StackBrowser.StackBrowser): def __init__(self, *var, **kw): StackBrowser.StackBrowser.__init__(self, *var, **kw) self.setWindowTitle("Image Browser with Median Filter") self._medianParameters = {'use':True, 'row_width':5, 'column_width':5, 'conditional':0} self._medianParametersWidget = MedianParameters(self, use_conditional=1) self._medianParametersWidget.widthSpin.setValue(5) self.layout().addWidget(self._medianParametersWidget) self._medianParametersWidget.widthSpin.valueChanged[int].connect( \ self.setKernelWidth) self._medianParametersWidget.conditionalSpin.valueChanged[int].connect(\ self.setConditionalFlag) def setKernelWidth(self, value): kernelSize = numpy.asarray(value) if not (int(value) % 2): msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setWindowTitle("Median filter error") msg.setText("One odd values accepted") msg.exec_() return if len(kernelSize.shape) == 0: kernelSize = [kernelSize.item()] * 2 self._medianParameters['row_width'] = kernelSize[0] self._medianParameters['column_width'] = kernelSize[1] self._medianParametersWidget.widthSpin.setValue(int(kernelSize[0])) current = self.slider.value() self.showImage(current, moveslider=False) def setConditionalFlag(self, value): self._medianParameters['conditional'] = int(value) self._medianParametersWidget.conditionalSpin.setValue(int(value)) current = self.slider.value() self.showImage(current, moveslider=False) def _buildTitle(self, legend, index): a = self._medianParameters['row_width'] b = self._medianParameters['column_width'] title = StackBrowser.StackBrowser._buildTitle(self, legend, index) if max(a, b) > 1: if self._medianParameters['conditional'] == 0: return "Median Filter (%d,%d) of %s" % (a, b, title) else: return "Conditional Median Filter (%d,%d) of %s" % (a, b, title) else: return title def showImage(self, index=0, moveslider=True): if not len(self.dataObjectsList): return legend = self.dataObjectsList[0] dataObject = self.dataObjectsDict[legend] data = self._getImageDataFromSingleIndex(index) if self._backgroundSubtraction and (self._backgroundImage is not None): self.setImageData(data - self._backgroundImage) else: self.setImageData(data, clearmask=False) txt = self._buildTitle(legend, index) self.graphWidget.graph.setGraphTitle(txt) self.name.setText(txt) if moveslider: self.slider.setValue(index) def setImageData(self, data, **kw): if self._medianParameters['use']: if max(self._medianParameters['row_width'], self._medianParameters['column_width']) > 1: conditional = self._medianParameters['conditional'] data = medfilt2d(data,[self._medianParameters['row_width'], self._medianParameters['column_width']], conditional=conditional) # this method is in fact of MaskImageWidget StackBrowser.StackBrowser.setImageData(self, data, **kw) if __name__ == "__main__": #create a dummy stack nrows = 100 ncols = 200 nchannels = 1024 a = numpy.ones((nrows, ncols), numpy.float) stackData = numpy.zeros((nrows, ncols, nchannels), numpy.float) for i in range(nchannels): if i % 10: stackData[:, :, i] = a * i else: stackData[:, :, i] = 10 * a * i app = qt.QApplication([]) app.lastWindowClosed[()].connect(app.quit) w = Median2DBrowser() w.setStackDataObject(stackData, index=0) w.show() app.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/PyMcaFileDialogs.py0000644000276300001750000000324113136054446022304 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" print("DEPRECATION WARNING: PyMcaFileDialogs.py moved to io directory") from PyMca5.PyMcaGui.io.PyMcaFileDialogs import * PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/McaSimpleFit.py0000644000276300001750000002732513136054446021516 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import os from PyMca5.PyMcaGui import PyMcaQt as qt QTVERSION = qt.qVersion() from PyMca5.PyMcaGui.math.fitting import SpecfitGui from PyMca5.PyMcaMath.fitting import Specfit class McaSimpleFit(qt.QWidget): sigMcaSimpleFitSignal = qt.pyqtSignal(object) def __init__(self, parent=None, name="McaSimpleFit", specfit=None,fl=0): qt.QWidget.__init__(self, parent) self.setWindowTitle(name) if specfit is None: self.specfit = Specfit.Specfit() else: self.specfit = specfit layout = qt.QVBoxLayout(self) ############## self.headerlabel = qt.QLabel(self) self.headerlabel.setAlignment(qt.Qt.AlignHCenter) self.setheader('Fit of XXXXXXXXXX from Channel XXXXX to XXXX<\b>') ############## defaultFunctions = "SpecfitFunctions.py" if not os.path.exists(defaultFunctions): defaultFunctions = os.path.join(os.path.dirname(__file__), defaultFunctions) self.specfit.importfun(defaultFunctions) self.specfit.settheory('Area Gaussians') self.specfit.setbackground('Linear') fitconfig = {} fitconfig.update(self.specfit.fitconfig) fitconfig['WeightFlag'] = 1 fitconfig['McaMode'] = 1 self.specfit.configure(**fitconfig) self.specfitGui = SpecfitGui.SpecfitGui(self,config=1, status=1, buttons=0, specfit = self.specfit,eh=self.specfit.eh) layout.addWidget(self.headerlabel) layout.addWidget(self.specfitGui) hbox = qt.QWidget(self) hboxLayout = qt.QHBoxLayout(hbox) self.estimatebutton = qt.QPushButton(hbox) self.estimatebutton.setText("Estimate") hs1 = qt.HorizontalSpacer(hbox) self.fitbutton = qt.QPushButton(hbox) self.fitbutton.setText("Fit Again!") self.dismissbutton = qt.QPushButton(hbox) self.dismissbutton.setText("Dismiss") self.estimatebutton.clicked.connect(self.estimate) self.fitbutton.clicked.connect(self.fit) self.dismissbutton.clicked.connect(self.dismiss) self.specfitGui.sigSpecfitGuiSignal.connect(self.__anasignal) hs2 = qt.HorizontalSpacer(hbox) hboxLayout.addWidget(hs1) hboxLayout.addWidget(self.estimatebutton) hboxLayout.addWidget(self.fitbutton) hboxLayout.addWidget(self.dismissbutton) hboxLayout.addWidget(hs2) layout.addWidget(hbox) self.estimatebutton.hide() def setdata(self,*var,**kw): self.info ={} if 'legend' in kw: self.info['legend'] = kw['legend'] del kw['legend'] else: self.info['legend'] = 'Unknown Origin' if 'xlabel' in kw: self.info['xlabel'] = kw['xlabel'] del kw['xlabel'] else: self.info['xlabel'] = 'X' self.specfit.setdata(var,**kw) try: self.info['xmin'] = "%.3f" % min(self.specfit.xdata[0], self.specfit.xdata[-1]) except: self.info['xmin'] = 'First' try: self.info['xmax'] = "%.3f" % max(self.specfit.xdata[0], self.specfit.xdata[-1]) except: self.info['xmax'] = 'Last' self.setheader(text="Fit of %s from %s %s to %s" % (self.info['legend'], self.info['xlabel'], self.info['xmin'], self.info['xmax'])) def setheader(self,*var,**kw): if len(var): text = var[0] elif 'text' in kw: text = kw['text'] elif 'header' in kw: text = kw['header'] else: text = "" self.headerlabel.setText("%s<\b>" % text) def fit(self): if self.specfit.fitconfig['McaMode']: fitconfig = {} fitconfig.update(self.specfit.fitconfig) self.specfitGui.updateGui(configuration=fitconfig) #the GUI already takes care of mcafit self.specfitGui.estimate() else: #self.specfitGui.estimate() self.specfitGui.startfit() def estimate(self): fitconfig = {} fitconfig.update(self.specfit.fitconfig) self.specfitGui.updateGui(configuration=fitconfig) self.specfitGui.estimate() def _emitSignal(self, ddict): self.sigMcaSimpleFitSignal.emit(ddict) def __anasignal(self,ddict): if type(ddict) != type({}): return if 'event' in ddict: if ddict['event'].upper() == "PRINT": h = self.__htmlheader() if __name__ == "__main__": self.__print(h+ddict['text']) else: ndict={} ndict['event'] = "McaSimpleFitPrint" ndict['text' ] = h+ddict['text'] ndict['info' ] = {} ndict['info'].update(self.info) self.sigMcaSimpleFitSignal.emit(ndict) if ddict['event'] == "McaModeChanged": if ddict['data']: self.estimatebutton.hide() else: self.estimatebutton.show() else: ddict['info'] = {} ddict['info'].update(self.info) if ddict['event'] == 'FitFinished': #write the simple fit output in a form acceptable by McaWindow ddict['event'] = 'McaFitFinished' ddict['data'] = [self.specfitGui.specfit.mcagetresult()] self.sigMcaSimpleFitSignal.emit(ddict) def dismiss(self): self.close() def closeEvent(self, event): ddict = {} ddict["event"] = "McaSimpleFitClosed" self.sigMcaSimpleFitSignal.emit(ddict) return qt.QWidget.closeEvent(self, event) def __htmlheader(self): try: header="Fit of %s from %s %s to %s" % (self.info['legend'], self.info['xlabel'], self.info['xmin'], self.info['xmax']) except: header = 'Fit of XXXXXXXXXX from Channel XXXXX to XXXX' if self.specfit.fitconfig['WeightFlag']: weight = "YES" else: weight = "NO" if self.specfit.fitconfig['McaMode']: mode = "YES" else: mode = "NO" theory = self.specfit.fitconfig['fittheory'] bkg = self.specfit.fitconfig['fitbkg'] fwhm = self.specfit.fitconfig['FwhmPoints'] scaling = self.specfit.fitconfig['Yscaling'] h="" h+="

" h+="%s" % header h+="

" h+="" h+="" h+=" " h+=" " h+=" " % theory h+=" " h+=" " h+=" " h+=" " % weight h+=" " h+=" " h+=" " h+=" " % fwhm h+="" h+="" h+=" " h+=" " % bkg h+=" " h+=" " h+=" " h+=" " % mode h+=" " h+=" " h+=" " h+=" " % scaling h+="" h+="
Function:%sWeight:%sFWHM:%d
Background" h+=" :%sMCA Mode:%sScaling:%g
" h+="
" return h def __print(self,text): printer = qt.QPrinter() if printer.setup(self): painter = qt.QPainter() if not(painter.begin(printer)): return 0 try: metrics = qt.QPaintDeviceMetrics(printer) dpiy = metrics.logicalDpiY() margin = int((2/2.54) * dpiy) #2cm margin body = qt.QRect(0.5*margin, margin, metrics.width()- 1 * margin, metrics.height() - 2 * margin) #text = self.mcatable.gettext() #html output -> print text richtext = qt.QSimpleRichText(text, qt.QFont(), qt.QString(""), #0, qt.QStyleSheet.defaultSheet(), qt.QMimeSourceFactory.defaultFactory(), body.height()) view = qt.QRect(body) richtext.setWidth(painter,view.width()) page = 1 while(1): richtext.draw(painter,body.left(),body.top(), view,qt.QColorGroup()) view.moveBy(0, body.height()) painter.translate(0, -body.height()) painter.drawText(view.right() - painter.fontMetrics().width(qt.QString.number(page)), view.bottom() - painter.fontMetrics().ascent() + 5,qt.QString.number(page)) if view.top() >= richtext.height(): break printer.newPage() page += 1 #painter.flush() painter.end() except: #painter.flush() painter.end() msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("%s" % sys.exc_info()[1]) msg.exec_loop() if __name__ == "__main__": import sys app = qt.QApplication(sys.argv) demo = McaSimpleFit() demo.show() app.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/RGBCorrelatorTable.py0000644000276300001750000002200013136054446022601 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" from PyMca5.PyMcaGui import PyMcaQt as qt DEBUG = 0 class RGBCorrelatorTable(qt.QTableWidget): sigRGBCorrelatorTableSignal = qt.pyqtSignal(object) def __init__(self, parent=None): qt.QTableWidget.__init__(self, parent) self.elementList = [] self.rSelection = [] self.gSelection = [] self.bSelection = [] labels = ['Element', 'R', 'G', 'B', 'Data Min', "Data Max"] self.setColumnCount(len(labels)) for i in range(len(labels)): item = self.horizontalHeaderItem(i) if item is None: item = qt.QTableWidgetItem(labels[i], qt.QTableWidgetItem.Type) item.setText(labels[i]) self.setHorizontalHeaderItem(i,item) rheight = self.horizontalHeader().sizeHint().height() self.setMinimumHeight(5*rheight) self.resizeColumnToContents(1) self.resizeColumnToContents(2) self.resizeColumnToContents(3) def build(self, elementlist): self.elementList = elementlist n = len(elementlist) self.setRowCount(n) if n > 0: rheight = self.horizontalHeader().sizeHint().height() for i in range(n): self.setRowHeight(i, rheight) self._addLine(i, elementlist[i]) self.resizeColumnToContents(1) self.resizeColumnToContents(2) self.resizeColumnToContents(3) def _addLine(self, i, cntlabel): #the counter name item = self.item(i, 0) if item is None: item = qt.QTableWidgetItem(cntlabel, qt.QTableWidgetItem.Type) item.setTextAlignment(qt.Qt.AlignHCenter | qt.Qt.AlignVCenter) self.setItem(i, 0, item) else: item.setText(cntlabel) #item is enabled and selectable item.setFlags(qt.Qt.ItemIsEnabled | qt.Qt.ItemIsSelectable) #the checkboxes for j in range(1, 4, 1): widget = self.cellWidget(i, j) if widget is None: widget = CheckBoxItem(self, i, j) self.setCellWidget(i, j, widget) widget.sigCheckBoxItemSignal.connect(self._mySlot) else: pass def _mySlot(self, ddict): row = ddict["row"] col = ddict["col"] if col == 1: if ddict["state"]: if row not in self.rSelection: self.rSelection.append(row) else: if row in self.rSelection: del self.rSelection[self.rSelection.index(row)] if len(self.rSelection) > 1: self.rSelection = self.rSelection[-1:] if col == 2: if ddict["state"]: if row not in self.gSelection: self.gSelection.append(row) else: if row in self.gSelection: del self.gSelection[self.gSelection.index(row)] if len(self.gSelection) > 1: self.gSelection = self.gSelection[-1:] if col == 3: if ddict["state"]: if row not in self.bSelection: self.bSelection.append(row) else: if row in self.bSelection: del self.bSelection[self.bSelection.index(row)] if len(self.bSelection) > 1: self.bSelection = self.bSelection[-1:] #I should check if there is a change ... self._update() def _emitSignal(self): ddict = self.getElementSelection() ddict['event'] = "updated" self.sigRGBCorrelatorTableSignal.emit(ddict) def _update(self): for i in range(self.rowCount()): j = 1 widget = self.cellWidget(i, j) if i in self.rSelection: if not widget.isChecked(): widget.setChecked(True) else: if widget.isChecked(): widget.setChecked(False) j = 2 widget = self.cellWidget(i, j) if i in self.gSelection: if not widget.isChecked(): widget.setChecked(True) else: if widget.isChecked(): widget.setChecked(False) j = 3 widget = self.cellWidget(i, j) if i in self.bSelection: if not widget.isChecked(): widget.setChecked(True) else: if widget.isChecked(): widget.setChecked(False) self._emitSignal() def getElementSelection(self): ddict = {} ddict['elementlist'] = self.elementList * 1 n = len(self.elementList) if n == 0: self.rSelection = [] self.gSelection = [] self.bSelection = [] if len(self.rSelection): if self.rSelection[0] >= n: self.rSelection = [] if len(self.gSelection): if self.gSelection[0] >= n: self.gSelection = [] if len(self.bSelection): if self.bSelection[0] >= n: self.bSelection = [] ddict['r'] = self.rSelection * 1 ddict['g'] = self.gSelection * 1 ddict['b'] = self.bSelection * 1 return ddict def setElementSelection(self, ddict): keys = ddict.keys() if 'elementlist' in keys: elementlist = ddict['elementlist'] else: elementlist = self.elementList * 1 if 'r' in keys: x = ddict['r'] else: x = [] if 'g' in keys: y = ddict['g'] else: y = [] if 'b' in keys: monitor = ddict['b'] else: monitor = [] self.rSelection = [] for item in x: if item < len(elementlist): counter = elementlist[item] if 0: if counter in self.elementList: self.rSelection.append(self.elementList.index(counter)) else: self.rSelection.append(item) self.gSelection = [] for item in y: if item < len(elementlist): counter = elementlist[item] if counter in self.elementList: self.gSelection.append(self.elementList.index(counter)) self.bSelection = [] for item in monitor: if item < len(elementlist): counter = elementlist[item] if counter in self.elementList: self.bSelection.append(self.elementList.index(counter)) self._update() class CheckBoxItem(qt.QCheckBox): sigCheckBoxItemSignal = qt.pyqtSignal(object) def __init__(self, parent, row, col): qt.QCheckBox.__init__(self, parent) self.__row = row self.__col = col self.clicked[bool].connect(self._mySignal) def _mySignal(self, value): ddict = {} ddict["event"] = "clicked" ddict["state"] = value ddict["row"] = self.__row * 1 ddict["col"] = self.__col * 1 self.sigCheckBoxItemSignal.emit(ddict) def main(): app = qt.QApplication([]) def slot(ddict): print("received dict = ", ddict) tab = RGBCorrelatorTable() tab.sigRGBCorrelatorTableSignal.connect(slot) tab.build(["Cnt1", "Cnt2", "Cnt3"]) tab.setElementSelection({'r':[1], 'g':[4], 'elementlist':["dummy", "Ca K", "Fe K", "Pb M", "U l"]}) tab.show() app.exec_() if __name__ == "__main__": main() PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/__init__.py0000644000276300001750000000000013136054446020715 0ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/StackXASBatchWindow.py0000644000276300001750000001563513136054446022755 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import numpy from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaGui import PyMca_Icons IconDict = PyMca_Icons.IconDict from PyMca5.PyMcaGui import PyMcaFileDialogs DEBUG = 0 class StackXASBatchWindow(qt.QWidget): def __init__(self, parent=None): qt.QWidget.__init__(self, parent) self.setWindowTitle("StackXASBatchWindow") self.setWindowIcon(qt.QIcon(qt.QPixmap(IconDict['gioconda16']))) self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) # configuration file configLabel = qt.QLabel(self) configLabel.setText("XAS Configuration File:") self._configLine = qt.QLineEdit(self) self._configLine.setReadOnly(True) self._configButton = qt.QPushButton(self) self._configButton.setText("Browse") self._configButton.setAutoDefault(False) self._configButton.clicked.connect(self.browseConfigurationFile) # output directory outLabel = qt.QLabel(self) outLabel.setText("Output dir:") self._outLine = qt.QLineEdit(self) self._outLine.setReadOnly(True) self._outButton = qt.QPushButton(self) self._outButton.setText('Browse') self._outButton.setAutoDefault(False) self._outButton.clicked.connect(self.browseOutputDir) # output file name fileLabel = qt.QLabel(self) fileLabel.setText("Output file root:") self._fileLine = qt.QLineEdit(self) self._fileLine.setReadOnly(False) self._fileLine.setText("XAS_Result") boxLabel = qt.QLabel(self) boxLabel.setText("Options:") self._boxContainer = qt.QWidget(self) self._boxContainerLayout = qt.QHBoxLayout(self._boxContainer) self._boxContainerLayout.setContentsMargins(0, 0, 0, 0) self._boxContainerLayout.setSpacing(0) # Mask self._maskBox = qt.QCheckBox(self._boxContainer) self._maskBox.setText("Use selection mask") self._maskBox.setChecked(True) self._maskBox.setEnabled(False) text = "If pixels are currently selected, only the spectra\n" text += "associated to those pixels will be analyzed" self._maskBox.setToolTip(text) self._boxContainerLayout.addWidget(self._maskBox) self.mainLayout.addWidget(configLabel, 0, 0) self.mainLayout.addWidget(self._configLine, 0, 1) self.mainLayout.addWidget(self._configButton, 0, 2) self.mainLayout.addWidget(outLabel, 1, 0) self.mainLayout.addWidget(self._outLine, 1, 1) self.mainLayout.addWidget(self._outButton, 1, 2) self.mainLayout.addWidget(fileLabel, 2, 0) self.mainLayout.addWidget(self._fileLine, 2, 1) self.mainLayout.addWidget(boxLabel, 3, 0) self.mainLayout.addWidget(self._boxContainer, 3, 1, 1, 1) def sizeHint(self): return qt.QSize(int(1.8 * qt.QWidget.sizeHint(self).width()), qt.QWidget.sizeHint(self).height()) def browseConfigurationFile(self): f = PyMcaFileDialogs.getFileList(parent=self, filetypelist=["Configuration files (*.ini)", "Configuration files (*.cfg)"], message="Open a XAS configuration file", mode="OPEN", single=True) if len(f): self._configLine.setText(f[0]) def browseOutputDir(self): f = PyMcaFileDialogs.getExistingDirectory(parent=self, message="Please select output directory", mode="OPEN") if len(f): self._outLine.setText(f) def getParameters(self): ddict = {} ddict['configuration'] = qt.safe_str(self._configLine.text()) ddict['output_dir'] = qt.safe_str(self._outLine.text()) ddict['file_root'] = qt.safe_str(self._fileLine.text()) if self._maskBox.isChecked(): ddict['mask'] = 1 else: ddict['mask'] = 0 return ddict class StackXASBatchDialog(qt.QDialog): def __init__(self, parent=None): qt.QDialog.__init__(self, parent) self.setWindowTitle("Stack XAS Batch Dialog") self.setWindowIcon(qt.QIcon(qt.QPixmap(IconDict['gioconda16']))) self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(10, 10, 10, 10) self.parametersWidget = StackXASBatchWindow(self) self.rejectButton= qt.QPushButton(self) self.rejectButton.setAutoDefault(False) self.rejectButton.setText("Cancel") self.acceptButton= qt.QPushButton(self) self.acceptButton.setAutoDefault(False) self.acceptButton.setText("OK") self.rejectButton.clicked.connect(self.reject) self.acceptButton.clicked.connect(self.accept) self.mainLayout.addWidget(self.parametersWidget, 0, 0, 5, 4) self.mainLayout.addWidget(self.rejectButton, 6, 1) self.mainLayout.addWidget(self.acceptButton, 6, 2) def getParameters(self): return self.parametersWidget.getParameters() if __name__ == "__main__": app = qt.QApplication([]) w = StackXASBatchDialog() ret = w.exec_() if ret: print(w.getParameters()) #app.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/QPyMcaMatplotlibSave.py0000644000276300001750000011532513136054446023200 0ustar solebliss00000000000000#!/usr/bin/env python #/*########################################################################## # Copyright (C) 2004-2016 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os import numpy import traceback from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaCore import PyMcaMatplotlibSave from PyMca5.PyMcaGui import IconDict from PyMca5.PyMcaGui import PyMcaPrintPreview from PyMca5 import PyMcaDirs from matplotlib import cm from matplotlib.font_manager import FontProperties from matplotlib.backends.backend_qt4agg import FigureCanvasQTAgg as FigureCanvas from matplotlib.figure import Figure from matplotlib.colors import LinearSegmentedColormap, LogNorm, Normalize from matplotlib.ticker import MaxNLocator, AutoLocator DEBUG = 0 class TopWidget(qt.QWidget): def __init__(self, parent = None): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) self.labelList = ['Title', 'X Label', 'Y Label'] self.keyList = ['title', 'xlabel', 'ylabel'] self.lineEditList = [] for i in range(len(self.labelList)): label = qt.QLabel(self) label.setText(self.labelList[i]) lineEdit = qt.QLineEdit(self) self.mainLayout.addWidget(label, i, 0) self.mainLayout.addWidget(lineEdit, i, 1) self.lineEditList.append(lineEdit) def getParameters(self): ddict = {} i = 0 for label in self.keyList: ddict[label] = qt.safe_str(self.lineEditList[i].text()) i = i + 1 return ddict def setParameters(self, ddict): for label in ddict.keys(): if label.lower() in self.keyList: i = self.keyList.index(label) self.lineEditList[i].setText(ddict[label]) return class ButtonsWidget(qt.QWidget): def __init__(self, parent=None): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QVBoxLayout(self) self.updateButton = qt.QPushButton(self) self.updateButton.setText("Update") self.printButton = qt.QPushButton(self) self.printButton.setText("Print") self.saveButton = qt.QPushButton(self) self.saveButton.setText("Save") self.mainLayout.addWidget(self.updateButton) self.mainLayout.addWidget(self.printButton) self.mainLayout.addWidget(self.saveButton) class SaveImageSetup(qt.QWidget): def __init__(self, parent=None, image=None): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QGridLayout(self) self.mainLayout.setColumnStretch(0, 1) self.mainLayout.setColumnStretch(1, 0) self.setWindowTitle("PyMca - Matplotlib save image") self.setWindowIcon(qt.QIcon(qt.QPixmap(IconDict['gioconda16']))) self.lastOutputDir = None self.printPreview = PyMcaPrintPreview.PyMcaPrintPreview(modal = 0) #top self.top = TopWidget(self) self.mainLayout.addWidget(self.top, 0, 0) #image self.imageWidget = QPyMcaMatplotlibImage(self, image) self.mainLayout.addWidget(self.imageWidget, 1, 0) #right self.right = RightWidget(self) self.mainLayout.addWidget(self.right, 1, 1) #buttons self._buttonContainer = ButtonsWidget(self) self.mainLayout.addWidget(self._buttonContainer, 0, 1) self._buttonContainer.updateButton.clicked.connect(\ self.updateClicked) self._buttonContainer.printButton.clicked.connect(self.printClicked) self._buttonContainer.saveButton.clicked.connect(self.saveClicked) def sizeHint(self): return qt.QSize(3 * qt.QWidget.sizeHint(self).width(), 3 * qt.QWidget.sizeHint(self).height()) def setImageData(self, image=None): self.imageWidget.imageData = image self.updateClicked() def setPixmapImage(self, image=None, bgr=False): #this is not to loose time plotting twice self.imageWidget.setPixmapImage(None, bgr) if image is None: self.right.setPixmapMode(False) else: self.right.setPixmapMode(True) #update configuration withoutplotting because of having #set the current pixmap to None self.updateClicked() #and plot self.imageWidget.setPixmapImage(image, bgr) def getParameters(self): ddict = self.imageWidget.getParameters() ddict.update(self.top.getParameters()) ddict.update(self.right.getParameters()) return ddict def setParameters(self, ddict): self.top.setParameters(ddict) self.imageWidget.setParameters(ddict) self.right.setParameters(ddict) def updateClicked(self): try: ddict = self.getParameters() self.imageWidget.setParameters(ddict) except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Error updating image:") msg.setInformativeText("%s" % sys.exc_info()[1]) msg.setDetailedText(traceback.format_exc()) msg.setWindowTitle('Matplotlib Save Image') msg.exec_() def printClicked(self): try: pixmap = qt.QPixmap.grabWidget(self.imageWidget) self.printPreview.addPixmap(pixmap) if self.printPreview.isHidden(): self.printPreview.show() self.printPreview.raise_() except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Error printing image: %s" % sys.exc_info()[1]) msg.setWindowTitle('Matplotlib Save Image') msg.exec_() def saveClicked(self): outfile = qt.QFileDialog(self) outfile.setModal(1) if self.lastOutputDir is None: self.lastOutputDir = PyMcaDirs.outputDir outfile.setWindowTitle("Output File Selection") if hasattr(qt, "QStringList"): strlist = qt.QStringList() else: strlist = [] format_list = [] format_list.append('Graphics PNG *.png') format_list.append('Graphics EPS *.eps') format_list.append('Graphics SVG *.svg') for f in format_list: strlist.append(f) if hasattr(outfile, "setFilters"): outfile.setFilters(strlist) else: outfile.setNameFilters(strlist) outfile.setFileMode(outfile.AnyFile) outfile.setAcceptMode(qt.QFileDialog.AcceptSave) outfile.setDirectory(self.lastOutputDir) ret = outfile.exec_() if ret: if hasattr(outfile, "selectedFilter"): filterused = qt.safe_str(outfile.selectedFilter()).split() else: filterused = qt.safe_str(outfile.selectedNameFilter()).split() filedescription = filterused[0] filetype = filterused[1] extension = filterused[2] try: outstr = qt.safe_str(outfile.selectedFiles()[0]) except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Error saving image: %s" % sys.exc_info()[1]) msg.setWindowTitle('Matplotlib Save Image') msg.exec_() try: outputDir = os.path.dirname(outstr) self.lastOutputDir = outputDir PyMcaDirs.outputDir = outputDir except: outputDir = "." try: outputFile = os.path.basename(outstr) except: outputFile = outstr outfile.close() del outfile else: outfile.close() del outfile return #always overwrite for the time being if len(outputFile) < len(extension[1:]): outputFile += extension[1:] elif outputFile[-4:] != extension[1:]: outputFile += extension[1:] finalFile = os.path.join(outputDir, outputFile) if os.path.exists(finalFile): try: os.remove(finalFile) except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Cannot overwrite file: %s" % sys.exc_info()[1]) msg.setWindowTitle('Matplotlib Save Image') msg.exec_() return try: self.imageWidget.print_figure(finalFile, edgecolor='w', facecolor='w', format=finalFile[-3:], dpi=self.imageWidget.config['outputdpi']) except: print("WARNING: trying to save using obsolete method") config = self.imageWidget.getParameters() try: s=PyMcaMatplotlibSave.PyMcaMatplotlibSaveImage(self.imageWidget.imageData) if self.imageWidget.pixmapImage is not None: s.setPixmapImage(self.imageWidget.pixmapImage) s.setParameters(config) s.saveImage(finalFile) except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Error saving file: %s" % sys.exc_info()[1]) msg.setWindowTitle('Matplotlib Save Image') msg.exec_() class SimpleComboBox(qt.QComboBox): def __init__(self, parent=None, options=['1', '2', '3']): qt.QComboBox.__init__(self,parent) self.setOptions(options) self.setDuplicatesEnabled(False) self.setEditable(False) def setOptions(self,options=['1','2','3']): self.clear() for item in options: self.addItem(item) def setCurrentText(self, text): for i in range(self.count()): if qt.safe_str(self.itemText(i)) == text: self.setCurrentIndex(i) break class RightWidget(qt.QWidget): def __init__(self, parent = None): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QVBoxLayout(self) self.gridWidget = qt.QWidget(self) self.gridLayout = qt.QGridLayout(self.gridWidget) self.gridLayout.setContentsMargins(0, 0, 0, 0) self.gridLayout.setSpacing(2) self.labelList = ['X Axis', 'Y Axis', 'N X Labels', 'N Y Labels', 'Origin', 'Interpolation', 'Colormap', 'Lin/Log Colormap', 'Colorbar', 'Contour', 'Contour Labels', 'Contour Label Format', 'Contour Levels', 'Contour Line Width', 'Image Background', 'X Pixel Size', 'Y Pixel Size', 'X Origin', 'Y Origin', 'Zoom X Min', 'Zoom X Max', 'Zoom Y Min', 'Zoom Y Max', 'Value Min', 'Value Max', 'Output dpi'] self.keyList = [] for label in self.labelList: self.keyList.append(label.lower().replace(' ','').replace('/',"")) self.comboBoxList = [] for i in range(len(self.labelList)): label = qt.QLabel(self) label.setText(self.labelList[i]) if self.labelList[i] in ['X Axis', 'Y Axis']: options = ['Off', 'On'] if self.labelList[i] in ['N X Labels', 'N Y Labels']: options = ['Auto', '1', '2', '3', '4', '5', '6', '7', '8', '9'] elif self.labelList[i] in ['Colormap']: options = ['Temperature','Grey', 'Yerg',\ 'Red', 'Green', 'Blue',\ 'Rainbow', 'Jet','Hot', 'Cool', 'Copper'] for candidate in ['spectral', 'Paired', 'Paired_r', 'PuBu', 'PuBu_r', 'RdBu', 'RdBu_r', 'gist_earth', 'gist_earth_r', 'Blues', 'Blues_r', 'YlGnBu', 'YlGnBu_r']: if hasattr(cm, candidate): options.append(candidate) elif self.labelList[i] in ['Lin/Log Colormap']: options = ['Linear','Logarithmic'] elif self.labelList[i] in ['Colorbar']: options = ['None', 'Vertical', 'Horizontal'] elif self.labelList[i] in ['Origin']: options = ['Lower', 'Upper'] elif self.labelList[i] in ['Interpolation']: options = ['Nearest', 'Bilinear'] elif self.labelList[i] in ['Contour']: options = ['Off', 'Line'] elif self.labelList[i] in ['Contour Labels']: options = ['On', 'Off'] elif self.labelList[i] in ['Contour Label Format']: options = ['%.3f', '%.2f', '%.1f', '%.0f', '%.1e', '%.2e', '%.3e'] elif self.labelList[i] in ['Contour Levels']: options = ["10", "9", "8", "7", "6", "5", "4", "3", "2", "1"] elif self.labelList[i] in ['Image Background']: options = ['Black', 'White', 'Grey'] if self.labelList[i] in ['Contour Levels']: line = qt.QSpinBox(self) line.setMinimum(1) line.setMaximum(1000) line.setValue(10) elif self.labelList[i] in ['Contour Line Width']: line = qt.QSpinBox(self) line.setMinimum(1) line.setMaximum(100) line.setValue(10) elif i <= self.labelList.index('Image Background'): line = SimpleComboBox(self, options) else: line = MyLineEdit(self) validator = qt.QDoubleValidator(line) line.setValidator(validator) if 'Zoom' in self.labelList[i]: tip = "This zoom is in physical units.\n" tip += "This means pixel size corrected.\n" tip += "To disable zoom, just set both\n" tip += "limits to the same value." line.setToolTip(tip) line.setText('0.0') elif 'Origin' in self.labelList[i]: tip = "First pixel coordinates in physical units.\n" tip += "This means pixel size corrected.\n" line.setToolTip(tip) line.setText('0.0') elif 'Value' in self.labelList[i]: tip = "Clipping values of the data.\n" tip += "To disable clipping, just set both\n" tip += "limits to the same value." line.setToolTip(tip) line.setText('0.0') elif 'Output dpi' in self.labelList[i]: tip = "=Output file resolution." line.setToolTip(tip) line.setText("%d" % 100) else: line.setText('1.0') self.gridLayout.addWidget(label, i, 0) self.gridLayout.addWidget(line, i, 1) self.comboBoxList.append(line) self.mainLayout.addWidget(self.gridWidget) self.mainLayout.addWidget(qt.VerticalSpacer(self)) self.setPixmapMode(False) def setPixmapMode(self, flag): if flag: disable = ['Colormap', 'Lin/Log Colormap', 'Contour', 'Contour Labels', 'Contour Label Format', 'Contour Levels', 'Colorbar', 'Value Min','Value Max'] else: disable = ['Image Background'] for label in self.labelList: index = self.labelList.index(label) if label in disable: self.comboBoxList[index].setEnabled(False) else: self.comboBoxList[index].setEnabled(True) def getParameters(self): ddict = {} i = 0 for label in self.keyList: if i == self.labelList.index('Contour Levels'): ddict[label] = self.comboBoxList[i].value() elif i == self.labelList.index('Contour Line Width'): ddict[label] = self.comboBoxList[i].value() elif i > self.labelList.index('Image Background'): text = qt.safe_str(self.comboBoxList[i].text()) if len(text): if label in ['Output dpi', "N X Labels", "N Y Labels"]: if ddict[label] in ['Auto', 'auto', '0', 0]: ddict['label'] = 0 else: ddict[label] = int(text) else: ddict[label] = float(text) else: ddict[label] = None else: ddict[label] = qt.safe_str(self.comboBoxList[i].currentText()).lower() if (ddict[label] == 'none') or (ddict[label] == 'default'): ddict[label] = None i = i + 1 return ddict def setParameters(self, ddict): for label in ddict.keys(): if label.lower() in self.keyList: i = self.keyList.index(label) if i == self.labelList.index('Contour Levels'): self.comboBoxList[i].setValue(int(ddict[label])) elif i == self.labelList.index('Contour Line Width'): self.comboBoxList[i].setValue(int(ddict[label])) elif i > self.labelList.index('Image Background'): if ddict[label] is not None: if label in ['Output dpi']: self.comboBoxList[i].setText("%d" % int(ddict[label])) elif label in ['N X Labels', 'N Y Labels']: if ddict[label] in ['Auto', 'auto', '0', 0]: self.comboBoxList[i].setText("Auto") else: self.comboBoxList[i].setText("%d" %\ int(ddict[label])) else: self.comboBoxList[i].setText("%f" % ddict[label]) else: txt = ddict[label] if ddict[label] is not None: try: txt = ddict[label][0].upper() +\ ddict[label][1:].lower() except: pass self.comboBoxList[i].setCurrentText(txt) return class MyLineEdit(qt.QLineEdit): def sizeHint(self): return qt.QSize(0.6 * qt.QLineEdit.sizeHint(self).width(), qt.QLineEdit.sizeHint(self).height()) class QPyMcaMatplotlibImage(FigureCanvas): def __init__(self, parent, imageData=None, dpi=100, size=(5, 5), xaxis='off', yaxis='off', xlabel='', ylabel='', nxlabels=0, nylabels=0, colorbar=None, title='', interpolation='nearest', colormap=None, linlogcolormap='linear', origin='lower', contour='off', contourlabels='on', contourlabelformat='%.3f', contourlevels=2, contourlinewidth=10, extent=None, xpixelsize=1.0, ypixelsize=1.0, xorigin=0.0, yorigin=0.0, xlimits=None, ylimits=None, vlimits=None): self.figure = Figure(figsize=size, dpi=dpi) #in inches #How to set this color equal to the other widgets color? #self.figure.set_facecolor('1.0') #self.figure.set_edgecolor('1.0') FigureCanvas.__init__(self, self.figure) FigureCanvas.setSizePolicy(self, qt.QSizePolicy.Expanding, qt.QSizePolicy.Expanding) self.imageData = imageData self.pixmapImage = None self.config={'xaxis':xaxis, 'yaxis':yaxis, 'title':title, 'xlabel':xlabel, 'ylabel':ylabel, 'nxlabels':nxlabels, 'nylabels':nylabels, 'colorbar':colorbar, 'colormap':colormap, 'linlogcolormap':linlogcolormap, 'interpolation':interpolation, 'origin':origin, 'contour':contour, 'contourlabels':contourlabels, 'contourlabelformat':contourlabelformat, 'contourlevels':contourlevels, 'contourlinewidth':contourlinewidth, 'extent':extent, 'imagebackground':'black', 'xorigin':xorigin, 'yorigin':yorigin, 'xpixelsize':xpixelsize, 'ypixelsize':ypixelsize, 'zoomxmin':None, 'zoomxmax':None, 'zoomymin':None, 'zoomymax':None, 'valuemin':None, 'valuemax':None, 'xlimits':xlimits, 'ylimits':ylimits, 'vlimits':vlimits, 'outputdpi':dpi} #generate own colormaps cdict = {'red': ((0.0, 0.0, 0.0), (1.0, 1.0, 1.0)), 'green': ((0.0, 0.0, 0.0), (1.0, 0.0, 0.0)), 'blue': ((0.0, 0.0, 0.0), (1.0, 0.0, 0.0))} self.__redCmap = LinearSegmentedColormap('red',cdict,256) cdict = {'red': ((0.0, 0.0, 0.0), (1.0, 0.0, 0.0)), 'green': ((0.0, 0.0, 0.0), (1.0, 1.0, 1.0)), 'blue': ((0.0, 0.0, 0.0), (1.0, 0.0, 0.0))} self.__greenCmap = LinearSegmentedColormap('green',cdict,256) cdict = {'red': ((0.0, 0.0, 0.0), (1.0, 0.0, 0.0)), 'green': ((0.0, 0.0, 0.0), (1.0, 0.0, 0.0)), 'blue': ((0.0, 0.0, 0.0), (1.0, 1.0, 1.0))} self.__blueCmap = LinearSegmentedColormap('blue',cdict,256) # Temperature as defined in spslut cdict = {'red': ((0.0, 0.0, 0.0), (0.5, 0.0, 0.0), (0.75, 1.0, 1.0), (1.0, 1.0, 1.0)), 'green': ((0.0, 0.0, 0.0), (0.25, 1.0, 1.0), (0.75, 1.0, 1.0), (1.0, 0.0, 0.0)), 'blue': ((0.0, 1.0, 1.0), (0.25, 1.0, 1.0), (0.5, 0.0, 0.0), (1.0, 0.0, 0.0))} #but limited to 256 colors for a faster display (of the colorbar) self.__temperatureCmap = LinearSegmentedColormap('temperature', cdict, 256) #reversed gray cdict = {'red': ((0.0, 1.0, 1.0), (1.0, 0.0, 0.0)), 'green': ((0.0, 1.0, 1.0), (1.0, 0.0, 0.0)), 'blue': ((0.0, 1.0, 1.0), (1.0, 0.0, 0.0))} self.__reversedGrayCmap = LinearSegmentedColormap('yerg', cdict, 256) self.updateFigure() def updateFigure(self): self.figure.clear() if (self.imageData is None) and \ (self.pixmapImage is None): return # The axes self.axes = self.figure.add_axes([.15, .15, .75, .8]) if self.config['xaxis'] == 'off': self.axes.xaxis.set_visible(False) else: self.axes.xaxis.set_visible(True) nLabels = self.config['nxlabels'] if nLabels not in ['Auto', 'auto', '0', 0]: self.axes.xaxis.set_major_locator(MaxNLocator(nLabels)) else: self.axes.xaxis.set_major_locator(AutoLocator()) if self.config['yaxis'] == 'off': self.axes.yaxis.set_visible(False) else: self.axes.yaxis.set_visible(True) nLabels = self.config['nylabels'] if nLabels not in ['Auto', 'auto', '0', 0]: self.axes.yaxis.set_major_locator(MaxNLocator(nLabels)) else: self.axes.yaxis.set_major_locator(AutoLocator()) if self.pixmapImage is not None: self._updatePixmapFigure() return interpolation = self.config['interpolation'] origin = self.config['origin'] cmap = self.__temperatureCmap ccmap = cm.gray if self.config['colormap'] in ['grey','gray']: cmap = cm.gray ccmap = self.__temperatureCmap elif self.config['colormap'] in ['yarg','yerg']: cmap = self.__reversedGrayCmap ccmap = self.__temperatureCmap elif self.config['colormap']=='jet': cmap = cm.jet elif self.config['colormap']=='hot': cmap = cm.hot elif self.config['colormap']=='cool': cmap = cm.cool elif self.config['colormap']=='copper': cmap = cm.copper elif self.config['colormap']=='spectral': cmap = cm.spectral elif self.config['colormap']=='hsv': cmap = cm.hsv elif self.config['colormap']=='rainbow': cmap = cm.gist_rainbow elif self.config['colormap']=='red': cmap = self.__redCmap elif self.config['colormap']=='green': cmap = self.__greenCmap elif self.config['colormap']=='blue': cmap = self.__blueCmap elif self.config['colormap']=='temperature': cmap = self.__temperatureCmap elif self.config['colormap'] == 'paired': cmap = cm.Paired elif self.config['colormap'] == 'paired_r': cmap = cm.Paired_r elif self.config['colormap'] == 'pubu': cmap = cm.PuBu elif self.config['colormap'] == 'pubu_r': cmap = cm.PuBu_r elif self.config['colormap'] == 'rdbu': cmap = cm.RdBu elif self.config['colormap'] == 'rdbu_r': cmap = cm.RdBu_r elif self.config['colormap'] == 'gist_earth': cmap = cm.gist_earth elif self.config['colormap'] == 'gist_earth_r': cmap = cm.gist_earth_r elif self.config['colormap'] == 'blues': cmap = cm.Blues elif self.config['colormap'] == 'blues_r': cmap = cm.Blues_r elif self.config['colormap'] == 'ylgnbu': cmap = cm.YlGnBu elif self.config['colormap'] == 'ylgnbu_r': cmap = cm.YlGnBu_r else: print("Unsupported colormap %s" % self.config['colormap']) if self.config['extent'] is None: h, w = self.imageData.shape x0 = self.config['xorigin'] y0 = self.config['yorigin'] w = w * self.config['xpixelsize'] h = h * self.config['ypixelsize'] if origin == 'upper': extent = (x0, w+x0, h+y0, y0) else: extent = (x0, w+x0, y0, h+y0) else: extent = self.config['extent'] vlimits = self.__getValueLimits() if vlimits is None: imageData = self.imageData vmin = self.imageData.min() vmax = self.imageData.max() else: vmin = min(vlimits[0], vlimits[1]) vmax = max(vlimits[0], vlimits[1]) imageData = self.imageData.clip(vmin,vmax) if self.config['linlogcolormap'] != 'linear': if vmin <= 0: if vmax > 0: vmin = min(imageData[imageData>0]) else: vmin = 0.0 vmax = 1.0 self._image = self.axes.imshow(imageData.clip(vmin,vmax), interpolation=interpolation, origin=origin, cmap=cmap, extent=extent, norm=LogNorm(vmin, vmax)) else: self._image = self.axes.imshow(imageData, interpolation=interpolation, origin=origin, cmap=cmap, extent=extent, norm=Normalize(vmin, vmax)) ylim = self.axes.get_ylim() if self.config['colorbar'] is not None: barorientation = self.config['colorbar'] if barorientation == "vertical": xlim = self.axes.get_xlim() deltaX = abs(xlim[1] - xlim[0]) deltaY = abs(ylim[1] - ylim[0]) ratio = deltaY/ float(deltaX) shrink = ratio self._colorbar = self.figure.colorbar(self._image, fraction=0.046, pad=0.04, #shrink=shrink, aspect=20 * shrink, orientation=barorientation) if ratio < 0.51: nTicks = 5 if ratio < 0.2: nTicks = 3 try: tick_locator = MaxNLocator(nTicks) self._colorbar.locator = tick_locator self._colorbar.update_ticks() except: print("Colorbar error", sys.exc_info()) pass else: self._colorbar = self.figure.colorbar(self._image, orientation=barorientation) #contour plot if self.config['contour'] != 'off': dataMin = imageData.min() dataMax = imageData.max() ncontours = int(self.config['contourlevels']) levels = (numpy.arange(ncontours)) *\ (dataMax - dataMin)/float(ncontours) contourlinewidth = int(self.config['contourlinewidth'])/10. if self.config['contour'] == 'filled': self._contour = self.axes.contourf(imageData, levels, origin=origin, cmap=ccmap, extent=extent) else: self._contour = self.axes.contour(imageData, levels, origin=origin, cmap=ccmap, linewidths=contourlinewidth, extent=extent) if self.config['contourlabels'] != 'off': self.axes.clabel(self._contour, fontsize=9, inline=1, fmt=self.config['contourlabelformat']) if 0 and self.config['colorbar'] is not None: if barorientation == 'horizontal': barorientation = 'vertical' else: barorientation = 'horizontal' self._ccolorbar=self.figure.colorbar(self._contour, orientation=barorientation, extend='both') self.__postImage(ylim) def getParameters(self): return self.config def setParameters(self, ddict): self.config.update(ddict) self.updateFigure() def setPixmapImage(self, image=None, bgr=False): if image is None: self.pixmapImage = None self.updateFigure() return if bgr: self.pixmapImage = image * 1 self.pixmapImage[:,:,0] = image[:,:,2] self.pixmapImage[:,:,2] = image[:,:,0] else: self.pixmapImage = image shape = self.pixmapImage.shape self.pixmapMask = numpy.ones(shape, numpy.uint8) shape = self.pixmapImage.shape if 0: # This is slow, but I do not expect huge images for i in range(shape[0]): for j in range(shape[1]): if (self.pixmapImage[i,j,0] == 0): if (self.pixmapImage[i,j,1] == 0): if (self.pixmapImage[i,j,2] == 0): self.pixmapMask[i,j,0:3] = [0, 0, 0] else: #the image is RGBA, so the sum when there is nothing is 255 s = self.pixmapImage.sum(axis=-1) self.pixmapMask[s==255, 0:3] = 0 self.updateFigure() def _updatePixmapFigure(self): interpolation = self.config['interpolation'] origin = self.config['origin'] if self.config['extent'] is None: h= self.pixmapImage.shape[0] w= self.pixmapImage.shape[1] x0 = self.config['xorigin'] y0 = self.config['yorigin'] w = w * self.config['xpixelsize'] h = h * self.config['ypixelsize'] if origin == 'upper': extent = (x0, w+x0, h+y0, y0) else: extent = (x0, w+x0, y0, h+y0) else: extent = self.config['extent'] if self.config['imagebackground'].lower() == 'white': if 0: self.pixmapImage[:] = (self.pixmapImage * self.pixmapMask) +\ (self.pixmapMask == 0) * 255 else: self.pixmapImage[self.pixmapMask == 0] = 255 elif self.config['imagebackground'].lower() == 'grey': if 0: self.pixmapImage[:] = (self.pixmapImage * self.pixmapMask) +\ (self.pixmapMask == 0) * 128 else: self.pixmapImage[self.pixmapMask == 0] = 128 else: if 0: self.pixmapImage[:] = (self.pixmapImage * self.pixmapMask) else: self.pixmapImage[self.pixmapMask == 0]= 0 self._image = self.axes.imshow(self.pixmapImage, interpolation=interpolation, origin=origin, extent=extent) ylim = self.axes.get_ylim() self.__postImage(ylim) def __getValueLimits(self): if (self.config['valuemin'] is not None) and\ (self.config['valuemax'] is not None) and\ (self.config['valuemin'] != self.config['valuemax']): vlimits = (self.config['valuemin'], self.config['valuemax']) elif self.config['vlimits'] is not None: vlimits = self.config['vlimits'] else: vlimits = None return vlimits def __postImage(self, ylim): self.axes.set_title(self.config['title']) self.axes.set_xlabel(self.config['xlabel']) self.axes.set_ylabel(self.config['ylabel']) origin = self.config['origin'] if (self.config['zoomxmin'] is not None) and\ (self.config['zoomxmax'] is not None)and\ (self.config['zoomxmax'] != self.config['zoomxmin']): xlimits = (self.config['zoomxmin'], self.config['zoomxmax']) elif self.config['xlimits'] is not None: xlimits = self.config['xlimits'] else: xlimits = None if (self.config['zoomymin'] is not None) and\ (self.config['zoomymax'] is not None) and\ (self.config['zoomymax'] != self.config['zoomymin']): ylimits = (self.config['zoomymin'], self.config['zoomymax']) elif self.config['ylimits'] is not None: ylimits = self.config['ylimits'] else: ylimits = None if ylimits is None: self.axes.set_ylim(ylim[0],ylim[1]) else: ymin = min(ylimits) ymax = max(ylimits) if origin == "lower": self.axes.set_ylim(ymin, ymax) else: self.axes.set_ylim(ymax, ymin) if xlimits is not None: xmin = min(xlimits) xmax = max(xlimits) self.axes.set_xlim(xmin, xmax) self.draw() def test(): app = qt.QApplication([]) a=numpy.arange(256.) a.shape = 8, 32 w = SaveImageSetup(None, a) ddict = w.getParameters() ddict["colorbar"] = "vertical" w.setParameters(ddict) w.show() app.exec_() if __name__ == "__main__": test() PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/StackROIBatchWindow.py0000644000276300001750000001711313136054446022744 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import numpy from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaGui import PyMca_Icons IconDict = PyMca_Icons.IconDict from PyMca5.PyMcaGui import PyMcaFileDialogs DEBUG = 0 class StackROIBatchWindow(qt.QWidget): def __init__(self, parent=None): qt.QWidget.__init__(self, parent) self.setWindowTitle("StackROIBatchWindow") self.setWindowIcon(qt.QIcon(qt.QPixmap(IconDict['gioconda16']))) self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) # configuration file configLabel = qt.QLabel(self) configLabel.setText("ROI Configuration File:") self._configLine = qt.QLineEdit(self) self._configLine.setReadOnly(True) self._configButton = qt.QPushButton(self) self._configButton.setText("Browse") self._configButton.setAutoDefault(False) self._configButton.clicked.connect(self.browseConfigurationFile) # output directory outLabel = qt.QLabel(self) outLabel.setText("Output dir:") self._outLine = qt.QLineEdit(self) self._outLine.setReadOnly(True) self._outButton = qt.QPushButton(self) self._outButton.setText('Browse') self._outButton.setAutoDefault(False) self._outButton.clicked.connect(self.browseOutputDir) # output file name fileLabel = qt.QLabel(self) fileLabel.setText("Output file root:") self._fileLine = qt.QLineEdit(self) self._fileLine.setReadOnly(False) self._fileLine.setText("ROI_images") boxLabel = qt.QLabel(self) boxLabel.setText("Options:") self._boxContainer = qt.QWidget(self) self._boxContainerLayout = qt.QHBoxLayout(self._boxContainer) self._boxContainerLayout.setContentsMargins(0, 0, 0, 0) self._boxContainerLayout.setSpacing(0) # Net ROI self._netBox = qt.QCheckBox(self._boxContainer) self._netBox.setText("Calculate Net ROI") self._netBox.setChecked(True) self._netBox.setEnabled(False) # xAtMax self._xAtMaxBox = qt.QCheckBox(self._boxContainer) self._xAtMaxBox.setText("Image X at Min/Max. Y") self._xAtMaxBox.setChecked(False) self._xAtMaxBox.setEnabled(True) text = "Calculate the channel of the maximum and\n" text += "the minimum value in the region.\n" self._xAtMaxBox.setToolTip(text) # generate tiff files self._tiffBox = qt.QCheckBox(self._boxContainer) self._tiffBox.setText("generate TIFF files") self._tiffBox.setChecked(False) self._tiffBox.setEnabled(True) self._boxContainerLayout.addWidget(self._netBox) self._boxContainerLayout.addWidget(self._xAtMaxBox) self._boxContainerLayout.addWidget(self._tiffBox) self.mainLayout.addWidget(configLabel, 0, 0) self.mainLayout.addWidget(self._configLine, 0, 1) self.mainLayout.addWidget(self._configButton, 0, 2) self.mainLayout.addWidget(outLabel, 1, 0) self.mainLayout.addWidget(self._outLine, 1, 1) self.mainLayout.addWidget(self._outButton, 1, 2) self.mainLayout.addWidget(fileLabel, 2, 0) self.mainLayout.addWidget(self._fileLine, 2, 1) self.mainLayout.addWidget(boxLabel, 3, 0) self.mainLayout.addWidget(self._boxContainer, 3, 1, 1, 1) def sizeHint(self): return qt.QSize(int(1.8 * qt.QWidget.sizeHint(self).width()), qt.QWidget.sizeHint(self).height()) def browseConfigurationFile(self): f = PyMcaFileDialogs.getFileList(parent=self, filetypelist=["Configuration files (*.ini)"], message="Open a ROI configuration file", mode="OPEN", single=True) if len(f): self._configLine.setText(f[0]) def browseOutputDir(self): f = PyMcaFileDialogs.getExistingDirectory(parent=self, message="Please select output directory", mode="OPEN") if len(f): self._outLine.setText(f) def getParameters(self): ddict = {} ddict['configuration'] = qt.safe_str(self._configLine.text()) ddict['output_dir'] = qt.safe_str(self._outLine.text()) ddict['file_root'] = qt.safe_str(self._fileLine.text()) if self._netBox.isChecked(): ddict['net'] = 1 else: ddict['net'] = 0 if self._xAtMaxBox.isChecked(): ddict['xAtMinMax'] = 1 else: ddict['xAtMinMax'] = 0 if self._tiffBox.isChecked(): ddict['tiff'] = 1 else: ddict['tiff'] = 0 return ddict class StackROIBatchDialog(qt.QDialog): def __init__(self, parent=None): qt.QDialog.__init__(self, parent) self.setWindowTitle("Stack ROI Batch Dialog") self.setWindowIcon(qt.QIcon(qt.QPixmap(IconDict['gioconda16']))) self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(10, 10, 10, 10) self.parametersWidget = StackROIBatchWindow(self) self.rejectButton= qt.QPushButton(self) self.rejectButton.setAutoDefault(False) self.rejectButton.setText("Cancel") self.acceptButton= qt.QPushButton(self) self.acceptButton.setAutoDefault(False) self.acceptButton.setText("OK") self.rejectButton.clicked.connect(self.reject) self.acceptButton.clicked.connect(self.accept) self.mainLayout.addWidget(self.parametersWidget, 0, 0, 5, 4) self.mainLayout.addWidget(self.rejectButton, 6, 1) self.mainLayout.addWidget(self.acceptButton, 6, 2) def getParameters(self): return self.parametersWidget.getParameters() if __name__ == "__main__": app = qt.QApplication([]) w = StackROIBatchDialog() ret = w.exec_() if ret: print(w.getParameters()) #app.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/QSpsDataSource.py0000644000276300001750000001261213136054446022033 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2016 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys from PyMca5.PyMcaGui.pymca import QSource from PyMca5.PyMcaCore import SpsDataSource qt = QSource.qt QTVERSION = qt.qVersion() SOURCE_TYPE = SpsDataSource.SOURCE_TYPE class QSpsDataSource(QSource.QSource): """Shared memory source The shared memory source object uses SPS through the SPSWrapper module to get access to shared memory zones created by Spec or Device Servers Emitted signals are : updated """ def __init__(self, sourceName): QSource.QSource.__init__(self) self.__dataSource = SpsDataSource.SpsDataSource(sourceName) #easy speed up by making a local reference self.sourceName = self.__dataSource.sourceName self.isUpdated = self.__dataSource.isUpdated self.sourceType = self.__dataSource.sourceType self.getKeyInfo = self.__dataSource.getKeyInfo self.refresh = self.__dataSource.refresh self.getSourceInfo = self.__dataSource.getSourceInfo def __getattr__(self,attr): if not attr.startswith("__"): #if not hasattr(qt.QObject, attr): if not hasattr(self, attr): try: return getattr(self.__dataSource, attr) except: pass raise AttributeError def getDataObject(self,key_list,selection=None, poll=True): if poll: data = self.__dataSource.getDataObject(key_list,selection) self.addToPoller(data) return data else: return self.__dataSource.getDataObject(key_list,selection) def customEvent(self, event): ddict = event.dict ddict['SourceName'] = self.__dataSource.sourceName ddict['SourceType'] = SOURCE_TYPE key = ddict['Key'] idtolook = [] ddict['selectionlist'] = [] if key in self.surveyDict: for object_ in self.surveyDict[key]: idtolook.append(id(object_)) if key in self.selections.keys(): n = len(self.selections[key]) if n: a = list(range(n)) a.reverse() legendlist = [] for i in a: objectId, info = self.selections[key][i] scanselection = 0 if 'scanselection' in info: scanselection = info['scanselection'] if info['legend'] in legendlist: if not scanselection: del self.selections[key][i] continue if objectId in idtolook: sel = {} sel['SourceName'] = self.__dataSource.sourceName sel['SourceType'] = SOURCE_TYPE sel['Key'] = key sel['selection'] = info['selection'] sel['legend'] = info['legend'] legendlist.append(info['legend']) sel['targetwidgetid'] = info.get('targetwidgetid', None) sel['scanselection'] = info.get('scanselection', False) sel['imageselection'] = info.get('imageselection', False) ddict['selectionlist'].append(sel) #else: del self.selections[key][i] self.sigUpdated.emit(ddict) else: print("No info????") if __name__ == "__main__": try: specname=sys.argv[1] arrayname=sys.argv[2] except: print("Usage: SpsDataSource ") sys.exit() app=qt.QApplication([]) obj = QSpsDataSource(specname) def mytest(ddict): print(ddict['Key']) app.mytest = mytest data = obj.getDataObject(arrayname,poll=True) obj.sigUpdated.connect(mytest) app.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/SumRulesTool.py0000644000276300001750000023575613136054446021627 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2015 T. Rueter, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "Tonn Rueter - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os from os.path import isdir as osPathIsDir from os.path import basename as osPathBasename from os.path import join as osPathJoin import numpy from PyMca5.PyMcaMath.fitting.SpecfitFuns import upstep, downstep from PyMca5.PyMca import PyMcaQt as qt from PyMca5.PyMca import PlotWindow as DataDisplay from PyMca5.PyMca import Elements from PyMca5.PyMca import ConfigDict from PyMca5.PyMca import PyMcaDataDir, PyMcaDirs from PyMca5.PyMca import QSpecFileWidget from PyMca5.PyMca import SpecFileDataSource from PyMca5.PyMcaGui import IconDict if hasattr(qt, "QString"): QString = qt.QString else: QString = str QStringList = list if hasattr(qt, "QStringList"): QStringList = qt.QStringList else: QStringList = list DEBUG = 0 NEWLINE = '\n' class Calculations(object): def __init__(self): pass def cumtrapz(self, y, x=None, dx=1.0): y = y[:] if x is None: x = numpy.arange(len(y), dtype=y.dtype) * dx else: x = x[:] if not numpy.all(numpy.diff(x) > 0.): # assure monotonically increasing x idx = numpy.argsort(x) x = numpy.take(x, idx) y = numpy.take(y, idx) # Avoid dublicates x.ravel() idx = numpy.nonzero(numpy.diff(x) > 0)[0] x = numpy.take(x, idx) y = numpy.take(y, idx) return numpy.cumsum(.5 * numpy.diff(x) * (y[1:] + y[:-1])) def magneticMoment(self, p, q, r, n, econf): """ Input ----- :param p: Integral over the (first) edge of the XMCD (difference) signal :type p: Float :param q: Integral over the (second) edge of the XMCD (difference) signal :type q: Float :param r: Integral over the complete XAS signal :type r: Float :param n: Electron occupation number of the sample material :type n: Float :param econf: Determines if material is of 3d or 4f type and thus the number of electronic states in the outer shell :type econf: String Returns the orbital resp. the spin part of the magnetic moment Paper references: 3d materials: Chen et al., Phys. Rev. Lett., 75(1), 152 4f materials: Krishnamurthy et al., Phys. Rev. B, 79(1), 014426 """ mOrbt, mSpin, mRatio = None, None, None # Check if r is non-zero if r == 0.: raise ZeroDivisionError() # Determine number of states in outer shell if econf == '3d': if DEBUG >= 1: print('Calculations.magneticMoment -- considering 3d material:') print('\tp: %s, q: %s, r:%s'%(str(p),str(q),str(r))) nMax = 10. # Calculate Integrals if q is not None: #mOrbt = abs(-4./3. * q * (nMax - n) / (2.*r)) mOrbt = abs(-2./3. * q * (nMax - n) / r) if (q is not None) and (p is not None): #mSpin = abs((6.*p - 4.*q) * (nMax - n) / (2.*r)) mSpin = abs((3.*p - 2.*q) * (nMax - n) / r) mRatio = abs(2.*q/(9.*p-6.*q)) elif econf == '4f': if DEBUG >= 1: print('Calculations.magneticMoment -- considering 4f material:') print('\tp: %s, q: %s, r:%s'%(str(p),str(q),str(r))) nMax = 14. if q is not None: mOrbt = abs(q * (nMax - n) / r) if (q is not None) and (p is not None) and (r is not None): mSpin = abs((3.*q - 5.*p) * (nMax - n) / (2. * r)) mRatio = mOrbt / mSpin else: raise ValueError('Calculations.magneticMoment -- Element must either be 3d or 4f type!') return mOrbt, mSpin, mRatio class MarkerSpinBox(qt.QDoubleSpinBox): intersectionsChangedSignal = qt.pyqtSignal() def __init__(self, window, plotWindow, label='', parent=None): qt.QDoubleSpinBox.__init__(self, parent) # Attributes self.label = label self.window = window self.plotWindow = plotWindow #self.graph = graph self.markerID = self.plotWindow.insertXMarker(0., legend=label, text=label) # Initialize self.setMinimum(0.) self.setMaximum(10000.) self.setValue(0.) # Connects self.plotWindow.sigPlotSignal.connect(self._handlePlotSignal) self.valueChanged.connect(self._valueChanged) def getIntersections(self): dataList = self.plotWindow.getAllCurves() resDict = {} pos = self.value() if not isinstance(pos, float): return for x, y, legend, info in dataList: res = float('NaN') if numpy.all(pos < x) or numpy.all(x < pos): continue #raise ValueError('Marker outside of data range') if pos in x: idx = numpy.where(x == pos) res = y[idx] else: # Intepolation needed, assume well # behaved data (c.f. copy routine) lesserIdx = numpy.nonzero(x < pos)[0][-1] greaterIdx = numpy.nonzero(x > pos)[0][0] dy = y[lesserIdx] - y[greaterIdx] dx = x[lesserIdx] - x[greaterIdx] res = dy/dx * (pos - x[lesserIdx]) + y[lesserIdx] resDict[legend] = (pos, res) return resDict def hideMarker(self): self.plotWindow.removeMarker(self.label) self.markerID = None def showMarker(self): self.plotWindow.removeMarker(self.label) self.markerID = self.plotWindow.insertXMarker( self.value(), legend=self.label, text=self.label, color='blue', selectable=False, draggable=True) def _setMarkerFollowMouse(self, windowTitle): windowTitle = str(windowTitle) if self.window == windowTitle: # Blue, Marker is active color = 'blue' draggable = True else: # Black, marker is inactive color = 'k' draggable = False # Make shure that the marker is deleted # If marker is not present, removeMarker just passes.. self.markerID = self.plotWindow.insertXMarker( self.value(), legend=self.label, text=self.label, color=color, selectable=False, draggable=draggable) def _handlePlotSignal(self, ddict): if ddict['event'] != 'markerMoving': return if ddict['label'] != self.label: return markerPos = ddict['x'] self.blockSignals(True) self.setValue(markerPos) self.blockSignals(False) self.intersectionsChangedSignal.emit() def _valueChanged(self, val): try: val = float(val) except ValueError: if DEBUG == 1: print('_valueChanged -- Sorry, it ain\'t gonna float: %s'%str(val)) return # Marker of same label as self.label gets replaced.. self.markerID = self.plotWindow.insertXMarker( val, legend=self.label, text=self.label, color='blue', selectable=False, draggable=True) self.intersectionsChangedSignal.emit() class LineEditDisplay(qt.QLineEdit): def __init__(self, controller, ddict=None, unit='', parent=None): qt.QLineEdit.__init__(self, parent) self.setReadOnly(True) self.setAlignment(qt.Qt.AlignRight) if ddict is None: self.ddict = {} else: self.ddict = ddict self.unit = unit self.setMaximumWidth(120) self.controller = controller if isinstance(self.controller, qt.QComboBox): self.controller.currentIndexChanged['QString'].connect(self.setText) elif isinstance(self.controller, qt.QDoubleSpinBox): # Update must be triggered otherwise #self.controller.valueChanged['QString'].connect(self.setText) pass else: raise ValueError('LineEditDisplay: Controller must be of type QComboBox or QDoubleSpinBox') #self.controller.destroyed.connect(self.destroy) def updateDict(self, ddict): # Only relevant if type(controller) == QComboBox self.ddict = ddict def updateUnit(self, unit): self.unit = unit def checkController(self): if isinstance(self.controller, qt.QComboBox): tmp = self.controller.currentText() elif isinstance(self.controller, qt.QDoubleSpinBox): tmp = self.controller.value() else: if DEBUG == 1: print('LineEditDisplay.checkController -- Reached untreated case, setting empty string') tmp = '' self.setText(tmp) def setText(self, inp): inp = str(inp) if isinstance(self.controller, qt.QComboBox): if inp == '': text = '' else: tmp = self.ddict.get(inp,None) if tmp is not None: try: text = '%.2f meV'%(1000. * float(tmp)) except ValueError: text = 'NaN' else: text = '---' elif isinstance(self.controller, qt.QDoubleSpinBox): text = inp + ' ' + self.unit else: if DEBUG == 1: print('LineEditDisplay.setText -- Reached untreated case, setting empty string') text = '' qt.QLineEdit.setText(self, text) class SumRulesWindow(qt.QMainWindow): # Curve labeling __xasBGmodel = 'xas BG model' # Tab names __tabElem = 'element' __tabBG = 'background' __tabInt = 'integration' # Marker names __preMin = 'Pre Min' __preMax = 'Pre Max' __postMin = 'Post Min' __postMax = 'Post Max' __intP = 'p' __intQ = 'q' __intR = 'r' # Lists tabList = [__tabElem, __tabBG, __tabInt] xasMarkerList = [__preMin, __preMax, __postMin, __postMax] xmcdMarkerList = [__intP, __intQ, __intR] edgeMarkerList = [] # Elements with 3d final state transitionMetals = ['Sc', 'Ti', 'V', 'Cr', 'Mn', 'Fe', 'Co', 'Ni', 'Cu'] # Elements with 4f final state rareEarths = ['La', 'Ce', 'Pr', 'Nd', 'Pm', 'Sm', 'Eu', 'Gd', 'Tb', 'Dy', 'Ho', 'Er', 'Tm', 'Yb'] elementsDict = { '' : [], '3d': transitionMetals, '4f': rareEarths } # Electron final states electronConfs = ['3d','4f'] # Occuring Transitions occuringTransitions = ['L3M4', 'L3M5', 'L2M4', 'M5O3','M4O3'] # Signals tabChangedSignal = qt.pyqtSignal('QString') def __init__(self, parent=None): qt.QMainWindow.__init__(self, parent) self.setWindowTitle('Sum Rules Tool') if hasattr(DataDisplay,'PlotWindow'): self.plotWindow = DataDisplay.PlotWindow( parent=self, backend=None, plugins=False, # Hide plugin tool button newplot=False, # Hide mirror active curve, ... functionality roi=False, # No ROI widget control=False, # Hide option button position=True, # Show x,y position display kw={'logx': False, # Hide logarithmic x-scale tool button 'logy': False, # Hide logarithmic y-scale tool button 'flip': False, # Hide whatever this does 'fit': False}) # Hide simple fit tool button self.plotWindow._buildLegendWidget() else: self.plotWindow = DataDisplay.ScanWindow(self) # Hide Buttons in the toolbar if hasattr(self.plotWindow,'scanWindowInfoWidget'): # Get rid of scanInfoWidget self.plotWindow.scanWindowInfoWidget.hide() self.plotWindow.graph.enablemarkermode() # Hide unnecessary buttons in the toolbar toolbarChildren = self.plotWindow.toolBar # QWidget.findChildren() matches # all child widgets with the specified type toolbarButtons = toolbarChildren.findChildren(qt.QToolButton) toolbarButtons[3].hide() # LogX toolbarButtons[4].hide() # LogY toolbarButtons[6].hide() # Simple Fit toolbarButtons[7].hide() # Average Plotted Curves toolbarButtons[8].hide() # Derivative toolbarButtons[9].hide() # Smooth toolbarButtons[11].hide() # Set active to zero toolbarButtons[12].hide() # Subtract active curve toolbarButtons[13].hide() # Save active curve toolbarButtons[14].hide() # Plugins else: self.plotWindow self.__savedConf = False self.__savedData = False # Marker Handling # spinboxDict connects marker movement to spinbox # keys() -> id(MarkerSpinBox) # values() -> MarkerSpinBox self.spinboxDict = {} self.valuesDict = dict( [(item, {}) for item in self.tabList]) # Tab Widget tabIdx = 0 self.tabWidget = qt.QTabWidget() for window in self.tabList: if window == self.__tabElem: # BEGIN sampleGB sampleGB = qt.QGroupBox('Sample definition') sampleLayout = qt.QVBoxLayout() sampleGB.setLayout(sampleLayout) # electron shell combo box self.elementEConfCB = qt.QComboBox() self.elementEConfCB.setMinimumWidth(100) self.elementEConfCB.addItems(['']+self.electronConfs) self.elementEConfCB.currentIndexChanged['QString'].connect(self.setElectronConf) elementEConfLayout = qt.QHBoxLayout() elementEConfLayout.setContentsMargins(0,0,0,0) elementEConfLayout.addWidget(qt.QLabel('Electron configuration')) elementEConfLayout.addWidget(qt.HorizontalSpacer()) elementEConfLayout.addWidget(self.elementEConfCB) elementEConfWidget = qt.QWidget() elementEConfWidget.setLayout(elementEConfLayout) sampleLayout.addWidget(elementEConfWidget) # Element selection combo box self.elementCB = qt.QComboBox() self.elementCB.setMinimumWidth(100) self.elementCB.addItems(['']) self.elementCB.currentIndexChanged['QString'].connect(self.getElementInfo) elementLayout = qt.QHBoxLayout() elementLayout.setContentsMargins(0,0,0,0) elementLayout.addWidget(qt.QLabel('Element')) elementLayout.addWidget(qt.HorizontalSpacer()) elementLayout.addWidget(self.elementCB) elementWidget = qt.QWidget() elementWidget.setLayout(elementLayout) sampleLayout.addWidget(elementWidget) # electron occupation number self.electronOccupation = qt.QLineEdit('e.g. 3.14') self.electronOccupation.setMaximumWidth(120) electronOccupationValidator = qt.QDoubleValidator(self.electronOccupation) electronOccupationValidator.setBottom(0.) electronOccupationValidator.setTop(14.) self.electronOccupation.setValidator(electronOccupationValidator) electronOccupationLayout = qt.QHBoxLayout() electronOccupationLayout.setContentsMargins(0,0,0,0) electronOccupationLayout.addWidget(qt.QLabel('Electron Occupation Number')) electronOccupationLayout.addWidget(qt.HorizontalSpacer()) electronOccupationLayout.addWidget(self.electronOccupation) electronOccupationWidget = qt.QWidget() electronOccupationWidget.setLayout(electronOccupationLayout) sampleLayout.addWidget(electronOccupationWidget) # END sampleGB # BEGIN absorptionGB: X-ray absorption edge # selection combo box by transition (L3M1, etc.) absorptionGB = qt.QGroupBox('X-ray absorption edges') absorptionLayout = qt.QVBoxLayout() absorptionGB.setLayout(absorptionLayout) self.edge1CB = qt.QComboBox() self.edge1CB.setMinimumWidth(100) self.edge1CB.addItems(['']) self.edge1Line = LineEditDisplay(self.edge1CB) edge1Layout = qt.QHBoxLayout() edge1Layout.setContentsMargins(0,0,0,0) edge1Layout.addWidget(qt.QLabel('Edge 1')) edge1Layout.addWidget(qt.HorizontalSpacer()) edge1Layout.addWidget(self.edge1CB) edge1Layout.addWidget(self.edge1Line) edge1Widget = qt.QWidget() edge1Widget.setLayout(edge1Layout) absorptionLayout.addWidget(edge1Widget) self.edge2CB = qt.QComboBox() self.edge2CB.setMinimumWidth(100) self.edge2CB.addItems(['']) self.edge2Line = LineEditDisplay(self.edge2CB) edge2Layout = qt.QHBoxLayout() edge2Layout.setContentsMargins(0,0,0,0) edge2Layout.addWidget(qt.QLabel('Edge 2')) edge2Layout.addWidget(qt.HorizontalSpacer()) edge2Layout.addWidget(self.edge2CB) edge2Layout.addWidget(self.edge2Line) edge2Widget = qt.QWidget() edge2Widget.setLayout(edge2Layout) absorptionLayout.addWidget(edge2Widget) absorptionLayout.setAlignment(qt.Qt.AlignTop) # END absorptionGB # Combine sampleGB & absorptionGB in one Line topLineLayout = qt.QHBoxLayout() topLineLayout.setContentsMargins(0,0,0,0) topLineLayout.addWidget(sampleGB) topLineLayout.addWidget(absorptionGB) topLine = qt.QWidget() topLine.setLayout(topLineLayout) # BEGIN tab layouting elementTabLayout = qt.QVBoxLayout() elementTabLayout.setContentsMargins(1,1,1,1) elementTabLayout.addWidget(topLine) elementTabLayout.addWidget(qt.VerticalSpacer()) elementTabWidget = qt.QWidget() elementTabWidget.setLayout(elementTabLayout) self.tabWidget.addTab( elementTabWidget, window.upper()) self.tabWidget.setTabToolTip(tabIdx, 'Shortcut: F2\n' +'Define sample element here') # END tab layouting self.valuesDict[self.__tabElem]\ ['element'] = self.elementCB self.valuesDict[self.__tabElem]\ ['electron configuration'] = self.elementEConfCB self.valuesDict[self.__tabElem]\ ['electron occupation'] = self.electronOccupation self.valuesDict[self.__tabElem]\ ['edge1Transition'] = self.edge1CB self.valuesDict[self.__tabElem]\ ['edge2Transition'] = self.edge2CB self.valuesDict[self.__tabElem]\ ['edge1Energy'] = self.edge1Line self.valuesDict[self.__tabElem]\ ['edge2Energy'] = self.edge2Line self.valuesDict[self.__tabElem]['info'] = {} elif window == self.__tabBG: # BEGIN Pre/Post edge group box prePostLayout = qt.QGridLayout() prePostLayout.setContentsMargins(1,1,1,1) for idx, markerLabel in enumerate(self.xasMarkerList): # Estimate intial xpos by estimateInt markerWidget, spinbox = self.addMarker(window=window, label=markerLabel, xpos=0., unit='[eV]') self.valuesDict[self.__tabBG][markerLabel] = spinbox if idx == 0: posx, posy = 0,0 markerWidget.setContentsMargins(0,0,0,-8) elif idx == 1: posx, posy = 1,0 markerWidget.setContentsMargins(0,-8,0,0) elif idx == 2: posx, posy = 0,1 markerWidget.setContentsMargins(0,0,0,-8) elif idx == 3: posx, posy = 1,1 markerWidget.setContentsMargins(0,-8,0,0) else: raise IndexError('Index out of bounds: %d -> %s'\ %(idx, markerLabel)) prePostLayout.addWidget(markerWidget, posx, posy) prePostGB = qt.QGroupBox('Pre/Post edge') prePostGB.setLayout(prePostLayout) # END Pre/Post edge group box # BEGIN Edge group box numberOfEdges = 2 edgeLayout = qt.QVBoxLayout() edgeLayout.setContentsMargins(1,1,1,1) for idx in range(numberOfEdges): markerLabel = 'Edge %d'%(idx+1) self.edgeMarkerList += [markerLabel] markerWidget, spinbox = self.addMarker(window=window, label=markerLabel, xpos=0., unit='[eV]') self.valuesDict[self.__tabBG][markerLabel] = spinbox if idx == 0: markerWidget.setContentsMargins(0,0,0,-8) elif idx == (numberOfEdges-1): markerWidget.setContentsMargins(0,-8,0,0) else: markerWidget.setContentsMargins(0,-8,0,-8) edgeLayout.addWidget(markerWidget) markerWidget.setEnabled(False) edgeGB = qt.QGroupBox('Edge positions') edgeGB.setLayout(edgeLayout) # END Edge group box # BEGIN Background model group box stepRatio = qt.QDoubleSpinBox() stepRatio.setMaximumWidth(100) stepRatio.setAlignment(qt.Qt.AlignRight) stepRatio.setMinimum(0.) stepRatio.setMaximum(1.) stepRatio.setSingleStep(.025) stepRatio.setValue(.5) stepRatioLayout = qt.QHBoxLayout() stepRatioLayout.addWidget(qt.QLabel('Step ratio')) stepRatioLayout.addWidget(qt.HorizontalSpacer()) stepRatioLayout.addWidget(stepRatio) stepRatioWidget = qt.QWidget() stepRatioWidget.setContentsMargins(0,0,0,-8) stepRatioWidget.setLayout(stepRatioLayout) stepWidth = qt.QDoubleSpinBox() stepWidth.setMaximumWidth(100) stepWidth.setAlignment(qt.Qt.AlignRight) stepWidth.setMinimum(0.) stepWidth.setMaximum(1000.) stepWidth.setSingleStep(0.05) stepWidth.setValue(.0) # Start with step function stepWidthLayout = qt.QHBoxLayout() stepWidthLayout.addWidget(qt.QLabel('Step width [eV]')) stepWidthLayout.addWidget(qt.HorizontalSpacer()) stepWidthLayout.addWidget(stepWidth) stepWidthWidget = qt.QWidget() stepWidthWidget.setContentsMargins(0,-8,0,0) stepWidthWidget.setLayout(stepWidthLayout) fitControlLayout = qt.QVBoxLayout() fitControlLayout.addWidget(stepRatioWidget) fitControlLayout.addWidget(stepWidthWidget) fitControlGB = qt.QGroupBox('Background model control') fitControlGB.setLayout(fitControlLayout) # END Background model group box # Combine edge position and background model in single line sndLine = qt.QWidget() sndLineLayout = qt.QHBoxLayout() sndLineLayout.setContentsMargins(1,1,1,1) sndLine.setLayout(sndLineLayout) sndLineLayout.addWidget(edgeGB) sndLineLayout.addWidget(fitControlGB) # Insert into tab backgroundTabLayout = qt.QVBoxLayout() backgroundTabLayout.setContentsMargins(1,1,1,1) backgroundTabLayout.addWidget(prePostGB) backgroundTabLayout.addWidget(sndLine) backgroundTabLayout.addWidget(qt.VerticalSpacer()) backgroundWidget = qt.QWidget() backgroundWidget.setLayout(backgroundTabLayout) self.tabWidget.addTab( backgroundWidget, window.upper()) self.tabWidget.setTabToolTip(tabIdx, 'Shortcut: F3\n' +'Model background here.') stepRatio.valueChanged['double'].connect(self.estimateBG) stepWidth.valueChanged['double'].connect(self.estimateBG) self.valuesDict[self.__tabBG]\ ['Step Ratio'] = stepRatio self.valuesDict[self.__tabBG]\ ['Step Width'] = stepWidth elif window == self.__tabInt: # BEGIN Integral marker groupbox pqLayout = qt.QVBoxLayout() pqLayout.setContentsMargins(0,-8,0,-8) for markerLabel in self.xmcdMarkerList: markerWidget, spinbox = self.addMarker(window=window, label=markerLabel, xpos=0., unit='[eV]') self.valuesDict[self.__tabInt][markerLabel] = spinbox if markerLabel == self.xmcdMarkerList[0]: markerWidget.setContentsMargins(0,0,0,-8) elif markerLabel == self.xmcdMarkerList[-1]: # Last widget gets more content margin # at the bottom markerWidget.setContentsMargins(0,-8,0,0) else: markerWidget.setContentsMargins(0,-8,0,-8) integralVal = qt.QLineEdit() integralVal.setReadOnly(True) integralVal.setMaximumWidth(120) valLabel = qt.QLabel('Integral Value:') mwLayout = markerWidget.layout() mwLayout.addWidget(valLabel) mwLayout.addWidget(integralVal) pqLayout.addWidget(markerWidget) #spinbox.valueChanged.connect(self.calcMagneticMoments) spinbox.intersectionsChangedSignal.connect(self.calcMagneticMoments) key = 'Integral ' + markerLabel self.valuesDict[self.__tabInt][key] = integralVal pqGB = qt.QGroupBox('XAS/XMCD integrals') pqGB.setLayout(pqLayout) # END Integral marker groupbox # BEGIN magnetic moments groupbox mmLayout = qt.QVBoxLayout() mmLayout.setContentsMargins(0,-8,0,-8) text = 'Spin Magnetic Moment' mmLineLayout = qt.QHBoxLayout() self.mmSpin = qt.QLineEdit() self.mmSpin.setReadOnly(True) self.mmSpin.setMaximumWidth(120) mmLineLayout.addWidget(qt.QLabel(text)) mmLineLayout.addWidget(qt.HorizontalSpacer()) mmLineLayout.addWidget(qt.QLabel('mS = ')) mmLineLayout.addWidget(self.mmSpin) mmLineWidget = qt.QWidget() mmLineWidget.setLayout(mmLineLayout) mmLineWidget.setContentsMargins(0,0,0,-8) mmLayout.addWidget(mmLineWidget) text = 'Orbital Magnetic Moment' mmLineLayout = qt.QHBoxLayout() self.mmOrbt = qt.QLineEdit() self.mmOrbt.setReadOnly(True) self.mmOrbt.setMaximumWidth(120) mmLineLayout.addWidget(qt.QLabel(text)) mmLineLayout.addWidget(qt.HorizontalSpacer()) mmLineLayout.addWidget(qt.QLabel('mO = ')) mmLineLayout.addWidget(self.mmOrbt) mmLineWidget = qt.QWidget() mmLineWidget.setLayout(mmLineLayout) mmLineWidget.setContentsMargins(0,-8,0,-8) mmLayout.addWidget(mmLineWidget) text = 'Ratio Magnetic Moments' mmLineLayout = qt.QHBoxLayout() self.mmRatio = qt.QLineEdit() self.mmRatio.setReadOnly(True) self.mmRatio.setMaximumWidth(120) mmLineLayout.addWidget(qt.QLabel(text)) mmLineLayout.addWidget(qt.HorizontalSpacer()) mmLineLayout.addWidget(qt.QLabel('mO/mS = ')) mmLineLayout.addWidget(self.mmRatio) mmLineWidget = qt.QWidget() mmLineWidget.setLayout(mmLineLayout) mmLineWidget.setContentsMargins(0,-8,0,0) mmLayout.addWidget(mmLineWidget) mmGB = qt.QGroupBox('Magnetic moments') mmGB.setLayout(mmLayout) # END magnetic moments groupbox # Combine Integral marker groupbox and # magnetic moments groupbox in single line topLineLayout = qt.QHBoxLayout() topLineLayout.setContentsMargins(0,0,0,0) topLineLayout.addWidget(pqGB) topLineLayout.addWidget(mmGB) topLine = qt.QWidget() topLine.setLayout(topLineLayout) # BEGIN XMCD correction self.xmcdDetrend = qt.QCheckBox() self.xmcdDetrend.stateChanged['int'].connect(self.triggerDetrend) xmcdDetrendLayout = qt.QHBoxLayout() #xmcdDetrendLayout.setContentsMargins(0,0,0,1) xmcdDetrendLayout.addWidget(qt.QLabel( 'Detrend XMCD Signal (Subtracts linear fit of pre-edge Region from the signal)')) xmcdDetrendLayout.addWidget(qt.HorizontalSpacer()) xmcdDetrendLayout.addWidget(self.xmcdDetrend) xmcdDetrendWidget = qt.QWidget() xmcdDetrendWidget.setLayout(xmcdDetrendLayout) xmcdDetrendGB = qt.QGroupBox('XMCD Data Preprocessing') xmcdDetrendGB.setLayout(xmcdDetrendLayout) xmcdDetrendLayout.addWidget(xmcdDetrendWidget) # END XMCD correction xmcdTabLayout = qt.QVBoxLayout() xmcdTabLayout.setContentsMargins(2,2,2,2) xmcdTabLayout.addWidget(topLine) xmcdTabLayout.addWidget(xmcdDetrendGB) xmcdTabLayout.addWidget(qt.VerticalSpacer()) xmcdWidget = qt.QWidget() xmcdWidget.setLayout(xmcdTabLayout) self.tabWidget.addTab( xmcdWidget, window.upper()) self.tabWidget.setTabToolTip(tabIdx, 'Shortcut: F4\n' +'Assign Markers p, q and r here') self.valuesDict[self.__tabInt]\ ['Orbital Magnetic Moment'] = self.mmOrbt self.valuesDict[self.__tabInt]\ ['Spin Magnetic Moment'] = self.mmSpin self.valuesDict[self.__tabInt]\ ['Ratio Magnetic Moments'] = self.mmRatio self.valuesDict[self.__tabInt]\ ['XMCD Detrend'] = self.xmcdDetrend tabIdx += 1 # END TabWidget # Add to self.valuesDict self.tabWidget.currentChanged['int'].connect( self._handleTabChangedSignal) # Estimate button in bottom of plot window layout self.buttonEstimate = qt.QPushButton('Estimate', self) self.buttonEstimate.setToolTip( 'Shortcut: CRTL+E\n' +'Depending on the tab, estimate either the pre/post\n' +'edge regions and edge positions or the positions of\n' +'the p, q and r markers.') self.buttonEstimate.setShortcut(qt.Qt.CTRL+qt.Qt.Key_E) self.buttonEstimate.clicked.connect(self.estimate) self.buttonEstimate.setEnabled(False) self.plotWindow.toolBar.addSeparator() self.plotWindow.toolBar.addWidget(self.buttonEstimate) self.plotWindow.sigPlotSignal.connect(self._handlePlotSignal) # Layout mainWidget = qt.QWidget() mainLayout = qt.QVBoxLayout() mainLayout.addWidget(self.plotWindow) mainLayout.addWidget(self.tabWidget) mainLayout.setContentsMargins(1,1,1,1) mainWidget.setLayout(mainLayout) self.setCentralWidget(mainWidget) # # Data handling: # # Each is Tuple (x,y) # type(x),type(y) == ndarray self.xmcdData = None # XMCD Spectrum self.xasData = None # XAS Spectrum self.xasDataCorr = None # XAS minus Background model self.xasDataBG = None # XAS Backgrouns self.xmcdCorrData = None # Integrated spectra: Notice that the shape # diminished by one.. self.xmcdInt = None self.xasInt = None # # File (name) handling # self.dataInputFilename = None self.confFilename = None self.baseFilename = None self._createMenuBar() def _createMenuBar(self): # Creates empty menu bar, if none existed before menu = self.menuBar() menu.clear() # # 'File' Menu # ffile = menu.addMenu('&File') openAction = qt.QAction('&Open Spec File', self) openAction.setShortcut(qt.Qt.CTRL+qt.Qt.Key_O) openAction.setStatusTip('Opened file') openAction.setToolTip('Opens a data file (*.spec)') openAction.triggered.connect(self.loadData) loadAction = qt.QAction('&Load Configuration', self) loadAction.setShortcut(qt.Qt.CTRL+qt.Qt.Key_L) loadAction.setStatusTip('Loaded analysis file') loadAction.setToolTip('Loads an existing analysis file (*.sra)') loadAction.triggered.connect(self.loadConfiguration) saveConfAction = qt.QAction('&Save Configuration', self) saveConfAction.setShortcut(qt.Qt.CTRL+qt.Qt.Key_S) saveConfAction.setStatusTip('Saved analysis file') saveConfAction.setToolTip('Save analysis in file (*.sra)') saveConfAction.triggered.connect(self.saveConfiguration) saveConfAsAction = qt.QAction('Save &Configuration as', self) saveConfAsAction.setShortcut(qt.Qt.SHIFT+qt.Qt.CTRL+qt.Qt.Key_S) saveConfAsAction.setStatusTip('Saved analysis file') saveConfAsAction.setToolTip('Save analysis in file (*.sra)') saveConfAsAction.triggered.connect(self.saveConfigurationAs) saveDataAction = qt.QAction('Save &Data', self) saveDataAction.setShortcut(qt.Qt.CTRL+qt.Qt.Key_D) saveDataAction.setStatusTip('Saved analysis file') saveDataAction.setToolTip('Save analysis in file (*.sra)') saveDataAction.triggered.connect(self.saveData) saveDataAsAction = qt.QAction('Save D&ata as', self) saveDataAsAction.setShortcut(qt.Qt.SHIFT+qt.Qt.CTRL+qt.Qt.Key_D) saveDataAsAction.setStatusTip('Saved analysis file') saveDataAsAction.setToolTip('Save analysis in file (*.sra)') saveDataAsAction.triggered.connect(self.saveDataAs) # Populate the 'File' menu for action in [openAction, loadAction, 'sep', saveConfAction, saveConfAsAction, 'sep', saveDataAction, saveDataAsAction, 'sep']: if isinstance(action, qt.QAction): ffile.addAction(action) else: ffile.addSeparator() ffile.addAction('E&xit', self.close) # # 'Help' Menu # hhelp = menu.addMenu('&Help') showHelpFileAction = qt.QAction('Show &documentation', self) showHelpFileAction.setShortcut(qt.Qt.Key_F1) showHelpFileAction.setStatusTip('') showHelpFileAction.setToolTip('Opens the documentation (html-file) in the systems native web browser') showHelpFileAction.triggered.connect(self.showInfoWindow) # Populate the 'Help' menu hhelp.addAction(showHelpFileAction) def showInfoWindow(self): """ Opens a web browser and displays the help file """ fileName = osPathJoin(PyMcaDataDir.PYMCA_DOC_DIR, "HTML", "SumRulesToolInfotext.html") helpFileName = qt.QDir(fileName) if not qt.QDesktopServices.openUrl(qt.QUrl(helpFileName.absolutePath())): os.system('"%s"' % fileName) def triggerDetrend(self, state): if (state == qt.Qt.Unchecked) or\ (state == qt.Qt.PartiallyChecked): # Replot original data self.xmcdCorrData = None else: ddict = self.getValuesDict() if self.xmcdData is None: return x, y = self.xmcdData preMin = ddict[self.__tabBG][self.__preMin] preMax = ddict[self.__tabBG][self.__preMax] mask = numpy.nonzero((preMin <= x) & (x <= preMax))[0] xFit = x.take(mask) yFit = y.take(mask) if (len(xFit) == 0) or (len(yFit) == 0): return # Fit linear model y = a*x + b a, b = numpy.polyfit(xFit, yFit, 1) trend = a*x + b self.xmcdCorrData = (x, y-trend) if self.getCurrentTab() == self.__tabInt: self.plotOnDemand(self.__tabInt) self.calcMagneticMoments() def calcMagneticMoments(self): ddict = self.valuesDict pqr = [] mathObj = Calculations() for marker in self.xmcdMarkerList: if marker in [self.__intP, self.__intQ]: if self.xmcdCorrData is not None: curve = 'xmcd corr Int' else: curve = 'xmcd Int' else: curve = 'xas Int' spinbox = ddict[self.__tabInt][marker] integralVals = spinbox.getIntersections() x, y = integralVals.get(curve, (float('NaN'),float('NaN'))) key = 'Integral ' + marker lineEdit = ddict[self.__tabInt][key] lineEdit.setText(str(y)) pqr += [y] p, q, r = pqr electronOccupation = ddict[self.__tabElem]['electron occupation'] try: n = float(electronOccupation.text()) except ValueError: if DEBUG == 1: print('calcMM -- Could not convert electron occupation') return electronConfiguration = ddict[self.__tabElem]['electron configuration'] econf = str(electronConfiguration.currentText()) try: mmO, mmS, mmR = mathObj.magneticMoment(p,q,r,n,econf) except ValueError as e: if DEBUG == 1: print(e) mmO, mmS, mmR = 3*['---'] self.mmOrbt.setText(str(mmO)) self.mmSpin.setText(str(mmS)) self.mmRatio.setText(str(mmR)) def loadData(self): dial = LoadDichorismDataDialog() dial.setDirectory(PyMcaDirs.outputDir) if dial.exec_(): dataDict = dial.dataDict else: return # Reset calculated data self.xasDataCorr = None self.xasDataBG = None self.xmcdCorrData = None self.xmcdInt = None self.xasInt = None x = dataDict['x'] xas = dataDict['xas'] xmcd = dataDict['xmcd'] self.dataInputFilename = dataDict['fn'] self.setRawData(x, xas, 'xas') self.setRawData(x, xmcd, 'xmcd') def saveDataAs(self): self.baseFilename = None self.__savedData = False self.saveData() def saveData(self): # Saves spectral data that is calculated during # the evaluation process: # First scan: XAS BG-Modell XAS-BG # Second scan: XAS/XMCD integrals dataList = [self.xasData, self.xasDataCorr, self.xasDataBG, self.xmcdInt, self.xasInt] if None in dataList: msg = qt.QMessageBox() msg.setWindowTitle('Sum Rules Analysis Error') msg.setIcon(qt.QMessageBox.Warning) msg.setText('Analysis incomplete!\nCannot save generated data') msg.exec_() return False if self.__savedData and self.baseFilename: pass else: ddict = self.getValuesDict() saveDir = PyMcaDirs.outputDir filters = 'spec File (*.spec);;All files (*.*)' baseFilename = qt.QFileDialog.getSaveFileName(self, 'Save Sum Rule Analysis Data', saveDir, filters) if len(baseFilename) == 0: # Leave self.baseFilename as it is.. #self.baseFilename = None return False else: self.baseFilename = str(baseFilename) if not self.baseFilename.endswith('.spec'): # Append extension later self.baseFilename += '.spec' # Create filenames specFilename = self.baseFilename baseName = osPathBasename(self.dataInputFilename) self.__savedData = False # Acquire filehandle try: specFilehandle = open(specFilename, 'wb') except IOError: msg = qt.QMessageBox() msg.setWindowTitle('Sum Rules Analysis Error') msg.setIcon(qt.QMessageBox.Warning) msg.setText('Unable to open file \'%s\''%specFilename) msg.exec_() return False delim = ' ' # 1. Background Modell, XAS, XAS-Background # All share the same x-range xSpec, yXas = self.xasData xSpec, yBG = self.xasDataBG xSpec, yXasBG = self.xasDataCorr if self.xmcdCorrData: xInt, yXmcd = self.xmcdCorrData else: xInt, yXmcd = self.xmcdData dataSpec = numpy.vstack((xSpec, yXas, yBG, yXasBG, yXmcd)).T # 2. Integrals # Also share the same x-range xInt, yXasInt = self.xasInt xInt, yXmcdInt = self.xmcdInt dataInt = numpy.vstack((xInt, yXasInt, yXmcdInt)).T # Construct spectra output outSpec = '' outSpec += (NEWLINE + '#S 1 XAS data %s'%baseName + NEWLINE) outSpec += ('#N %d'%5 + NEWLINE) if self.xmcdCorrData: outSpec += ('#L x XAS Background model XAS corrected XMCD corrected' + NEWLINE) else: outSpec += ('#L x XAS Background model XAS corrected XMCD' + NEWLINE) for line in dataSpec: tmp = delim.join(['%f'%num for num in line]) outSpec += (tmp + NEWLINE) outSpec += (NEWLINE) # Construct integral output outInt = '' outInt += ('#S 2 Integral data %s'%baseName + NEWLINE) outInt += ('#N %d'%3 + NEWLINE) if self.xmcdCorrData: outInt += ('#L x XAS Int XMCD Int' + NEWLINE) else: outInt += ('#L x XAS Int XMCD Int corrected' + NEWLINE) for line in dataInt: tmp = delim.join(['%f'%num for num in line]) outInt += (tmp + NEWLINE) outInt += (NEWLINE) for output in [outSpec, outInt]: specFilehandle.write(output.encode('ascii')) specFilehandle.close() self.__savedData = True return True def saveConfigurationAs(self, shortcut=False): self.confFilename = None self.__savedConf = False self.saveConfiguration() def saveConfiguration(self): ddict = self.getValuesDict() if self.__savedConf and self.confFilename: filename = self.confFilename else: saveDir = PyMcaDirs.outputDir filters = 'Sum Rules Analysis files (*.sra);;All files (*.*)' filename = qt.QFileDialog.getSaveFileName(self, 'Save Sum Rule Analysis Configuration', saveDir, filters) if len(filename) == 0: return False else: filename = str(filename) if not filename.endswith('.sra'): filename += '.sra' self.confFilename = filename self.__savedConf = False confDict = ConfigDict.ConfigDict(self.getValuesDict()) try: confDict.write(filename) except IOError: msg = qt.QMessageBox() msg.setWindowTitle('Sum Rules Analysis Error') msg.setIcon(qt.QMessageBox.Warning) msg.setText('Unable to write configuration to \'%s\''%filename) msg.exec_() return False self.__savedConf = True return True def loadConfiguration(self): confDict = ConfigDict.ConfigDict() loadDir = PyMcaDirs.outputDir filters = 'Sum Rules Analysis files (*.sra);;All files (*.*)' filename = qt.QFileDialog.getOpenFileName(self, 'Load Sum Rule Analysis Configuration', loadDir, filters) if type(filename) in [type(list()), type(tuple())]: if len(filename): filename = filename[0] if len(filename) == 0: return else: filename = str(filename) try: confDict.read(filename) except IOError: msg = qt.QMessageBox() msg.setWindowTitle('Sum Rules Analysis Error') msg.setIcon(qt.QMessageBox.Warning) msg.setText('Unable to read configuration file \'%s\''%filename) return try: self.setValuesDict(confDict) #keysLoaded = confDict.keys() #keysValues = self.valuesDict.keys() except KeyError as e: if DEBUG: print('loadConfiguration -- Key Error in \'%s\''%filename) print('\tMessage:', e) else: msg = qt.QMessageBox() msg.setWindowTitle('Sum Rules Analysis Error') msg.setIcon(qt.QMessageBox.Warning) msg.setText('Malformed configuration file \'%s\''%filename) return self.__savedConf = True def close(self): if not self.__savedConf: msg = qt.QMessageBox() msg.setWindowTitle('Sum Rules Tool') msg.setIcon(qt.QMessageBox.Warning) msg.setText('The configuration has changed!\nAre you shure you want to close the window?') msg.setStandardButtons(qt.QMessageBox.Cancel | qt.QMessageBox.Discard) if msg.exec_() == qt.QMessageBox.Cancel: return qt.QMainWindow.close(self) def setElectronConf(self, eConf): eConf = str(eConf) if len(eConf) == 0: self.electronOccupation.setDisabled(True) else: self.electronOccupation.setDisabled(False) # updates the element combo box self.elementCB.clear() elementsList = self.elementsDict[eConf] self.elementCB.addItems(['']+elementsList) def getElementInfo(self, symbol): ddict = {} symbol = str(symbol) if len(symbol) == 0: self.valuesDict[self.__tabElem]['info'] = {} return try: ddict = Elements.Element[symbol] except KeyError: msg = ('setElement -- \'%s\' not found in '%symbol) msg += 'Elements.Element dictionary' print(msg) # Update valuesDict self.valuesDict[self.__tabElem]['info'] = ddict # Update the EdgeCBs # Lookup all keys ending in 'xrays' keys = [item for item in ddict.keys() if item.endswith('xrays')] keys.sort() # keys is list of list, flatten it.. transitions = sum([ddict[key] for key in keys],[]) # Only take transitions that occur in the experiment transitions = [t for t in transitions if t in self.occuringTransitions] tmpDict = dict( [(transition, ddict[transition]['energy']) for transition in transitions]) for cb, ed in [(self.edge1CB, self.edge1Line), (self.edge2CB, self.edge2Line)]: curr = cb.currentText() cb.clear() ed.clear() ed.updateDict(tmpDict) cb.addItems(['']+transitions) # Try to set to old entry idx = cb.findText(QString(curr)) if idx < 0: idx = 0 cb.setCurrentIndex(idx) def getCurrentTab(self): idx = self.tabWidget.currentIndex() return self.tabList[idx] def getValuesDict(self): ddict = {} for tab, tabDict in self.valuesDict.items(): if tab not in ddict.keys(): ddict[tab] = {} for key, obj in tabDict.items(): value = None if isinstance(obj, MarkerSpinBox): value = obj.value() elif isinstance(obj, qt.QCheckBox): state = obj.checkState() if state == qt.Qt.Checked: value = True else: # Also covers state == qt.Qt.PartiallyChecked value = False elif isinstance(obj, qt.QComboBox): tmp = obj.currentText() value = str(tmp) elif isinstance(obj, LineEditDisplay) or\ isinstance(obj, qt.QLineEdit): tmp = str(obj.text()) try: value = float(tmp) except ValueError: value = tmp elif isinstance(obj, qt.QDoubleSpinBox): value = obj.value() elif isinstance(obj, dict): value = obj ddict[tab][key] = value return ddict def setValuesDict(self, ddict): markerList = (self.xasMarkerList + self.xmcdMarkerList) elementList = (self.transitionMetals + self.rareEarths + self.electronConfs) # Check as early as possible if element symbol is present try: symbol = ddict[self.__tabElem]['element'] self.getElementInfo(symbol) except KeyError: pass for tab, tabDict in ddict.items(): if tab not in self.valuesDict.keys(): raise KeyError('setValuesDict -- Tab not found') for key, value in tabDict.items(): if not isinstance(key, str): raise KeyError('setValuesDict -- Key is not str instance') obj = self.valuesDict[tab][key] if isinstance(obj, MarkerSpinBox): try: tmp = float(value) obj.setValue(tmp) except ValueError: if hasattr(self.plotWindow,'graph'): xmin, xmax = self.plotWindow.graph.getX1AxisLimits() else: xmin, xmax = self.plotWindow.getGraphXLimits() tmp = xmin + (xmax-xmin)/10. if DEBUG: msg = 'setValuesDict -- Float conversion failed' msg += ' while setting marker positions. Value:', value print(msg) elif isinstance(obj, qt.QCheckBox): if value == 'True': state = qt.Qt.Checked else: state = qt.Qt.Unchecked obj.setCheckState(state) elif isinstance(obj, qt.QDoubleSpinBox): try: tmp = float(value) obj.setValue(tmp) except ValueError: if DEBUG: msg = 'setValuesDict -- Float conversion failed' msg += ' while setting QDoubleSpinBox value. Value:', value print(msg) elif isinstance(obj, qt.QComboBox): idx = obj.findText(QString(value)) obj.setCurrentIndex(idx) elif isinstance(obj, LineEditDisplay): # Must be before isinstance(obj, qt.QLineEdit) # since LineEditDisplay inherits from QLineEdit obj.checkController() elif isinstance(obj, qt.QLineEdit): if value: tmp = str(value) obj.setText(tmp) else: obj.setText('???') elif isinstance(obj, dict): obj = value else: raise KeyError('setValuesDict -- \'%s\' not found'%key) # In case electron shell is set after element.. try: symbol = ddict[self.__tabElem]['element'] cb = self.valuesDict[self.__tabElem]['element'] idx = cb.findText(QString(symbol)) cb.setCurrentIndex(idx) except KeyError: pass def setRawData(self, x, y, identifier): if identifier not in ['xmcd', 'xas']: msg = 'Identifier must either be \'xmcd\' or \'xas\'' raise ValueError(msg) # Sort energy range sortedIdx = x.argsort() xSorted = x.take(sortedIdx)[:] ySorted = y.take(sortedIdx)[:] # Ensure strictly monotonically increasing energy range dx = numpy.diff(x) if not numpy.all(dx > 0.): mask = numpy.nonzero(dx) xSorted = numpy.take(xSorted, mask) ySorted = numpy.take(ySorted, mask) # Add spectrum to plotWindow using the if identifier == 'xmcd': self.xmcdData = (xSorted, ySorted) #self.plotWindow.graph.mapToY2(intLegend) elif identifier == 'xas': self.xasData = (xSorted, ySorted) # Trigger replot when data is added currIdx = self.tabWidget.currentIndex() self._handleTabChangedSignal(currIdx) def estimate(self): tab = self.getCurrentTab() if tab == self.__tabBG: self.estimatePrePostEdgePositions() elif tab == self.__tabInt: self.estimateInt() else: # Do nothing pass return def estimatePrePostEdgePositions(self): if self.xasData is None: return ddict = self.getValuesDict() edgeList = [ddict[self.__tabElem]['edge1Energy'], ddict[self.__tabElem]['edge2Energy']] filterEdgeList = lambda inp:\ float(inp.replace('meV',''))\ if (len(inp)>0 and inp!='---')\ else 0.0 # Use list comprehension instead of map(filterEdgeList, edgeList) edgeList = [filterEdgeList(edge) for edge in edgeList] x, y = self.xasData xLimMin, xLimMax = self.plotWindow.getGraphXLimits() xMin = x[0] xMax = x[-1] xLen = xMax - xMin xMiddle = .5 *(xMax + xMin) # Average step length (Watch out for uneven data!) xStep = (xMax + xMin) / float(len(x)) # Look for the index closest to the physical middle mask = numpy.nonzero(x <= xMiddle)[0] idxMid = mask[-1] factor = 10./100. edge1, edge2 = edgeList if edge1 == 0.: edge1 = xMin + 0.4 * (xMax - xMin) if edge2 == 0.: edge2 = xMin + 0.6 * (xMax - xMin) maxEdge = max(edge1, edge2) minEdge = min(edge1, edge2) preMax = minEdge - factor*xLen postMin = maxEdge + factor*xLen ddict[self.__tabBG][self.__preMin] = max(xMin,xLimMin+xStep) ddict[self.__tabBG][self.__preMax] = preMax ddict[self.__tabBG][self.__postMin] = postMin ddict[self.__tabBG][self.__postMax] = min(xMax,xLimMax-xStep) ddict[self.__tabBG]['Edge 1'] = edge1 ddict[self.__tabBG]['Edge 2'] = edge2 self.setValuesDict(ddict) self.estimateBG() def estimateInt(self): if self.xasDataCorr is None or\ self.xasInt is None or\ self.xmcdInt is None: # Nothing to do... return ddict = self.getValuesDict() x, y = self.xasData xMin = x[0] xMax = x[-1] xLen = xMax - xMin factor = 10./100. postMin = ddict[self.__tabBG][self.__postMin] postMax = ddict[self.__tabBG][self.__postMax] edge1 = ddict[self.__tabBG]['Edge 1'] edge2 = ddict[self.__tabBG]['Edge 2'] # Estimate intP if edge1 == 0.: intP = edge2 + factor * xLen elif edge2 == 0.: intP = edge1 + factor * xLen else: intP = min(edge1, edge2) + factor * xLen # Estimate intQ intQ = postMin + factor * xLen # Estimate intR intR = postMax - factor * xLen # Also estimate the p, q, r Markers: ddict[self.__tabInt][self.__intP] = intP ddict[self.__tabInt][self.__intQ] = intQ ddict[self.__tabInt][self.__intR] = intR self.setValuesDict(ddict) def estimateBG(self): # Removed default parameter val=None if self.xasData is None: return if self.tabWidget.currentIndex() != 1: # Only call from tab 1 return x, y = self.xasData ddict = self.getValuesDict() x01 = ddict[self.__tabBG]['Edge 1'] x02 = ddict[self.__tabBG]['Edge 2'] preMin = ddict[self.__tabBG][self.__preMin] preMax = ddict[self.__tabBG][self.__preMax] postMin = ddict[self.__tabBG][self.__postMin] postMax = ddict[self.__tabBG][self.__postMax] width = ddict[self.__tabBG]['Step Width'] ratio = ddict[self.__tabBG]['Step Ratio'] if preMin > preMax: tmp = preMin preMin = preMax preMax = tmp if postMin > postMax: tmp = preMin preMin = preMax preMax = tmp idxPre = numpy.nonzero((preMin <= x) & (x <= preMax))[0] idxPost = numpy.nonzero((postMin <= x) & (x <= postMax))[0] if (len(idxPre) == 0) or (len(idxPost) == 0): if DEBUG: print('estimateBG -- Somethings wrong with pre/post edge markers') return xPreMin = x[idxPre.min()] xPreMax = x[idxPre.max()] xPostMin = x[idxPost.min()] xPostMax = x[idxPost.max()] gap = abs(xPreMax - xPostMin) avgPre = numpy.average(y[idxPre]) avgPost = numpy.average(y[idxPost]) bottom = min(avgPre,avgPost) top = max(avgPre,avgPost) if avgPost >= avgPre: sign = 1. erf = upstep else: sign = -1. erf = downstep diff = abs(avgPost - avgPre) if x02 < x01: par1 = (ratio, x02, width) par2 = ((1.-ratio), x01, width) if DEBUG: print('estimateBG -- x02 < x01, using par1: %s and par2: %s'\ %(str(par1),str(par2))) model = bottom + sign * diff * (erf(par1, x) + erf(par2, x)) else: par1 = (ratio, x01, width) par2 = ((1.-ratio), x02, width) if DEBUG: print('estimateBG -- x01 < x02, using par1: %s and par2: %s'\ %(str(par1),str(par2))) model = bottom + sign * diff * (erf(par1, x) + erf(par2, x)) preModel = numpy.asarray(len(x)*[avgPre]) postModel = numpy.asarray(len(x)*[avgPost]) self.xasDataBG = x, model self.plotWindow.addCurve(x, model, self.__xasBGmodel, {}, replot=False) self.plotWindow.addCurve(x, preModel, 'Pre BG model', {}, replot=False) self.plotWindow.addCurve(x, postModel, 'Post BG model', {}, replot=False) if hasattr(self.plotWindow, 'graph'): self.plotWindow.graph.replot() else: self.plotWindow.replot() self.plotWindow.updateLegends() def plotOnDemand(self, window): # Remove all curves if hasattr(self.plotWindow,'graph'): legends = self.plotWindow.getAllCurves(just_legend=True) for legend in legends: self.plotWindow.removeCurve(legend, replot=False) else: self.plotWindow.clearCurves() if (self.xmcdData is None) or (self.xasData is None): # Nothing to do return xyList = [] mapToY2 = False window = window.lower() if window == self.__tabElem: if self.xmcdCorrData is not None: if DEBUG == 1: print('plotOnDemand -- __tabElem: Using self.xmcdCorrData') xmcdX, xmcdY = self.xmcdCorrData xmcdLabel = 'xmcd corr' else: if DEBUG == 1: print('plotOnDemand -- __tabElem: Using self.xmcdData') xmcdX, xmcdY = self.xmcdData xmcdLabel = 'xmcd' xasX, xasY = self.xasData xyList = [(xmcdX, xmcdY, xmcdLabel, {'plot_yaxis': 'right'}), (xasX, xasY, 'xas', {})] # At least one of the curve is going # to get plotted on secondary y axis mapToY2 = True elif window == self.__tabBG: xasX, xasY= self.xasData xyList = [(xasX, xasY, 'xas', {})] if self.xasDataBG is not None: xasBGX, xasBGY = self.xasDataBG xyList += [(xasBGX, xasBGY, self.__xasBGmodel, {})] elif window == self.__tabInt: if self.xasDataBG is None: self.xmcdInt = None self.xasInt = None return # Calculate xasDataCorr xBG, yBG = self.xasDataBG x, y = self.xasData self.xasDataCorr = x, y-yBG if self.xmcdCorrData is not None: if DEBUG: print('plotOnDemand -- __tabInt: Using self.xmcdCorrData') xmcdX, xmcdY = self.xmcdCorrData xmcdIntLabel = 'xmcd corr Int' else: if DEBUG: print('plotOnDemand -- __tabInt: Using self.xmcdData') xmcdX, xmcdY = self.xmcdData xmcdIntLabel = 'xmcd Int' mathObj = Calculations() xasX, xasY = self.xasDataCorr xmcdIntY = mathObj.cumtrapz(y=xmcdY, x=xmcdX) xmcdIntX = .5 * (xmcdX[1:] + xmcdX[:-1]) xasIntY = mathObj.cumtrapz(y=xasY, x=xasX) xasIntX = .5 * (xasX[1:] + xasX[:-1]) xyList = [(xmcdIntX, xmcdIntY, xmcdIntLabel, {'plot_yaxis': 'right'}), (xasX, xasY, 'xas corr', {}), (xasIntX, xasIntY, 'xas Int', {})] self.xmcdInt = xmcdIntX, xmcdIntY self.xasInt = xasIntX, xasIntY xmin, xmax = numpy.infty, -numpy.infty ymin, ymax = numpy.infty, -numpy.infty for x,y,legend,info in xyList: xmin = min(xmin, x.min()) xmax = max(xmax, x.max()) ymin = min(ymin, y.min()) ymax = max(ymax, y.max()) if DEBUG == 1: print('plotOnDemand -- adding Curve..') """ if mapToY2: if hasattr(self.plotWindow, 'graph'): specLegend = self.plotWindow.dataObjectsList[-1] self.plotWindow.graph.mapToY2(specLegend) else: info['plot_yaxis'] = 'right' """ self.plotWindow.addCurve( x=x, y=y, legend=legend, info=info, replace=False, replot=True) # Assure margins in plot when using matplotlibbacken if not hasattr(self.plotWindow, 'graph'): if DEBUG == 1: print('plotOnDemand -- Setting margins..') print('\txmin:',xmin,'xmax:',xmax) print('\tymin:',ymin,'ymax:',ymax) # Pass if no curves present curves = self.plotWindow.getAllCurves(just_legend=True) if len(curves) == 0: # At this point xymin, xymax should be infinite.. pass xmargin = 0.1 * (xmax - xmin) ymargin = 0.1 * (ymax - ymin) self.plotWindow.setGraphXLimits(xmin-xmargin, xmax+xmargin) self.plotWindow.setGraphYLimits(ymin-ymargin, ymax+ymargin) # Need to force replot here for correct display self.plotWindow.replot() self.plotWindow.updateLegends() def addMarker(self, window, label='X MARKER', xpos=None, unit=''): # Add spinbox controlling the marker spinbox = MarkerSpinBox(window, self.plotWindow, label) # Connects self.tabChangedSignal.connect(spinbox._setMarkerFollowMouse) if len(unit) > 0: text = label + ' ' + unit else: text = label # Widget & Layout spinboxWidget = qt.QWidget() spinboxLayout = qt.QHBoxLayout() spinboxLayout.addWidget(qt.QLabel(text)) spinboxLayout.addWidget(qt.HorizontalSpacer()) spinboxLayout.addWidget(spinbox) spinboxWidget.setLayout(spinboxLayout) return spinboxWidget, spinbox def _handlePlotSignal(self, ddict): #if 'marker' not in ddict: if ddict['event'] == 'markerMoved': if self.tabWidget.currentIndex() == 1: # 1 -> BG tab self.estimateBG() def _handleTabChangedSignal(self, idx): if idx >= len(self.tabList): print('Tab changed -- Index out of range') return tab = self.tabList[idx] self.plotOnDemand(window=tab) # Hide/Show markers depending on the selected tab # Problem: MarkerLabels are stored in markerList, # however the MarkerSpinBoxes are stores in # self.valuesDict ... # edgeMarkers & xasMarkers -> BACKGROUND tab # xmcdMarker -> INTEGRATION tab markerList = self.xasMarkerList\ + self.edgeMarkerList\ + self.xmcdMarkerList if tab == self.__tabBG: self.buttonEstimate.setEnabled(True) for marker in markerList: if (marker in self.xasMarkerList) or\ (marker in self.edgeMarkerList): sb = self.valuesDict[self.__tabBG][marker] sb.showMarker() else: sb = self.valuesDict[self.__tabInt][marker] sb.hideMarker() keys = [key for key in self.valuesDict[self.__tabElem].keys()\ if key.endswith('Transition')] ratioSB = self.valuesDict[self.__tabBG]['Step Ratio'] for idx, keyElem in enumerate(keys): keyBG = 'Edge %d'%(idx+1) sb = self.valuesDict[self.__tabBG][keyBG] parentWidget = sb.parent() parentWidget.setEnabled(True) self.estimateBG() elif tab == self.__tabInt: self.buttonEstimate.setEnabled(True) for marker in markerList: if marker in self.xmcdMarkerList: sb = self.valuesDict[self.__tabInt][marker] sb.showMarker() else: sb = self.valuesDict[self.__tabBG][marker] #sb.setValue(0.0) # Should be consistent with estimateBG sb.hideMarker() self.calcMagneticMoments() else: # tab == self.__tabElem: self.buttonEstimate.setEnabled(False) for marker in markerList: if marker in self.xmcdMarkerList: sb = self.valuesDict[self.__tabInt][marker] else: sb = self.valuesDict[self.__tabBG][marker] sb.showMarker() self.tabChangedSignal.emit(tab) def keyPressEvent(self, event): if event.key() == qt.Qt.Key_F2: # Switch to tab Element idx = self.tabList.index(self.__tabElem) self.tabWidget.setCurrentIndex(idx) elif event.key() == qt.Qt.Key_F3: # Switch to tab Background idx = self.tabList.index(self.__tabBG) self.tabWidget.setCurrentIndex(idx) elif event.key() == qt.Qt.Key_F4: # Switch to tab Integration idx = self.tabList.index(self.__tabInt) self.tabWidget.setCurrentIndex(idx) elif event.key() == qt.Qt.Key_F5: # Trigger estimation self.estimate() else: qt.QWidget.keyPressEvent(self, event) class LoadDichorismDataDialog(qt.QFileDialog): dataInputSignal = qt.pyqtSignal(object) def __init__(self, parent=None): #qt.QDialog.__init__(self, parent) qt.QFileDialog.__init__(self, parent) self.dataDict = {} self.validated = False self.setWindowTitle('Load Dichorism Data') if hasattr(self, "setNameFilters"): self.setNameFilters(['Spec Files (*.spec)', 'Text Files (*.txt; *.dat)', 'All Files (*.*)']) self.setOption(qt.QFileDialog.DontUseNativeDialog, True) else: self.setFilter('Spec Files (*.spec);;' +'Text Files (*.txt; *.dat);;' +'All Files (*.*)') # Take the QSpecFileWidget class as used # in the main window to select data and # insert it into a QFileDialog. Emit the # selected data at acceptance self.specFileWidget = QSpecFileWidget.QSpecFileWidget( parent=parent, autoreplace=False) # Hide the widget containing the Auto Add/Replace # checkboxes self.specFileWidget.autoAddBox.parent().hide() # Remove the tab widget, only the counter widget # is needed. Remember: close() only hides a widget # however the widget persists in the memory. #self.specFileWidget.mainTab.removeTab(1) self.specFileWidget.mainTab.hide() #self.counterTab = self.specFileWidget.mainTab.widget(0) self.specFileWidget.mainLayout.addWidget(self.specFileWidget.cntTable) self.specFileWidget.cntTable.show() # Change the table headers in cntTable # Note: By conicidence, the original SpecFileCntTable # has just enough columns as we need. Here, we rename # the last two: # 'y' -> 'XAS' # 'mon' -> 'XMCD' labels = ['Counter', 'X', 'XAS', 'XMCD'] table = self.specFileWidget.cntTable for idx in range(len(labels)): item = table.horizontalHeaderItem(idx) if item is None: item = qt.QTableWidgetItem(labels[idx], qt.QTableWidgetItem.Type) item.setText(labels[idx]) table.setHorizontalHeaderItem(idx,item) # Hide the widget containing the Add, Replace, ... # PushButtons self.specFileWidget.buttonBox.hide() # Change selection behavior/mode in the scan list so # that only a single scan can be selected at a time self.specFileWidget.list.setSelectionBehavior(qt.QAbstractItemView.SelectRows) self.specFileWidget.list.setSelectionMode(qt.QAbstractItemView.SingleSelection) # Tinker with the native layout of QFileDialog mainLayout = self.layout() mainLayout.addWidget(self.specFileWidget, 0, 4, 4, 1) # # Signals # self.currentChanged.connect(self.setDataSource) def setDataSource(self, filename): # Opens a spec file and allows to browse its # contents in the top right widget filename = str(filename) if osPathIsDir(filename): if DEBUG == 1: print('LoadDichorismDataDialog.setDataSource -- Invalid path or filename..') return try: src = SpecFileDataSource.SpecFileDataSource(filename) except ValueError: return self.specFileWidget.setDataSource(src) def accept(self): llist = self.selectedFiles() if len(llist) == 1: filename = str(llist[0]) else: return self.processSelectedFile(filename) if self.validated: super(LoadDichorismDataDialog, self).accept() def processSelectedFile(self, filename): self.dataDict = {} filename = str(filename) scanList = self.specFileWidget.list.selectedItems() if len(scanList) == 0: self.errorMessageBox('No scan selected!') return else: scan = scanList[0] scanNo = str(scan.text(1)) table = self.specFileWidget.cntTable # ddict['x'] -> 'X' # ddict['y'] -> 'XAS' # ddict['m'] -> 'XMCD' ddict = table.getCounterSelection() colX = ddict['x'] colXas = ddict['y'] colXmcd = ddict['m'] # Check if only one is selected if len(colX) != 1: self.errorMessageBox('Single counter must be set as X') return else: colX = colX[0] if len(colXas) != 1: self.errorMessageBox('Single counter must be set as XAS') return else: colXas = colXas[0] if len(colXmcd) != 1: self.errorMessageBox('Single counter must be set as XMCD') return else: colXmcd = colXmcd[0] if colXas == colX: self.errorMessageBox('X and XAS use the same counter') return elif colX == colXmcd: self.errorMessageBox('X and XMCD use the same counter') return elif colXmcd == colXas: self.errorMessageBox('XAS and XMCD use the same counter') return # Extract data dataObj = self.specFileWidget.data.getDataObject(scanNo) # data has format (rows, cols) -> (steps, counters) self.dataDict['fn'] = filename self.dataDict['x'] = dataObj.data[:, colX] self.dataDict['xas'] = dataObj.data[:, colXas] self.dataDict['xmcd'] = dataObj.data[:, colXmcd] self.validated = True self.dataInputSignal.emit(self.dataDict) def errorMessageBox(self, msg): box = qt.QMessageBox() box.setWindowTitle('Sum Rules Load Data Error') box.setIcon(qt.QMessageBox.Warning) box.setText(msg) box.exec_() if __name__ == '__main__': app = qt.QApplication([]) win = SumRulesWindow() #r'C:\Users\tonn\lab\datasets\sum_rules\sum_rules_4f_example_EuRhj2Si2' #win = DataDisplay.PlotWindow() #xmin, xmax = win.getGraphXLimits() #win.insertXMarker(50., draggable=True) #win = LoadDichorismDataDialog() #x, avgA, avgB, xmcd, xas = getData() #win.plotWindow.newCurve(x,xmcd, legend='xmcd', xlabel='ene_st', ylabel='zratio', info={}, replot=False, replace=False) #win.setRawData(x,xmcd, identifier='xmcd') #win.plotWindow.newCurve(x,xas, legend='xas', xlabel='ene_st', ylabel='zratio', info={}, replot=False, replace=False) #win.setRawData(x,xas, identifier='xas') #win = LoadDichorismDataDialog() win.show() app.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/QDataSource.py0000644000276300001750000001661313136054446021352 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" """ Generic access to data sources. """ import sys import os from PyMca5.PyMcaGui import PyMcaQt as qt QTVERSION = qt.qVersion() from PyMca5.PyMcaCore import SpecFileDataSource from PyMca5.PyMcaCore import EdfFileDataSource from PyMca5.PyMcaGui.io import QEdfFileWidget from PyMca5.PyMcaGui.io import QSpecFileWidget if sys.platform == "win32": source_types = { SpecFileDataSource.SOURCE_TYPE: SpecFileDataSource.SpecFileDataSource, EdfFileDataSource.SOURCE_TYPE: EdfFileDataSource.EdfFileDataSource} source_widgets = { SpecFileDataSource.SOURCE_TYPE: QSpecFileWidget.QSpecFileWidget, EdfFileDataSource.SOURCE_TYPE: QEdfFileWidget.QEdfFileWidget} sps = None else: from PyMca5.PyMcaGui.pymca import QSpsDataSource sps = QSpsDataSource.SpsDataSource.sps from PyMca5.PyMcaGui.io import QSpsWidget source_types = { SpecFileDataSource.SOURCE_TYPE: SpecFileDataSource.SpecFileDataSource, EdfFileDataSource.SOURCE_TYPE: EdfFileDataSource.EdfFileDataSource, QSpsDataSource.SOURCE_TYPE: QSpsDataSource.QSpsDataSource} source_widgets = { SpecFileDataSource.SOURCE_TYPE: QSpecFileWidget.QSpecFileWidget, EdfFileDataSource.SOURCE_TYPE: QEdfFileWidget.QEdfFileWidget, QSpsDataSource.SOURCE_TYPE: QSpsWidget.QSpsWidget} NEXUS = True try: from PyMca5.PyMcaCore import NexusDataSource from PyMca5.PyMcaGui.pymca import PyMcaNexusWidget import h5py except: # HDF5 file format support is not mandatory NEXUS = False if NEXUS: source_types[NexusDataSource.SOURCE_TYPE] = NexusDataSource.NexusDataSource source_widgets[NexusDataSource.SOURCE_TYPE] = PyMcaNexusWidget.PyMcaNexusWidget def getSourceType(sourceName0): if type(sourceName0) == type([]): sourceName = sourceName0[0] else: sourceName = sourceName0 if sps is not None: if sourceName in sps.getspeclist(): return QSpsDataSource.SOURCE_TYPE if not os.path.exists(sourceName): if ('%' in sourceName): try: f = h5py.File(sourceName, 'r', driver='family') f.close() f = None return NexusDataSource.SOURCE_TYPE except: pass if os.path.exists(sourceName): f = open(sourceName, 'rb') if sys.version < '3.0': line = f.readline() if not len(line.replace("\n","")): line = f.readline() else: tiff = False try: twoChars = f.read(2) if twoChars in [eval("b'II'"), eval("b'MM'")]: f.close() return EdfFileDataSource.SOURCE_TYPE except: pass f.seek(0) try: line = str(f.readline().decode()) if not len(line.replace("\n","")): line = str(f.readline().decode()) except UnicodeDecodeError: line = str(f.readline().decode("latin-1")) if not len(line.replace("\n","")): line = str(f.readline().decode("latin-1")) f.close() if sourceName.lower().endswith('.cbf'): #pilatus CBF mccd = True elif len(line) < 2: mccd = False elif line[0:2] in ["II","MM"]: #this also accounts for TIFF mccd = True elif sourceName.lower().endswith('.spe') and\ (line[0:1] not in ['$', '#']): #Roper images mccd = True else: mccd = False if (line.startswith("{")) or mccd: return EdfFileDataSource.SOURCE_TYPE elif sourceName.lower().endswith('edf.gz') or\ sourceName.lower().endswith('ccd.gz') or\ sourceName.lower().endswith('raw.gz') or\ sourceName.lower().endswith('edf.bz2') or\ sourceName.lower().endswith('ccd.bz2') or\ sourceName.lower().endswith('raw.bz2'): return EdfFileDataSource.SOURCE_TYPE else: if NEXUS: ishdf5 = False try: ishdf5 = h5py.is_hdf5(sourceName) except TypeError: if sys.version > '2.9': if sourceName.endswith('.h5') or\ sourceName.endswith('.hdf') or\ sourceName.endswith('.nxs'): ishdf5 = True if ishdf5: return NexusDataSource.SOURCE_TYPE try: f = h5py.File(sourceName, 'r') f.close() f = None return NexusDataSource.SOURCE_TYPE except: pass return SpecFileDataSource.SOURCE_TYPE else: return QSpsDataSource.SOURCE_TYPE def QDataSource(name=None, source_type=None): if name is None: raise ValueError("Invalid Source Name") if source_type is None: source_type = getSourceType(name) try: sourceClass = source_types[source_type] except KeyError: #ERROR invalid source type raise TypeError("Invalid Source Type, source type should be one of %s" % source_types.keys()) return sourceClass(name) if __name__ == "__main__": try: sourcename=sys.argv[1] key =sys.argv[2] except: print("Usage: QDataSource ") sys.exit() #one can use this: #obj = EdfFileDataSource(sourcename) #or this: obj = QDataSource(sourcename) #data = obj.getData(key,selection={'pos':(10,10),'size':(40,40)}) #data = obj.getData(key,selection={'pos':None,'size':None}) data = obj.getDataObject(key) print("info = ",data.info) print("data shape = ",data.data.shape) PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/McaWindow.py0000644000276300001750000022563313173367502021074 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2017 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os import numpy #from numpy import argsort, nonzero, take import time import traceback from PyMca5.PyMcaGui import PyMcaQt as qt if hasattr(qt, 'QString'): QString = qt.QString else: QString = qt.safe_str if __name__ == "__main__": app = qt.QApplication([]) import copy from PyMca5.PyMcaGui.io import PyMcaFileDialogs from PyMca5.PyMcaGui import IconDict from . import ScanWindow from . import McaCalibrationControlGUI from PyMca5.PyMcaIO import ConfigDict from PyMca5.PyMcaGui import McaAdvancedFit from PyMca5.PyMcaCore import DataObject from PyMca5.PyMcaGui.physics.xrf import McaCalWidget from . import McaSimpleFit from PyMca5.PyMcaMath.fitting import Specfit from PyMca5.PyMcaMath.fitting import SpecfitFuns from PyMca5.PyMcaGui import PyMcaPrintPreview from PyMca5 import PyMcaDirs from PyMca5.PyMcaGui import QPyMcaMatplotlibSave1D MATPLOTLIB = True #force understanding of utf-8 encoding #otherways it cannot generate svg output try: import encodings.utf_8 except: #not a big problem pass DEBUG = 0 class McaWindow(ScanWindow.ScanWindow): def __init__(self, parent=None, name="Mca Window", specfit=None, backend=None, plugins=True, newplot=False, roi=True, fit=True, **kw): ScanWindow.ScanWindow.__init__(self, parent, name=name, newplot=newplot, plugins=plugins, backend=backend, roi=roi, fit=fit, **kw) self.setWindowType("MCA") # these two objects are the same self.dataObjectsList = self._curveList # but this is tricky self.dataObjectsDict = {} #self.setWindowTitle(name) self.outputDir = None self.outputFilter = None self.matplotlibDialog = None self.calibration = 'None' self.calboxoptions = ['None','Original (from Source)','Internal (from Source OR PyMca)'] self.caldict={} self.calwidget = None self.currentROI = None self.peakmarker = None if specfit is None: self.specfit = Specfit.Specfit() else: self.specfit = specfit self.simplefit = McaSimpleFit.McaSimpleFit(specfit=self.specfit) self.specfit.fitconfig['McaMode'] = 1 self.advancedfit = McaAdvancedFit.McaAdvancedFit() self.printPreview = PyMcaPrintPreview.PyMcaPrintPreview(modal = 0) if DEBUG: print("printPreview id = %d" % id(self.printPreview)) self._buildCalibrationControlWidget() self._toggleCounter = 2 self._togglePointsSignal() self._ownSignal = None self.changeGridLevel() self.connections() self.setGraphYLabel('Counts') if 1: self.fitButtonMenu = qt.QMenu() self.fitButtonMenu.addAction(QString("Simple"), self.mcaSimpleFitSignal) self.fitButtonMenu.addAction(QString("Advanced") , self.mcaAdvancedFitSignal) #self.fitButtonMenu.addAction(QString("Simple Fit"), # self._simpleFitSignal) #self.fitButtonMenu.addAction(QString("Customized Fit") , # self._customFitSignal) def _buildCalibrationControlWidget(self): widget = self.centralWidget() self.controlWidget = McaCalibrationControlGUI.McaCalibrationControlGUI(\ widget) widget.layout().addWidget(self.controlWidget) self.controlWidget.sigMcaCalibrationControlGUISignal.connect(\ self.__anasignal) def connections(self): self.simplefit.sigMcaSimpleFitSignal.connect(self.__anasignal) self.advancedfit.sigMcaAdvancedFitSignal.connect(self.__anasignal) def mcaSimpleFitSignal(self): legend = self.getActiveCurve(just_legend=True) if legend is None: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Please Select an active curve") msg.setWindowTitle('MCA Window Simple Fit') msg.exec_() return x, y, info = self.getDataAndInfoFromLegend(legend) self.advancedfit.hide() self.simplefit.show() self.simplefit.setFocus() self.simplefit.raise_() if info is not None: xmin, xmax = self.getGraphXLimits() self.__simplefitcalmode = self.calibration curveinfo = info if self.calibration == 'None': calib = [0.0,1.0,0.0] else: if 'McaCalib' in curveinfo: calib = curveinfo['McaCalib'] else: calib = [0.0, 1.0, 0.0] self.__simplefitcalibration = calib calibrationOrder = curveinfo.get('McaCalibOrder',2) if calibrationOrder == 'TOF': x = calib[2] + calib[0] / pow(x-calib[1],2) else: x = calib[0] + calib[1] * x + calib[2] * x * x self.simplefit.setdata(x=x,y=y, xmin=xmin, xmax=xmax, legend=legend) """ if self.specfit.fitconfig['McaMode']: self.specfitGUI.guiparameters.fillfromfit(self.specfit.paramlist, current='Region 1') self.specfitGUI.guiparameters.removeallviews(keep='Region 1') else: self.specfitGUI.guiparameters.fillfromfit(self.specfit.paramlist, current='Fit') self.specfitGUI.guiparameters.removeallviews(keep='Fit') """ if self.specfit.fitconfig['McaMode']: self.simplefit.fit() else: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Error. Trying to fit fitted data?") msg.setWindowTitle('MCA Window Simple Fit') msg.exec_() def getActiveCurve(self, just_legend=False): if DEBUG: print("Local MCA window getActiveCurve called!!!!") legend = super(McaWindow, self).getActiveCurve(just_legend) if just_legend: return legend activeCurve = legend if activeCurve in [None, []]: return None x = activeCurve[0] y = activeCurve[1] legend = activeCurve[2] curveinfo = activeCurve[3] xlabel = self.getGraphXLabel() ylabel = self.getGraphYLabel() """ if legend in self.dataObjectsDict.keys(): info = self.dataObjectsDict[legend].info if str(xlabel.upper()) != "CHANNEL": x = self.dataObjectsDict[legend].x[0] else: info = None else: info = None if info is not None: if self.calibration == 'None': calib = [0.0,1.0,0.0] else: if 'McaCalib' in curveinfo: calib = curveinfo['McaCalib'] else: calib = [0.0, 1.0, 0.0] calibrationOrder = curveinfo.get('McaCalibOrder',2) if calibrationOrder == 'TOF': x = calib[2] + calib[0] / pow(x - calib[1],2) else: x = calib[0] + calib[1] * x + calib[2] * x * x else: info = curveinfo """ info = curveinfo info['xlabel'] = xlabel info['ylabel'] = ylabel return x, y, legend, info def getDataAndInfoFromLegend(self, legend): """ Tries to provide the requested curve in terms of the channels and not in the terms as it is displayed. """ xdata = None ydata = None info = None if legend in self.dataObjectsDict: # The data as displayed x, y, legend, curveinfo = self.getCurve(legend) # the data as first entered info = self.dataObjectsDict[legend].info if self.calibration == 'None': if 'McaCalibSource' in curveinfo: calib = curveinfo['McaCalibSource'] return x, y, curveinfo elif 'McaCalibSource' in info: return x, y, info else: return x, y, curveinfo else: if 'McaCalib' in curveinfo: calib = curveinfo['McaCalib'] current = True else: calib = info['McaCalib'] current = False x0 = self.dataObjectsDict[legend].x[0] energy = calib[0] + calib[1] * x0 + calib[2] * x0 * x0 if numpy.allclose(x, energy): xdata = self.dataObjectsDict[legend].x[0] ydata = y if current: return xdata, ydata, curveinfo else: return xdata, ydata, info else: # return current data return x, y, curveinfo else: info = None xdata = None ydata = None return xdata, ydata, info def mcaAdvancedFitSignal(self): legend = self.getActiveCurve(just_legend=True) if legend in [None, []]: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Please Select an active curve") msg.setWindowTitle('MCA Window') msg.exec_() return x, y, info = self.getDataAndInfoFromLegend(legend) curveinfo = self.getCurve(legend)[3] xmin,xmax = self.getGraphXLimits() if self.calibration == 'None': if 'McaCalibSource' in curveinfo: calib = curveinfo['McaCalibSource'] elif 'McaCalibSource' in info: calib = info['McaCalibSource'] else: calib = [0.0,1.0,0.0] else: calib = curveinfo['McaCalib'] energy = calib[0] + calib[1] * x + calib[2] * x * x i1 = min(numpy.nonzero(energy >= xmin)[0]) i2 = max(numpy.nonzero(energy <= xmax)[0]) xmin = x[i1] * 1.0 xmax = x[i2] * 1.0 if self.simplefit is not None: self.simplefit.hide() self.advancedfit.show() self.advancedfit.setFocus() self.advancedfit.raise_() if info is not None: xlabel = 'Channel' self.advancedfit.setData(x=x,y=y, xmin=xmin, xmax=xmax, legend=legend, xlabel=xlabel, calibration=calib, sourcename=info['SourceName'], time=info.get('McaLiveTime', None)) self.advancedfit.fit() else: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Error. Trying to fit fitted data?") msg.exec_() return def __anasignal(self,dict): if DEBUG: print("__anasignal called dict = ",dict) if dict['event'] == 'clicked': # A button has been cicked if dict['button'] == 'Source': pass elif dict['button'] == 'Calibration': #legend,x,y = self.graph.getactivecurve() legend = self.getActiveCurve(just_legend=1) if legend is None: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Please Select an active curve") msg.exec_() return else: x, y, info = self.getDataAndInfoFromLegend(legend) if info is None: return ndict = {} ndict[legend] = {'order':1, 'A':0.0, 'B':1.0, 'C':0.0} if legend in self.caldict: ndict[legend].update(self.caldict[legend]) if abs(ndict[legend]['C']) > 0.0: ndict[legend]['order'] = self.caldict[legend].get('order', 2) elif 'McaCalib' in info: if type(info['McaCalib'][0]) == type([]): calib = info['McaCalib'][0] else: calib = info['McaCalib'] calibrationOrder = info.get('McaCalibOrder', 2) if len(calib) > 1: ndict[legend]['A'] = calib[0] ndict[legend]['B'] = calib[1] if len(calib) >2: ndict[legend]['order'] = calibrationOrder ndict[legend]['C'] = calib[2] caldialog = McaCalWidget.McaCalWidget(legend=legend, x=x, y=y, modal=1, caldict=ndict) #info,x,y = self.getinfodatafromlegend(legend) #caldialog.graph.newCurve("fromlegend",x=x,y=y) ret = caldialog.exec_() if ret == qt.QDialog.Accepted: self.caldict.update(caldialog.getDict()) item, text = self.controlWidget.calbox.getCurrent() options = [] for option in self.calboxoptions: options.append(option) for key in self.caldict.keys(): if key not in options: options.append(key) try: self.controlWidget.calbox.setOptions(options) except: pass self.controlWidget.calbox.setCurrentIndex(item) self.refresh() del caldialog elif dict['button'] == 'CalibrationCopy': #legend,x,y = self.graph.getactivecurve() legend = self.getActiveCurve(just_legend=1) if legend is None: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Please Select an active curve") msg.exec_() return else: x, y, info = self.getDataAndInfoFromLegend(legend) if info is None: return ndict=copy.deepcopy(self.caldict) if 'McaCalib' in info: if type(info['McaCalib'][0]) == type([]): sourcecal = info['McaCalib'][0] else: sourcecal = info['McaCalib'] else: sourcecal = [0.0,1.0,0.0] for curve in self.getAllCurves(just_legend=True): curveinfo = self.getCurve(curve)[3] if 'McaCalibSource' in curveinfo: key = "%s (Source)" % curve if key not in ndict: if curveinfo['McaCalibSource'] != [0.0,1.0,0.0]: ndict[key] = {'A':curveinfo['McaCalibSource'][0], 'B':curveinfo['McaCalibSource'][1], 'C':curveinfo['McaCalibSource'][2]} if curveinfo['McaCalibSource'][2] != 0.0: ndict[key]['order'] = 2 else: ndict[key]['order'] = 1 if curve not in self.caldict.keys(): if curveinfo['McaCalib'] != [0.0,1.0,0.0]: if curveinfo['McaCalib'] != curveinfo['McaCalibSource']: key = "%s (PyMca)" % curve ndict[key] = {'A':curveinfo['McaCalib'][0], 'B':curveinfo['McaCalib'][1], 'C':curveinfo['McaCalib'][2]} if curveinfo['McaCalib'][2] != 0.0: ndict[key]['order'] = 2 else: ndict[key]['order'] = 1 else: if curve not in self.caldict.keys(): if curveinfo['McaCalib'] != [0.0,1.0,0.0]: key = "%s (PyMca)" % curve ndict[key] = {'A':curveinfo['McaCalib'][0], 'B':curveinfo['McaCalib'][1], 'C':curveinfo['McaCalib'][2]} if curveinfo['McaCalib'][2] != 0.0: ndict[key]['order'] = 2 else: ndict[key]['order'] = 1 if not (legend in self.caldict): ndict[legend]={} ndict[legend]['A'] = sourcecal[0] ndict[legend]['B'] = sourcecal[1] ndict[legend]['C'] = sourcecal[2] if sourcecal[2] != 0.0: ndict[legend]['order'] = 2 else: ndict[legend]['order'] = 1 caldialog = McaCalWidget.McaCalCopy(legend=legend,modal=1, caldict=ndict, sourcecal=sourcecal, fl=0) #info,x,y = self.getinfodatafromlegend(legend) #caldialog.graph.newCurve("fromlegend",x=x,y=y) ret = caldialog.exec_() if ret == qt.QDialog.Accepted: self.caldict.update(caldialog.getDict()) item, text = self.controlWidget.calbox.getCurrent() options = [] for option in self.calboxoptions: options.append(option) for key in self.caldict.keys(): if key not in options: options.append(key) try: self.controlWidget.calbox.setOptions(options) except: pass self.controlWidget.calbox.setCurrentIndex(item) self.refresh() del caldialog elif dict['button'] == 'CalibrationLoad': item = dict['box'][0] itemtext = dict['box'][1] filename = dict['line_edit'] if not os.path.exists(filename): text = "Error. Calibration file %s not found " % filename msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText(text) msg.exec_() return cald = ConfigDict.ConfigDict() try: cald.read(filename) except: text = "Error. Cannot read calibration file %s" % filename msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText(text) msg.exec_() return self.caldict.update(cald) options = [] for option in self.calboxoptions: options.append(option) for key in self.caldict.keys(): if key not in options: options.append(key) try: self.controlWidget.calbox.setOptions(options) self.controlWidget.calbox.setCurrentIndex(options.index(itemtext)) self.calibration = itemtext * 1 self.controlWidget._calboxactivated(itemtext) except: text = "Error. Problem updating combobox" msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText(text) msg.exec_() return elif dict['button'] == 'CalibrationSave': filename = dict['line_edit'] cald = ConfigDict.ConfigDict() if os.path.exists(filename): try: os.remove(filename) except: text = "Error. Problem deleting existing file %s" % filename msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText(text) msg.exec_() return cald.update(self.caldict) cald.write(filename) elif dict['button'] == 'Detector': pass elif dict['button'] == 'Search': pass elif dict['button'] == 'Fit': if dict['box'][1] == 'Simple': self.mcasimplefitsignal() elif dict['box'][1] == 'Advanced': self.mcaadvancedfitsignal() else: print("Unknown Fit Event") elif dict['event'] == 'activated': # A comboBox has been selected if dict['boxname'] == 'Source': pass elif dict['boxname'] == 'Calibration': self.calibration = dict['box'][1] self.clearMarkers() self.refresh() self.resetZoom() elif dict['boxname'] == 'Detector': pass elif dict['boxname'] == 'Search': pass elif dict['boxname'] == 'ROI': if dict['combotext'] == 'Add': pass elif dict['combotext'] == 'Del': pass else: pass elif dict['boxname'] == 'Fit': """ if dict['box'][1] == 'Simple': self.anacontainer.hide() else: self.anacontainer.show() """ pass else: if DEBUG: print("Unknown combobox",dict['boxname']) elif (dict['event'] == 'EstimateFinished'): pass elif (dict['event'] == 'McaAdvancedFitFinished') or \ (dict['event'] == 'McaAdvancedFitMatrixFinished') : x = dict['result']['xdata'] yb = dict['result']['continuum'] legend0= dict['info']['legend'] fitcalibration = [dict['result']['fittedpar'][0], dict['result']['fittedpar'][1], 0.0] if dict['event'] == 'McaAdvancedFitMatrixFinished': legend = dict['info']['legend'] + " Fit" legend3 = dict['info']['legend'] + " Matrix" ymatrix = dict['result']['ymatrix'] * 1.0 #copy the original info from the curve newDataObject = DataObject.DataObject() newDataObject.info = copy.deepcopy(self.dataObjectsDict[legend0].info) newDataObject.info['SourceType']= 'AdvancedFit' newDataObject.info['SourceName'] = 1 * self.dataObjectsDict[legend0].info['SourceName'] newDataObject.info['legend'] = legend3 newDataObject.info['Key'] = legend3 newDataObject.info['McaCalib'] = fitcalibration * 1 newDataObject.x = [x] newDataObject.y = [ymatrix] newDataObject.m = None self.dataObjectsDict[legend3] = newDataObject #self.graph.newCurve(legend3,x=x,y=ymatrix,logfilter=1) else: legend = dict['info']['legend'] + " Fit" yfit = dict['result']['yfit'] * 1.0 #copy the original info from the curve newDataObject = DataObject.DataObject() newDataObject.info = copy.deepcopy(self.dataObjectsDict[legend0].info) newDataObject.info['SourceType']= 'AdvancedFit' newDataObject.info['SourceName'] = 1 * self.dataObjectsDict[legend0].info['SourceName'] newDataObject.info['legend'] = legend newDataObject.info['Key'] = legend newDataObject.info['McaCalib'] = fitcalibration * 1 newDataObject.data = numpy.reshape(numpy.concatenate((x,yfit,yb),0),(3,len(x))) newDataObject.x = [x] newDataObject.y = [yfit] newDataObject.m = None self.dataObjectsDict[legend] = newDataObject #self.graph.newCurve(legend,x=x,y=yfit,logfilter=1) #the same for the background legend2 = dict['info']['legend'] + " Bkg" newDataObject2 = DataObject.DataObject() newDataObject2.info = copy.deepcopy(self.dataObjectsDict[legend0].info) newDataObject2.info['SourceType']= 'AdvancedFit' newDataObject2.info['SourceName'] = 1 * self.dataObjectsDict[legend0].info['SourceName'] newDataObject2.info['legend'] = legend2 newDataObject2.info['Key'] = legend2 newDataObject2.info['McaCalib'] = fitcalibration * 1 newDataObject2.data = None newDataObject2.x = [x] newDataObject2.y = [yb] newDataObject2.m = None self.dataObjectsDict[legend2] = newDataObject2 #self.graph.newCurve(legend2,x=x,y=yb,logfilter=1) if not (legend in self.caldict): self.caldict[legend] = {} self.caldict[legend] ['order'] = 1 self.caldict[legend] ['A'] = dict['result']['fittedpar'][0] self.caldict[legend] ['B'] = dict['result']['fittedpar'][1] self.caldict[legend] ['C'] = 0.0 options = [] for option in self.calboxoptions: options.append(option) for key in self.caldict.keys(): if key not in options: options.append(key) try: self.controlWidget.calbox.setOptions(options) #I only reset the graph scale after a fit, not on a matrix spectrum if dict['event'] == 'McaAdvancedFitFinished': #get current limits if self.calibration == 'None': xmin, xmax =self.getGraphXLimits() emin = dict['result']['fittedpar'][0] + \ dict['result']['fittedpar'][1] * xmin emax = dict['result']['fittedpar'][0] + \ dict['result']['fittedpar'][1] * xmax else: emin,emax = self.getGraphXLimits() ymin, ymax =self.getGraphYLimits() self.controlWidget.calbox.setCurrentIndex(options.index(legend)) self.calibration = legend self.controlWidget._calboxactivated(legend) self.setGraphYLimits(ymin, ymax, replot=False) if emin < emax: self.setGraphXLimits(emin, emax, replot=True) else: self.setGraphXLimits(emax, emin, replot=True) except: if DEBUG: print("Refreshing due to exception", sys.exc_info()[1]) self.refresh() #self.graph.replot() elif dict['event'] == 'McaFitFinished': mcaresult = dict['data'] legend = dict['info']['legend'] + " " i = 0 xfinal = [] yfinal = [] ybfinal= [] regions = [] legend0= dict['info']['legend'] mcamode = True for result in mcaresult: i += 1 if result['chisq'] is not None: mcamode = result['fitconfig']['McaMode'] idx=numpy.nonzero((self.specfit.xdata0>=result['xbegin']) & \ (self.specfit.xdata0<=result['xend']))[0] x=numpy.take(self.specfit.xdata0,idx) y=self.specfit.gendata(x=x,parameters=result['paramlist']) nparb= len(self.specfit.bkgdict[self.specfit.fitconfig['fitbkg']][1]) yb = self.specfit.gendata(x=x,parameters=result['paramlist'][0:nparb]) xtoadd = numpy.take(self.dataObjectsDict[legend0].x[0],idx).tolist() if not len(xtoadd): continue xfinal = xfinal + xtoadd regions.append([xtoadd[0],xtoadd[-1]]) yfinal = yfinal + y.tolist() ybfinal= ybfinal + yb.tolist() #self.graph.newCurve(legend + 'Region %d' % i,x=x,y=yfit,logfilter=1) legend = legend0 + " SFit" if legend in self.dataObjectsDict.keys(): if legend in self.getAllCurves(just_legend=True): if mcamode: if not ('baseline' in self.dataObjectsDict[legend].info): self.removeCurve(legend) else: if 'baseline' in self.dataObjectsDict[legend].info: self.removeCurve(legend) #copy the original info from the curve newDataObject = DataObject.DataObject() newDataObject.info = copy.deepcopy(self.dataObjectsDict[legend0].info) newDataObject.info['SourceType']= 'SimpleFit' newDataObject.info['SourceName'] = 1 * self.dataObjectsDict[legend0].info['SourceName'] newDataObject.info['legend'] = legend newDataObject.info['Key'] = legend newDataObject.info['CalMode'] = self.__simplefitcalmode newDataObject.info['McaCalib'] = self.__simplefitcalibration x = numpy.array(xfinal) yfit = numpy.array(yfinal) yb = numpy.array(ybfinal) newDataObject.x = [x] newDataObject.y = [yfit] newDataObject.m = [numpy.ones(len(yfit)).astype(numpy.float)] if mcamode: newDataObject.info['regions'] = regions newDataObject.info['baseline'] = yb self.dataObjectsDict[legend] = newDataObject self.refresh() return elif dict['event'] == 'McaTableFilled': if self.peakmarker is not None: self.graph.removeMarker(self.peakmarker) self.peakmarker = None elif dict['event'] == 'McaTableRowHeaderClicked': #I have to mark the peaks if dict['row'] >= 0: pos = dict['Position'] label = 'PEAK %d' % (dict['row']+1) if self.peakmarker is not None: self.removeMarker(self.peakmarker) self.insertXMarker(pos, label, text=label, color='pink', draggable=False) self.peakmarker = label else: if self.peakmarker is not None: self.removeMarker(self.peakmarker) self.peakmarker = None elif dict['event'] == 'McaTableClicked': if self.peakmarker is not None: self.removeMarker(self.peakmarker) self.peakmarker = None elif (dict['event'] == 'McaAdvancedFitElementClicked') or \ (dict['event'] == 'ElementClicked'): #this has been moved to the fit window pass elif dict['event'] == 'McaAdvancedFitPrint': #self.advancedfit.printps(doit=1) self.printHtml(dict['text']) elif dict['event'] == 'McaSimpleFitPrint': self.printHtml(dict['text']) elif dict['event'] == 'McaSimpleFitClosed': if self.peakmarker is not None: self.removeMarker(self.peakmarker) self.peakmarker = None self.replot() elif dict['event'] == 'ScanFitPrint': self.printHtml(dict['text']) elif dict['event'] == 'AddROI': return super(McaWindow, self)._roiSignal(dict) elif dict['event'] == 'DelROI': return super(McaWindow, self)._roiSignal(dict) elif dict['event'] == 'ResetROI': return super(McaWindow, self)._roiSignal(dict) elif dict['event'] == 'ActiveROI': print("ActiveROI event") pass elif dict['event'] == 'selectionChanged': print("Selection changed event not implemented any more") else: if DEBUG: print("Unknown or ignored event",dict['event']) def emitCurrentROISignal(self): if self.currentROI is None: return #I have to get the current calibration if self.getGraphXLabel().upper() != "CHANNEL": #I have to get the energy A = self.controlWidget.calinfo.caldict['']['A'] B = self.controlWidget.calinfo.caldict['']['B'] C = self.controlWidget.calinfo.caldict['']['C'] order = self.controlWidget.calinfo.caldict['']['order'] else: A = 0.0 try: legend = self.getActiveCurve(just_legend=True) if legend in self.dataObjectsDict.keys(): A = self.dataObjectsDict[legend].x[0][0] except: if DEBUG: print("X axis offset not found") B = 1.0 C = 0.0 order = 1 key = self.currentROI roiList, roiDict = self.roiWidget.getROIListAndDict() fromdata = roiDict[key]['from' ] todata = roiDict[key]['to'] ddict = {} ddict['event'] = "ROISignal" ddict['name'] = key ddict['from'] = fromdata ddict['to'] = todata ddict['type'] = roiDict[self.currentROI]["type"] ddict['calibration']= [A, B, C, order] self.sigROISignal.emit(ddict) def setDispatcher(self, w): w.sigAddSelection.connect(self._addSelection) w.sigRemoveSelection.connect(self._removeSelection) w.sigReplaceSelection.connect(self._replaceSelection) def _addSelection(self, selection, replot=True): if DEBUG: print("__add, selection = ",selection) if type(selection) == type([]): sellist = selection else: sellist = [selection] for sel in sellist: # force the selections to include their source for completeness? # source = sel['SourceName'] key = sel['Key'] if "scanselection" in sel: if sel["scanselection"] not in [False, "MCA"]: continue mcakeys = [key] for mca in mcakeys: legend = sel['legend'] dataObject = sel['dataobject'] info = dataObject.info data = dataObject.y[0] if "selectiontype" in dataObject.info: if dataObject.info["selectiontype"] != "1D": continue curveinfo=copy.deepcopy(info) curveinfo["ylabel"] = info.get("ylabel", "Counts") if dataObject.x is None: xhelp = None else: xhelp = dataObject.x[0] if xhelp is None: if 'Channel0' not in info: info['Channel0'] = 0.0 xhelp =info['Channel0'] + numpy.arange(len(data)).astype(numpy.float) dataObject.x = [xhelp] ylen = len(data) if ylen == 1: if len(xhelp) > 1: data = data[0] * numpy.ones(len(xhelp)).astype(numpy.float) dataObject.y = [data] elif len(xhelp) == 1: xhelp = xhelp[0] * numpy.ones(ylen).astype(numpy.float) dataObject.x = [xhelp] if not hasattr(dataObject, 'm'): dataObject.m = None if dataObject.m is not None: if len(dataObject.m[0]) > 0: mdata = dataObject.m[0] if len(mdata) == len(data): mdata[data == 0] += 0.00000001 index = numpy.nonzero(mdata)[0] if not len(index): continue xhelp = numpy.take(xhelp, index) data = numpy.take(data, index) mdata = numpy.take(mdata, index) data = data/mdata dataObject.x = [xhelp * 1] dataObject.m = [numpy.ones(len(data)).astype(numpy.float)] elif (len(mdata) == 1) or (ylen == 1): if mdata[0] == 0.0: continue data = data/mdata else: raise ValueError("Cannot normalize data") dataObject.y = [data] self.dataObjectsDict[legend] = dataObject if ('baseline' in info) and ('regions' in info): simplefitplot = True else: simplefitplot = False try: calib = [0.0,1.0,0.0] for inputkey in ['baseline', 'regions', 'McaLiveTime']: if inputkey in info: curveinfo[inputkey] = info[inputkey] curveinfo['McaCalib'] = calib if 'McaCalib' in info: if type(info['McaCalib'][0]) == type([]): calib0 = info['McaCalib'][info['McaDet']-1] else: calib0 = info['McaCalib'] if 'McaCalibSource' in info: curveinfo['McaCalibSource'] = info['McaCalibSource'] else: curveinfo['McaCalibSource'] = calib0 if self.calibration == self.calboxoptions[1]: if 'McaCalibSource' in curveinfo: calib = curveinfo['McaCalibSource'] elif 'McaCalib' in info: if type(info['McaCalib'][0]) == type([]): calib = info['McaCalib'][info['McaDet']-1] else: calib = info['McaCalib'] if len(calib) > 1: xdata=calib[0]+ \ calib[1]* xhelp if len(calib) == 3: xdata = xdata + calib[2]* xhelp * xhelp curveinfo['McaCalib'] = calib if simplefitplot: inforegions = [] for region in info['regions']: inforegions.append([calib[0] + \ calib[1] * region[0] +\ calib[2] * region[0] * region[0], calib[0] + \ calib[1] * region[1] +\ calib[2] * region[1] * region[1]]) self.addCurve(xdata, data, legend=legend, info=curveinfo, own=True) else: self.addCurve(xdata, data, legend=legend, info=curveinfo, own=True) self.setGraphXLabel('Energy') elif self.calibration == self.calboxoptions[2]: calibrationOrder = None if legend in self.caldict: A = self.caldict[legend]['A'] B = self.caldict[legend]['B'] C = self.caldict[legend]['C'] calibrationOrder = self.caldict[legend]['order'] calib = [A,B,C] elif 'McaCalib' in info: if type(info['McaCalib'][0]) == type([]): calib = info['McaCalib'][info['McaDet']-1] else: calib = info['McaCalib'] if len(calib) > 1: xdata=calib[0]+ \ calib[1]* xhelp if len(calib) == 3: if calibrationOrder == 'TOF': xdata = calib[2] + calib[0] / pow(xhelp-calib[1],2) else: xdata = xdata + calib[2]* xhelp * xhelp curveinfo['McaCalib'] = calib curveinfo['McaCalibOrder'] = calibrationOrder if simplefitplot: inforegions = [] for region in info['regions']: if calibrationOrder == 'TOF': inforegions.append([calib[2] + calib[0] / pow(region[0]-calib[1],2), calib[2] + calib[0] / pow(region[1]-calib[1],2)]) else: inforegions.append([calib[0] + \ calib[1] * region[0] +\ calib[2] * region[0] * region[0], calib[0] + \ calib[1] * region[1] +\ calib[2] * region[1] * region[1]]) self.addCurve(xdata, data, legend=legend, info=curveinfo, own=True) else: self.addCurve(xdata, data, legend=legend, info=curveinfo, own=True) if calibrationOrder == 'ID18': self.setGraphXLabel('Time') else: self.setGraphXLabel('Energy') elif self.calibration == 'Fit': print("Not yet implemented") continue elif self.calibration in self.caldict.keys(): A = self.caldict[self.calibration]['A'] B = self.caldict[self.calibration]['B'] C = self.caldict[self.calibration]['C'] calibrationOrder = self.caldict[self.calibration]['order'] calib = [A,B,C] if calibrationOrder == 'TOF': xdata = C + (A / ((xhelp - B) * (xhelp - B))) else: xdata=calib[0]+ \ calib[1]* xhelp + \ calib[2]* xhelp * xhelp curveinfo['McaCalib'] = calib curveinfo['McaCalibOrder'] = calibrationOrder if simplefitplot: inforegions = [] for region in info['regions']: if calibrationOrder == 'TOF': inforegions.append([calib[2] + calib[0] / pow(region[0]-calib[1],2), calib[2] + calib[0] / pow(region[1]-calib[1],2)]) else: inforegions.append([calib[0] + \ calib[1] * region[0] +\ calib[2] * region[0] * region[0], calib[0] + \ calib[1] * region[1] +\ calib[2] * region[1] * region[1]]) self.addCurve(xdata, data, legend=legend, info=curveinfo, own=True) #baseline = info['baseline'], #regions = inforegions) else: self.addCurve(xdata, data, legend=legend, info=curveinfo, own=True) if calibrationOrder == 'ID18': self.setGraphXLabel('Time') else: self.setGraphXLabel('Energy') else: if simplefitplot: self.addCurve(xhelp, data, legend=legend, info=curveinfo, own=True) #baseline = info['baseline'], #regions = info['regions']) else: self.addCurve(xhelp, data, legend=legend, info=curveinfo, own=True) self.setGraphXLabel('Channel') except: del self.dataObjectsDict[legend] raise if replot: #self.replot() self.resetZoom() self.updateLegends() def _removeSelection(self, selectionlist): if DEBUG: print("_removeSelection(self, selectionlist)",selectionlist) if type(selectionlist) == type([]): sellist = selectionlist else: sellist = [selectionlist] legendlist = [] for sel in sellist: key = sel['Key'] if "scanselection" in sel: if sel['scanselection'] not in [False, "MCA"]: continue mcakeys = [key] for mca in mcakeys: legend = sel['legend'] legendlist.append(legend) self.removeCurves(legendlist, replot=True) def removeCurves(self, removelist, replot=True): for legend in removelist: self.removeCurve(legend, replot=False) if replot: self.replot() def removeCurve(self, legend, replot=True): super(McaWindow, self).removeCurve(legend, replot=False) if legend in self.dataObjectsDict.keys(): del self.dataObjectsDict[legend] self.dataObjectsList = self._curveList if replot: self.replot() def _replaceSelection(self, selectionlist): if DEBUG: print("_replaceSelection(self, selectionlist)",selectionlist) if type(selectionlist) == type([]): sellist = selectionlist else: sellist = [selectionlist] doit = False for sel in sellist: if "scanselection" in sel: if sel['scanselection'] not in [False, "MCA"]: continue doit = True break if not doit: return self.clearCurves() self.dataObjectsDict={} self.dataObjectsList=self._curveList self._addSelection(selectionlist) def graphCallback(self, ddict): if DEBUG: print("McaWindow._graphCallback", ddict) if ddict['event'] in ['markerMoved', 'markerSelected']: return self._handleMarkerEvent(ddict) elif ddict['event'] in ["mouseMoved", "MouseAt"]: if self.calibration == self.calboxoptions[0]: self._xPos.setText('%.2f' % ddict['x']) self._yPos.setText('%.2f' % ddict['y']) else: self._xPos.setText('%.4f' % ddict['x']) self._yPos.setText('%.2f' % ddict['y']) elif ddict['event'] in ["curveClicked", "legendClicked"]: legend = ddict.get('legend', None) legend = ddict.get('label', legend) if legend is None: if len(self.dataObjectsList): legend = self.dataObjectsList[0] else: return self.setActiveCurve(legend) elif ddict['event'] == "renameCurveEvent": legend = ddict['legend'] newlegend = ddict['newlegend'] if legend in self.dataObjectsDict: self.dataObjectsDict[newlegend]= copy.deepcopy(\ self.dataObjectsDict[legend]) self.dataObjectsDict[newlegend].info['legend'] = newlegend self.removeCurve(legend) self.addCurve(self.dataObjectsDict[newlegend].x[0], self.dataObjectsDict[newlegend].y[0], legend=newlegend, info=self.dataObjectsDict[newlegend].info['legend'], own=True, replot=False) if legend in self.caldict: self.caldict[newlegend] = copy.deepcopy(self.caldict[legend]) del self.dataObjectsDict[legend] self.replot() else: super(McaWindow, self).graphCallback(ddict) return self.sigPlotSignal.emit(ddict) def setActiveCurve(self, legend=None): if legend is None: legend = self.getActiveCurve(just_legend=True) if legend is None: self.controlWidget.calinfo.AText.setText("?????") self.controlWidget.calinfo.BText.setText("?????") self.controlWidget.calinfo.CText.setText("?????") return if legend in self.dataObjectsDict.keys(): x0 = self.dataObjectsDict[legend].x[0] y = self.dataObjectsDict[legend].y[0] #those are the actual data if str(self.getGraphXLabel()).upper() != "CHANNEL": #I have to get the energy A = self.controlWidget.calinfo.caldict['']['A'] B = self.controlWidget.calinfo.caldict['']['B'] C = self.controlWidget.calinfo.caldict['']['C'] order = self.controlWidget.calinfo.caldict['']['order'] else: A = 0.0 B = 1.0 C = 0.0 order = 1 calib = [A,B,C] if order == "TOF": x = calib[2] + calib[0] / pow(x0-calib[1],2) else: x = calib[0]+ \ calib[1]* x0 + \ calib[2]* x0 * x0 else: print("Received legend = ", legend) print("legends recognized = ", self.dataObjectsDict.keys()) print("Should not be here") return try: info = self.getCurve(legend)[3] calib = info['McaCalib'] self.controlWidget.calinfo.setParameters({'A':calib[0], 'B':calib[1], 'C':calib[2]}) except KeyError: self.controlWidget.calinfo.AText.setText("?????") self.controlWidget.calinfo.BText.setText("?????") self.controlWidget.calinfo.CText.setText("?????") xlabel = self.getGraphXLabel() ylabel = self.getGraphYLabel() super(McaWindow, self).setActiveCurve(legend, replot=False) self.setGraphXLabel(xlabel) self.setGraphYLabel(ylabel) self.replot() def _customFitSignalReceived(self, ddict): if ddict['event'] == "FitFinished": newDataObject = self.__customFitDataObject xplot = ddict['x'] yplot = ddict['yfit'] newDataObject.x = [xplot] newDataObject.y = [yplot] newDataObject.m = [numpy.ones(len(yplot)).astype(numpy.float)] #here I should check the log or linear status self.dataObjectsDict[newDataObject.info['legend']] = newDataObject self.addCurve(xplot, yplot, legend=newDataObject.info['legend'], own=True) def _scanFitSignalReceived(self, ddict): if DEBUG: print("_graphSignalReceived", ddict) if ddict['event'] == "EstimateFinished": return if ddict['event'] == "FitFinished": newDataObject = self.__fitDataObject xplot = self.scanFit.specfit.xdata * 1.0 yplot = self.scanFit.specfit.gendata(parameters=ddict['data']) newDataObject.x = [xplot] newDataObject.y = [yplot] newDataObject.m = [numpy.ones(len(yplot)).astype(numpy.float)] self.dataObjectsDict[newDataObject.info['legend']] = newDataObject self.addCurve(x=xplot, y=yplot, legend=newDataObject.info['legend'], own=True) def _saveIconSignal(self): legend = self.getActiveCurve(just_legend=True) if legend is None: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Please Select an active curve") msg.setWindowTitle('MCA window') msg.exec_() return #get outputfile self.outputDir = PyMcaDirs.outputDir if self.outputDir is None: self.outputDir = os.getcwd() wdir = os.getcwd() elif os.path.exists(self.outputDir): wdir = self.outputDir else: self.outputDir = os.getcwd() wdir = self.outputDir format_list = ['Specfile MCA *.mca', 'Specfile Scan *.dat', 'Raw ASCII *.txt', '";"-separated CSV *.csv', '","-separated CSV *.csv', '"tab"-separated CSV *.csv', 'OMNIC CSV *.csv', 'Widget PNG *.png', 'Widget JPG *.jpg', 'Graphics PNG *.png', 'Graphics EPS *.eps', 'Graphics SVG *.svg'] if self.outputFilter is None: self.outputFilter = format_list[0] fileList, fileFilter = PyMcaFileDialogs.getFileList(self, filetypelist=format_list, message="Output File Selection", currentdir=wdir, single=True, mode="SAVE", getfilter=True, currentfilter=self.outputFilter) if not len(fileList): return self.outputFilter = fileFilter filterused = self.outputFilter.split() filetype = filterused[1] extension = filterused[2] outdir=qt.safe_str(fileList[0]) try: self.outputDir = os.path.dirname(outdir) PyMcaDirs.outputDir = os.path.dirname(outdir) except: self.outputDir = "." try: outputFile = os.path.basename(outdir) except: outputFile = outdir #get active curve x, y, legend, info = self.getActiveCurve() if info is None: return ndict = {} ndict[legend] = {'order':1,'A':0.0,'B':1.0,'C':0.0} if self.getGraphXLabel().upper() == "CHANNEL": if legend in self.caldict: calibrationOrder = self.caldict[legend].get('McaCalibOrder',2) ndict[legend].update(self.caldict[legend]) if abs(ndict[legend]['C']) > 0.0: ndict[legend]['order'] = 2 elif 'McaCalib' in info: calibrationOrder = info.get('McaCalibOrder',2) if type(info['McaCalib'][0]) == type([]): calib = info['McaCalib'][0] else: calib = info['McaCalib'] if len(calib) > 1: ndict[legend]['A'] = calib[0] ndict[legend]['B'] = calib[1] if len(calib) >2: ndict[legend]['order'] = 2 ndict[legend]['C'] = calib[2] elif legend in self.dataObjectsDict: calibrationOrder = self.dataObjectsDict[legend].info.get('McaCalibOrder',2) if 'McaCalib' in self.dataObjectsDict[legend].info: calib = self.dataObjectsDict[legend].info['McaCalib'] ndict[legend]['A'] = calib[0] ndict[legend]['B'] = calib[1] ndict[legend]['C'] = calib[2] calib = [ndict[legend]['A'], ndict[legend]['B'], ndict[legend]['C']] if calibrationOrder == 'TOF': energy = calib[2] + calib[0] / pow(x - calib[1],2) else: energy = calib[0] + calib[1] * x + calib[2] * x * x else: #I have it in energy A = self.controlWidget.calinfo.caldict['']['A'] B = self.controlWidget.calinfo.caldict['']['B'] C = self.controlWidget.calinfo.caldict['']['C'] order = self.controlWidget.calinfo.caldict['']['order'] ndict[legend] = {'order':order,'A':A,'B':B,'C':C} calib = [A, B, C] energy = x * 1 if legend in self.dataObjectsDict.keys(): x0 = self.dataObjectsDict[legend].x[0] if order == 'TOF': x0 = calib[2] + calib[0] / pow(x0 - calib[1], 2) else: x0 = calib[0] + calib[1] * x0 + calib[2] * x0 * x0 if numpy.allclose(energy, x0): x = self.dataObjectsDict[legend].x[0] else: ndict[legend] = {'order':1,'A': 0.0, 'B':1.0, 'C': 1.0} #always overwrite for the time being if not outputFile.endswith(extension[1:]): outputFile += extension[1:] specFile = os.path.join(self.outputDir, outputFile) try: if os.path.exists(specFile): os.remove(specFile) except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Input Output Error: %s" % (sys.exc_info()[1])) msg.exec_() return systemline = os.linesep os.linesep = '\n' if filterused[0].upper() == "WIDGET": fformat = specFile[-3:].upper() pixmap = qt.QPixmap.grabWidget(self.getWidgetHandle()) if not pixmap.save(specFile, fformat): qt.QMessageBox.critical(self, "Save Error", "%s" % "I could not save the file\nwith the desired format") return if MATPLOTLIB: try: if specFile[-3:].upper() in ['EPS', 'PNG', 'SVG']: self.graphicsSave(specFile) return except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setWindowTitle("Save error") msg.setInformativeText("Graphics Saving Error: %s" % \ (sys.exc_info()[1])) msg.setDetailedText(traceback.format_exc()) msg.exec_() return try: if sys.version < "3.0": ffile = open(specFile, 'wb') else: ffile = open(specFile, 'w', newline='') except IOError: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Input Output Error: %s" % (sys.exc_info()[1])) msg.exec_() return systemline = os.linesep os.linesep = '\n' #This was giving problems on legends with a leading b #legend = legend.strip('') #legend = legend.strip('<\b>') try: if filetype == 'Scan': ffile.write("#F %s\n" % specFile) ffile.write("#D %s\n"%(time.ctime(time.time()))) ffile.write("\n") ffile.write("#S 1 %s\n" % legend) ffile.write("#D %s\n"%(time.ctime(time.time()))) ffile.write("#N 3\n") ffile.write("#L channel counts energy\n") for i in range(len(y)): ffile.write("%.7g %.7g %.7g\n" % (x[i], y[i], energy[i])) ffile.write("\n") elif filetype == 'ASCII': for i in range(len(y)): ffile.write("%.7g %.7g %.7g\n" % (x[i], y[i], energy[i])) elif filetype == 'CSV': if "," in filterused[0]: csv = "," elif ";" in filterused[0]: csv = ";" elif "OMNIC" in filterused[0]: csv = "," else: csv = "\t" if "OMNIC" in filterused[0]: for i in range(len(y)): ffile.write("%.7E%s%.7E\n" % \ (energy[i], csv, y[i])) else: ffile.write('"channel"%s"counts"%s"energy"\n' % (csv, csv)) for i in range(len(y)): ffile.write("%.7E%s%.7E%s%.7E\n" % \ (x[i], csv, y[i], csv, energy[i])) else: ffile.write("#F %s\n" % specFile) ffile.write("#D %s\n"%(time.ctime(time.time()))) ffile.write("\n") ffile.write("#S 1 %s\n" % legend) ffile.write("#D %s\n"%(time.ctime(time.time()))) ffile.write("#@MCA %16C\n") ffile.write("#@CHANN %d %d %d 1\n" % (len(y), x[0], x[-1])) ffile.write("#@CALIB %.7g %.7g %.7g\n" % (ndict[legend]['A'], ndict[legend]['B'], ndict[legend]['C'])) ffile.write(self.array2SpecMca(y)) ffile.write("\n") ffile.close() except: os.linesep = systemline raise return def _simpleOperation(self, operation): if operation != "save": return super(McaWindow, self)._simpleOperation(operation) else: return self._saveIconSignal() def getCalibrations(self): return copy.deepcopy(self.caldict) def setCalibrations(self, ddict=None): if ddict is None: ddict = {} self.caldict = ddict item, text = self.controlWidget.calbox.getCurrent() options = [] for option in self.calboxoptions: options.append(option) for key in self.caldict.keys(): if key not in options: options.append(key) try: self.controlWidget.calbox.setOptions(options) except: pass self.controlWidget.calbox.setCurrentIndex(item) self.refresh() #The plugins interface def _toggleLogY(self): if DEBUG: print("McaWindow _toggleLogY") self._ownSignal = True try: super(McaWindow, self)._toggleLogY() finally: self._ownSignal = None def _toggleLogX(self): if DEBUG: print("McaWindow _toggleLogX") self._ownSignal = True try: super(McaWindow, self)._toggleLogX() finally: self._ownSignal = None def getGraphYLimits(self): #if the active curve is mapped to second axis #I should give the second axis limits return super(McaWindow, self).getGraphYLimits() #end of plugins interface def addCurve(self, x, y, legend=None, info=None, replace=False, replot=True, color=None, symbol=None, linestyle=None, xlabel=None, ylabel=None, yaxis=None, xerror=None, yerror=None, own=None, **kw): if legend in self._curveList: if info is None: info = {} oldStuff = self.getCurve(legend) if oldStuff not in [[], None]: oldX, oldY, oldLegend, oldInfo = oldStuff else: oldInfo = {} if color is None: color = info.get("plot_color", oldInfo.get("plot_color", None)) if symbol is None: symbol = info.get("plot_symbol",oldInfo.get("plot_symbol", None)) if linestyle is None: if self._plotLines: linestyle = info.get("plot_linestyle",oldInfo.get("plot_linestyle", None)) if linestyle in [' ', None, '']: linestyle = '-' else: linestyle = ' ' if yaxis is None: yaxis = info.get("plot_yaxis",oldInfo.get("plot_yaxis", None)) if xlabel is None: xlabel = self.getGraphXLabel() if ylabel is None: ylabel = self.getGraphYLabel() if own is None: own = self._ownSignal if own and (legend in self.dataObjectsDict): # The curve is already registered super(McaWindow, self).addCurve(x, y, legend=legend, info=info, replace=replace, replot=replot, color=color, symbol=symbol, linestyle=linestyle, xlabel=xlabel, ylabel=ylabel, yaxis=yaxis, xerror=xerror, yerror=yerror, **kw) else: if legend in self.dataObjectsDict: xChannels, yOrig, infoOrig = self.getDataAndInfoFromLegend(legend) calib = info.get('McaCalib', [0.0, 1.0, 0.0]) calibrationOrder = info.get('McaCalibOrder',2) if calibrationOrder == 'TOF': xFromChannels = calib[2] + calib[0] / pow(xChannels-calib[1], 2) else: xFromChannels = calib[0] + \ calib[1] * xChannels + calib[2] * xChannels * xChannels if numpy.allclose(xFromChannels, x): x = xChannels # create the data object (Is this necessary????) self.newCurve(x, y, legend=legend, info=info, replace=replace, replot=replot, color=color, symbol=symbol, linestyle=linestyle, xlabel=xlabel, ylabel=ylabel, yaxis=yaxis, xerror=xerror, yerror=yerror, **kw) def newCurve(self, x, y, legend=None, info=None, replace=False, replot=True, color=None, symbol=None, linestyle=None, xlabel=None, ylabel=None, yaxis=None, xerror=None, yerror=None, **kw): if info is None: info = {} if legend is None: legend = "Unnamed curve 1.1" # this is awfull but I have no other way to pass the plot information ... if color is not None: info["plot_color"] = color if symbol is not None: info["plot_symbol"] = symbol if linestyle is not None: info["plot_linestyle"] = linestyle if yaxis is None: yaxis = info.get("plot_yaxis", None) if yaxis is not None: info["plot_yaxis"] = yaxis newDataObject = DataObject.DataObject() newDataObject.x = [x] newDataObject.y = [y] newDataObject.m = None newDataObject.info = copy.deepcopy(info) newDataObject.info['legend'] = legend newDataObject.info['SourceName'] = legend newDataObject.info['Key'] = "" newDataObject.info['selectiontype'] = "1D" sel_list = [] sel = {} sel['SourceType'] = "Operation" sel['SourceName'] = legend sel['Key'] = legend sel['legend'] = legend sel['dataobject'] = newDataObject sel['scanselection'] = False sel['selectiontype'] = "1D" sel_list.append(sel) if replace: self._replaceSelection(sel_list) else: self._addSelection(sel_list, replot=replot) def refresh(self): if DEBUG: print(" DANGEROUS REFRESH CALLED") activeCurve = self.getActiveCurve(just_legend=True) # try to keep the same curve order legendList = self.getAllCurves(just_legend=True) dataObjectsKeyList = list(self.dataObjectsDict.keys()) sellist = [] for key in legendList: if key in dataObjectsKeyList: sel ={} sel['SourceName'] = self.dataObjectsDict[key].info['SourceName'] sel['dataobject'] = self.dataObjectsDict[key] sel['legend'] = key sel['Key'] = self.dataObjectsDict[key].info['Key'] sellist.append(sel) for key in dataObjectsKeyList: if key not in legendList: sel ={} sel['SourceName'] = self.dataObjectsDict[key].info['SourceName'] sel['dataobject'] = self.dataObjectsDict[key] sel['legend'] = key sel['Key'] = self.dataObjectsDict[key].info['Key'] sellist.append(sel) self.clearCurves() self._addSelection(sellist) if activeCurve is not None: self.setActiveCurve(activeCurve) self.replot() def renameCurve(self, oldLegend, newLegend, replot=True): xChannels, yOrig, infoOrig = self.getDataAndInfoFromLegend(oldLegend) x, y, legend, info = self.getCurve(oldLegend)[:4] calib = info.get('McaCalib', [0.0, 1.0, 0.0]) calibrationOrder = info.get('McaCalibOrder',2) if calibrationOrder == 'TOF': xFromChannels = calib[2] + calib[0] / pow(xChannels-calib[1], 2) else: xFromChannels = calib[0] + \ calib[1] * xChannels + calib[2] * xChannels * xChannels if numpy.allclose(xFromChannels, x): x = xChannels newInfo = copy.deepcopy(info) newInfo['legend'] = newLegend newInfo['SourceName'] = newLegend newInfo['Key'] = "" newInfo['selectiontype'] = "1D" # create the data object (Is this necessary????) self.removeCurve(oldLegend, replot=False) self.addCurve(x, y, legend=newLegend, info=newInfo, replot=replot) self.updateLegends() def test(): w = McaWindow() x = numpy.arange(1000.) y = 10 * x + 10000. * numpy.exp(-0.5*(x-500)*(x-500)/400) w.addCurve(x, y, legend="dummy", replot=True, replace=True) w.resetZoom() app.lastWindowClosed.connect(app.quit) w.show() app.exec_() if __name__ == "__main__": test() PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/PyMcaNexusWidget.py0000644000276300001750000002261313173367502022375 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import posixpath import h5py from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaCore import DataObject from PyMca5.PyMcaGui.io.hdf5 import QNexusWidget from PyMca5.PyMcaGui.pymca import QStackWidget from PyMca5.PyMcaIO import HDF5Stack1D if hasattr(qt, 'QString'): QString = qt.QString else: QString = str DEBUG=0 class PyMcaNexusWidget(QNexusWidget.QNexusWidget): def __init__(self, *var, **kw): QNexusWidget.QNexusWidget.__init__(self, *var, **kw) def itemRightClickedSlot(self, ddict): is_numeric_dset = not (ddict['dtype'].startswith('|S') or ddict['dtype'].startswith('|U') or ddict['dtype'].startswith('|O') or ddict['dtype'] == '') filename = ddict['file'] fileIndex = self.data.sourceName.index(filename) phynxFile = self.data._sourceObjectList[fileIndex] _hdf5WidgetDatasetMenu = qt.QMenu(self) if not is_numeric_dset: # handle a right click on a group or on a dataset of string type _hdf5WidgetDatasetMenu.addAction(QString("Show Information"), self._showInfoWidgetSlot) else: # handle a right click on a numeric dataset _hdf5WidgetDatasetMenu.addAction(QString("Add to selection table"), self._addToSelectionTable) _hdf5WidgetDatasetMenu.addAction(QString("Show Information"), self._showInfoWidgetSlot) info = self.getInfo(phynxFile, ddict['name']) interpretation = info.get('interpretation', "") stack1D = False stack2D = False nDim = len(ddict['shape'].split('x')) if nDim > 1: stack1D = True if nDim == 3: stack2D = True if interpretation.lower() in ['image']: stack1D = False if interpretation.lower() in ['spectrum']: stack2D = False if stack1D: _hdf5WidgetDatasetMenu.addAction(QString("Show as 1D Stack"), self._stack1DSignal) _hdf5WidgetDatasetMenu.addAction(QString("Load and show as 1D Stack"), self._loadStack1DSignal) if stack2D: _hdf5WidgetDatasetMenu.addAction(QString("Show as 2D Stack"), self._stack2DSignal) _hdf5WidgetDatasetMenu.addAction(QString("Load and show as 2D Stack"), self._loadStack2DSignal) self._lastItemDict = ddict _hdf5WidgetDatasetMenu.exec_(qt.QCursor.pos()) self._lastItemDict= None return def _stack1DSignal(self): if DEBUG: print("_stack1DSignal") self._stackSignal(index=-1, load=False) def _loadStack1DSignal(self): if DEBUG: print("_stack1DSignal") self._stackSignal(index=-1, load=True) def _loadStack2DSignal(self): if DEBUG: print("_loadStack2DSignal") self._stackSignal(index=0, load=True) def _stack2DSignal(self, load=False): if DEBUG: print("_stack2DSignal") self._stackSignal(index=0, load=False) def _stackSignal(self, index=-1, load=False): ddict = self._lastItemDict filename = ddict['file'] name = ddict['name'] sel = {} sel['SourceName'] = self.data.sourceName * 1 sel['SourceType'] = "HDF5" fileIndex = self.data.sourceName.index(filename) phynxFile = self.data._sourceObjectList[fileIndex] title = filename + " " + name sel['selection'] = {} sel['selection']['sourcename'] = filename #single dataset selection scanlist = None sel['selection']['x'] = [] sel['selection']['y'] = [name] sel['selection']['m'] = [] sel['selection']['index'] = index self._checkWidgetDict() widget = QStackWidget.QStackWidget() widget.setWindowTitle(title) widget.notifyCloseEventToWidget(self) #different ways to fill the stack if h5py.version.version < '2.0': useInstance = True else: useInstance = False groupName = posixpath.dirname(name) if useInstance: #this crashes with h5py 1.x #this way it is not loaded into memory unless requested #and cannot crash because same instance is used stack = phynxFile[name] else: #create a new instance phynxFile = h5py.File(filename, 'r') stack = phynxFile[name] # try to find out the "energy" axis axesList = [] xData = None try: group = phynxFile[groupName] if 'axes' in stack.attrs.keys(): axes = stack.attrs['axes'] if sys.version > '2.9': try: axes = axes.decode('utf-8') except: print("WARNING: Cannot decode axes") axes = axes.split(":") for axis in axes: if axis in group.keys(): axesList.append(posixpath.join(groupName, axis)) if len(axesList): xData = phynxFile[axesList[index]].value except: # I cannot afford this Nexus specific things # to break the generic HDF5 functionality if DEBUG: raise axesList = [] #the only problem is that, if the shape is not of type (a, b, c), #it will not be possible to reshape it. In that case I have to #actually read the values nDim = len(stack.shape) if (load) or (nDim != 3): stack = stack.value shape = stack.shape if index == 0: #Stack of images n = 1 for dim in shape[:-2]: n = n * dim stack.shape = n, shape[-2], shape[-1] if len(axesList): if xData.size != n: xData = None else: #stack of mca n = 1 for dim in shape[:-1]: n = n * dim if nDim != 3: stack.shape = 1, n, shape[-1] if len(axesList): if xData.size != shape[-1]: xData = None #index equal -1 should be able to handle it #if not, one would have to uncomment next line #index = 2 actualStack = DataObject.DataObject() actualStack.data = stack if xData is not None: actualStack.x = [xData] widget.setStack(actualStack, mcaindex=index) wid = id(widget) self._lastWidgetId = wid self._widgetDict[wid] = widget widget.show() if __name__ == "__main__": try: #this is to add the 3D buttons ... from PyMca5 import Object3D except: #not a big deal for this tests pass app = qt.QApplication(sys.argv) w = PyMcaNexusWidget() if 0: w.setFile(sys.argv[1]) else: from PyMca5.PyMcaCore import NexusDataSource dataSource = NexusDataSource.NexusDataSource(sys.argv[1:]) w.setDataSource(dataSource) def addSelection(sel): print(sel) def removeSelection(sel): print(sel) def replaceSelection(sel): print(sel) w.show() w.sigAddSelection.connect(addSelection) w.sigRemoveSelection.connect(removeSelection) w.sigReplaceSelection.connect(replaceSelection) sys.exit(app.exec_()) PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/StackPluginResultsWindow.py0000644000276300001750000003131413136054446024170 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2015 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import numpy from PyMca5.PyMcaGui import PyMcaQt as qt if hasattr(qt, "QString"): QString = qt.QString else: QString = str from PyMca5.PyMcaGui.plotting.PyMca_Icons import IconDict from PyMca5.PyMcaGui.plotting import MaskImageWidget from PyMca5.PyMcaGui.plotting import ScatterPlotCorrelatorWidget from PyMca5.PyMcaGui.pymca import ScanWindow class StackPluginResultsWindow(MaskImageWidget.MaskImageWidget): def __init__(self, *var, **kw): ddict = {} ddict['usetab'] = kw.get("usetab",True) ddict['aspect'] = kw.get("aspect",True) ddict['profileselection'] = kw.get("profileselection",True) ddict.update(kw) ddict['standalonesave'] = False MaskImageWidget.MaskImageWidget.__init__(self, *var, **ddict) self.slider = qt.QSlider(self) self.slider.setOrientation(qt.Qt.Horizontal) self.slider.setMinimum(0) self.slider.setMaximum(0) if ddict['usetab']: # The 1D graph self.spectrumGraph = ScanWindow.ScanWindow(self) self.mainTab.addTab(self.spectrumGraph, "VECTORS") self.mainLayout.addWidget(self.slider) self.slider.valueChanged[int].connect(self._showImage) self.imageList = None self.spectrumList = None self.spectrumNames = None self.spectrumGraphTitles = None standalonesave = kw.get("standalonesave", True) if standalonesave: self.graphWidget.saveToolButton.clicked.connect(\ self._saveToolButtonSignal) self._saveMenu = qt.QMenu() self._saveMenu.addAction(QString("Image Data"), self.saveImageList) self._saveMenu.addAction(QString("Standard Graphics"), self.graphWidget._saveIconSignal) self._saveMenu.addAction(QString("Matplotlib") , self._saveMatplotlibImage) self.multiplyIcon = qt.QIcon(qt.QPixmap(IconDict["swapsign"])) infotext = "Multiply image by -1" self.multiplyButton = self.graphWidget._addToolButton(\ self.multiplyIcon, self._multiplyIconChecked, infotext, toggle = False, position = 12) # The density plot widget self.__scatterPlotWidgetDataToUpdate = True self.scatterPlotWidget = ScatterPlotCorrelatorWidget.ScatterPlotCorrelatorWidget(None, labels=["Legend", "X", "Y"], types=["Text", "RadioButton", "RadioButton"], maxNRois=1) self.__scatterPlotWidgetDataToUpdate = True self.__maskToScatterConnected = True self.sigMaskImageWidgetSignal.connect(self._internalSlot) self.scatterPlotWidget.sigMaskScatterWidgetSignal.connect( \ self._internalSlot) # add the command to show it to the menu self.additionalSelectionMenu().addAction(QString("Show scatter plot"), self.showScatterPlot) def sizeHint(self): return qt.QSize(400, 400) def _multiplyIconChecked(self): if self.imageList is None: return index = self.slider.value() self.imageList[index] *= -1 if self.spectrumList is not None: self.spectrumList[index] *= -1 self._showImage(index) # scatter plot related self.__scatterPlotWidgetDataToUpdate = True self._updateScatterPlotWidget() def _showImage(self, index): if len(self.imageList): self.showImage(index, moveslider=False) if self.spectrumList is not None: legend = self.spectrumNames[index] x = self.xValues[index] y = self.spectrumList[index] self.spectrumGraph.addCurve(x, y, legend, replace=True) if self.spectrumGraphTitles is not None: self.spectrumGraph.setGraphTitle(self.spectrumGraphTitles[index]) def buildAndConnectImageButtonBox(self, replace=True, multiple=False): super(StackPluginResultsWindow, self).\ buildAndConnectImageButtonBox(replace=replace, multiple=multiple) def showImage(self, index=0, moveslider=True): if self.imageList is None: return if len(self.imageList) == 0: return # first the title to update any related selection curve legend self.graphWidget.graph.setGraphTitle(self.imageNames[index]) self.setImageData(self.imageList[index]) if moveslider: self.slider.setValue(index) def setStackPluginResults(self, images, spectra=None, image_names = None, spectra_names = None, xvalues=None, spectra_titles=None): self.spectrumList = spectra if type(images) == type([]): self.imageList = images if image_names is None: self.imageNames = [] for i in range(nimages): self.imageNames.append("Image %02d" % i) else: self.imageNames = image_names elif len(images.shape) == 3: nimages = images.shape[0] self.imageList = [0] * nimages for i in range(nimages): self.imageList[i] = images[i,:] if 0: #leave the data as they originally come if self.imageList[i].max() < 0: self.imageList[i] *= -1 if self.spectrumList is not None: self.spectrumList [i] *= -1 if image_names is None: self.imageNames = [] for i in range(nimages): self.imageNames.append("Image %02d" % i) else: self.imageNames = image_names if self.imageList is not None: self.slider.setMaximum(len(self.imageList)-1) self.showImage(0) else: self.slider.setMaximum(0) if self.spectrumList is not None: if spectra_names is None: self.spectrumNames = [] for i in range(nimages): self.spectrumNames.append("Spectrum %02d" % i) else: self.spectrumNames = spectra_names if xvalues is None: self.xValues = [] for i in range(nimages): self.xValues.append(numpy.arange(len(self.spectrumList[0]))) else: self.xValues = xvalues self.spectrumGraphTitles = spectra_titles legend = self.spectrumNames[0] x = self.xValues[0] y = self.spectrumList[0] self.spectrumGraph.addCurve(x, y, legend, replace=True) if self.spectrumGraphTitles is not None: self.spectrumGraph.setGraphTitle(self.spectrumGraphTitles[0]) self.slider.setValue(0) # scatter plot related self.__scatterPlotWidgetDataToUpdate = True self._updateScatterPlotWidget() def _updateScatterPlotWidget(self): w = self.scatterPlotWidget if self.__scatterPlotWidgetDataToUpdate: for i in range(len(self.imageNames)): w.addSelectableItem(self.imageList[i], self.imageNames[i]) self.__scatterPlotWidgetDataToUpdate = False w.setPolygonSelectionMode() w.setSelectionMask(self.getSelectionMask()) def _internalSlot(self, ddict): if ddict["id"] == id(self): # signal generated by this instance # only the the scatter plot to be updated unless hidden if self.scatterPlotWidget.isHidden(): return if ddict["event"] in ["selectionMaskChanged", "resetSelection", "invertSelection"]: mask = self.getSelectionMask() if mask is None: mask = numpy.zeros(self.imageList[0].shape, numpy.uint8) self.scatterPlotWidget.setSelectionMask(mask) elif ddict["id"] == id(self.scatterPlotWidget): # signal generated by the scatter plot if ddict["event"] in ["selectionMaskChanged", "resetSelection", "invertSelection"]: mask = self.scatterPlotWidget.getSelectionMask() super(StackPluginResultsWindow, self).setSelectionMask(mask, plot=True) ddict["id"] = id(self) try: self.__maskToScatterConnected = False self.sigMaskImageWidgetSignal.emit(ddict) finally: self.__maskToScatterConnected = True def setSelectionMask(self, *var, **kw): super(StackPluginResultsWindow, self).setSelectionMask(*var, **kw) if not self.scatterPlotWidget.isHidden(): self._updateScatterPlotWidget() def showScatterPlot(self): if self.scatterPlotWidget.isHidden(): # it needs update self._updateScatterPlotWidget() self.scatterPlotWidget.show() def saveImageList(self, filename=None, imagelist=None, labels=None): if self.imageList is None: return labels = [] for i in range(len(self.imageList)): labels.append(self.imageNames[i].replace(" ","_")) return MaskImageWidget.MaskImageWidget.saveImageList(self, imagelist=self.imageList, labels=labels) def setImageList(self, imagelist): self.imageList = imagelist self.spectrumList = None if imagelist is not None: self.slider.setMaximum(len(self.imageList)-1) self.showImage(0) def _addAllImageClicked(self): ddict = {} ddict['event'] = "addAllClicked" ddict['images'] = self.imageList ddict['titles'] = self.imageNames ddict['id'] = id(self) self.emitMaskImageSignal(ddict) def test(): app = qt.QApplication([]) app.lastWindowClosed.connect(app.quit) container = StackPluginResultsWindow() data = numpy.arange(20000) data.shape = 2, 100, 100 data[1, 0:100,0:50] = 100 container.setStackPluginResults(data, spectra=[numpy.arange(100.), numpy.arange(100.)+10], image_names=["I1", "I2"], spectra_names=["V1", "V2"]) container.show() def theSlot(ddict): print(ddict['event']) container.sigMaskImageWidgetSignal.connect(theSlot) app.exec_() if __name__ == "__main__": import numpy test() PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/QSource.py0000644000276300001750000001552213136054446020556 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2016 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys from PyMca5.PyMcaGui import PyMcaQt as qt QTVERSION = qt.qVersion() DEBUG = 0 SOURCE_EVENT = qt.QEvent.User class SourceEvent(qt.QEvent): def __init__(self, ddict=None): if ddict is None: ddict = {} self.dict = ddict qt.QEvent.__init__(self, SOURCE_EVENT) import time try: import thread except ImportError: import _thread as thread import weakref class QSource(qt.QObject): sigUpdated = qt.pyqtSignal(object) def __init__(self): qt.QObject.__init__(self, None) #no parent self.surveyDict = {} self.selections = {} self._pollTime = 0.7 #700 ms self.pollerThreadId = None def setPollTime(self, pollTime): """Set polling time (in milliseconds)""" self._pollTime = max(pollTime * 0.001, 0.001) return self._pollTime * 1000 def getPollTime(self): return self._pollTime * 1000 def addToPoller(self, dataObject): """Set polling for data object""" sourceName = dataObject.info['SourceName'] if sourceName != self.sourceName: raise KeyError("Trying to survey key %s on wrong source %s" % (self.sourceName,dataObject.info['SourceName'])) #that is general to any source key = dataObject.info['Key'] reference = id(dataObject) def dataObjectDestroyed(ref, dataObjectKey=key, dataObjectRef=reference): if DEBUG: print('data object destroyed, key was %s' % dataObjectKey) print('data object destroyed, ref was 0x%x' % dataObjectRef) print("self.surveyDict[key] = ",self.surveyDict[key]) n = len(self.surveyDict[dataObjectKey]) if n > 0: n = list(range(n)) n.reverse() for i in n: if not len(dir(self.surveyDict[dataObjectKey][i])): del self.surveyDict[dataObjectKey][i] if len(self.surveyDict[dataObjectKey]) == 0: del self.surveyDict[dataObjectKey] if DEBUG: print("SURVEY DICT AFTER DELETION = ", self.surveyDict) return # create a weak reference to the dataObject and we call it dataObjectRef dataObjectRef=weakref.proxy(dataObject, dataObjectDestroyed) try: if dataObjectRef not in self.surveyDict[key]: self.surveyDict[key].append(dataObjectRef) self.selections[key].append((id(dataObjectRef), dataObjectRef.info)) except KeyError: self.surveyDict[key] = [dataObjectRef] self.selections[key] = [(id(dataObjectRef), dataObjectRef.info)] except ReferenceError: if DEBUG: print("NOT ADDED TO THE POLL dataObject = ", dataObject) return if DEBUG: print("SURVEY DICT AFTER ADDITION = ", self.surveyDict) if self.pollerThreadId is None: # start a new polling thread #print "starting new thread" self.pollerThreadId = thread.start_new_thread(self.__run, ()) def __run(self): #print "RUN" while len(self.surveyDict) > 0: #for key in self.surveyDict is dangerous # runtime error: dictionnary changed during iteration # a mutex is needed if DEBUG: print("In loop") dummy = list(self.surveyDict.keys()) eventsToPost = {} #for key in self.surveyDict: for key in dummy: if key not in eventsToPost: eventsToPost[key] = [] if self.isUpdated(self.sourceName, key): if DEBUG: print(self.sourceName,key,"is updated") try: if len(self.surveyDict[key]): #there are still instances of dataObjects event = SourceEvent() event.dict['Key'] = key event.dict['event'] = 'updated' event.dict['id'] = self.surveyDict[key] scanselection = False if 'scanselection' in self.surveyDict[key][0].info: scanselection = \ self.surveyDict[key][0].info['scanselection'] if (key == 'SCAN_D') or scanselection: event.dict['scanselection'] = True else: event.dict['scanselection'] = False eventsToPost[key].append(event) else: del self.surveyDict[key] del self.selections[key] except KeyError: if DEBUG: print("key error in loop") pass for key in eventsToPost: for event in eventsToPost[key]: qt.QApplication.postEvent(self, event) qt.QApplication.instance().processEvents() time.sleep(self._pollTime) if DEBUG: print("woke up") self.pollerThreadId = None self.selections = {} PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/PyMcaPostBatch.py0000644000276300001750000001406613136054446022020 0ustar solebliss00000000000000#!/usr/bin/env python #/*########################################################################## # Copyright (C) 2004-2016 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os from PyMca5 import PyMcaDirs from PyMca5.PyMcaGui import PyMcaFileDialogs from PyMca5.PyMcaGui import RGBCorrelator from PyMca5.PyMcaGui import PyMcaQt as qt if hasattr(qt, "QString"): QString = qt.QString QStringList = qt.QStringList else: QString = qt.safe_str QStringList = list QTVERSION = qt.qVersion() class PyMcaPostBatch(RGBCorrelator.RGBCorrelator): def addBatchDatFile(self, filename, ignoresigma=None): #test if filename is an EDF ... #this is a more complete test #but it would rewire to import too many things #import QDataSource #sourceType = QDataSource.getSourceType(filename) #if sourceType.upper().startswith("EDFFILE"): # return self.addFileList([filename]) f = open(filename, 'rb') twoBytes = f.read(2) f.close() if sys.version < '3.0': twoChar = twoBytes else: try: twoChar = twoBytes.decode('utf-8') except: twoChar = "__dummy__" if twoChar in ["II", "MM", "\n{"] or\ twoChar[0] in ["{"] or\ filename.lower().endswith('cbf')or\ (filename.lower().endswith('spe') and twoChar[0] not in ['$']): #very likely wrapped as EDF return self.addFileList([filename]) text = qt.safe_str(self.windowTitle()) text += ": " + qt.safe_str(os.path.basename(filename)) self.setWindowTitle(text) if len(filename) > 4: if filename[-4:] == ".csv": csv = True else: csv = False self.controller.addBatchDatFile(filename, ignoresigma, csv=csv) def addFileList(self, filelist): """ Expected to work just with EDF files """ text = qt.safe_str(self.windowTitle()) if len(filelist) == 1: text += ": " + qt.safe_str(os.path.basename(filelist[0])) else: text += ": from " + qt.safe_str(os.path.basename(filelist[0])) + \ " to " + qt.safe_str(os.path.basename(filelist[-1])) self.setWindowTitle(text) self.controller.addFileList(filelist) def _getStackOfFiles(self): wdir = PyMcaDirs.inputDir fileTypeList = ["Batch Result Files (*dat)", "EDF Files (*edf)", "EDF Files (*ccd)", "TIFF Files (*tif *tiff *TIF *TIFF)", "Image Files (* jpg *jpeg *tif *tiff *png)", "All Files (*)"] message = "Open ONE Batch result file or SEVERAL EDF files" filelist = PyMcaFileDialogs.getFileList(parent=self, filetypelist=fileTypeList, message=message, currentdir=wdir, mode="OPEN", single=False) if not len(filelist): return [] PyMcaDirs.inputDir = os.path.dirname(filelist[0]) return filelist def test(): sys.excepthook = qt.exceptionHandler app = qt.QApplication([]) app.lastWindowClosed.connect(app.quit) import getopt options='' longoptions=["nativefiledialogs=","transpose=", "fileindex="] opts, args = getopt.getopt( sys.argv[1:], options, longoptions) transpose=False for opt,arg in opts: if opt in '--nativefiledialogs': if int(arg): PyMcaDirs.nativeFileDialogs=True else: PyMcaDirs.nativeFileDialogs=False elif opt in '--transpose': if int(arg): transpose=True elif opt in '--fileindex': if int(arg): transpose=True filelist=args w = PyMcaPostBatch() w.layout().setContentsMargins(11, 11, 11, 11) if not len(filelist): filelist = w._getStackOfFiles() if not len(filelist): print("Usage:") print("python PyMcaPostBatch.py PyMCA_BATCH_RESULT_DOT_DAT_FILE") sys.exit(app.quit()) if len(filelist) == 1: if filelist[0].lower().endswith("dat"): try: w.addBatchDatFile(filelist[0]) except ValueError: w.addFileList(filelist) else: w.addFileList(filelist) else: w.addFileList(filelist) if transpose: w.transposeImages() w.show() app.exec_() if __name__ == "__main__": test() PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/ScanWindow.py0000644000276300001750000020426713173367502021260 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2017 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os import numpy #from numpy import argsort, nonzero, take import time import traceback from PyMca5.PyMcaGui import PyMcaQt as qt if hasattr(qt, 'QString'): QString = qt.QString else: QString = qt.safe_str if __name__ == "__main__": app = qt.QApplication([]) from PyMca5.PyMcaGui.io import PyMcaFileDialogs from PyMca5.PyMcaGui.plotting import PlotWindow from . import ScanFit from PyMca5.PyMcaMath import SimpleMath from PyMca5.PyMcaCore import DataObject import copy from PyMca5.PyMcaGui import PyMcaPrintPreview from PyMca5.PyMcaCore import PyMcaDirs from . import ScanWindowInfoWidget #implement the plugins interface from PyMca5.PyMcaGui import QPyMcaMatplotlibSave1D MATPLOTLIB = True #force understanding of utf-8 encoding #otherways it cannot generate svg output try: import encodings.utf_8 except: #not a big problem pass PLUGINS_DIR = None try: import PyMca5 if os.path.exists(os.path.join(os.path.dirname(PyMca5.__file__), "PyMcaPlugins")): from PyMca5 import PyMcaPlugins PLUGINS_DIR = os.path.dirname(PyMcaPlugins.__file__) else: directory = os.path.dirname(__file__) while True: if os.path.exists(os.path.join(directory, "PyMcaPlugins")): PLUGINS_DIR = os.path.join(directory, "PyMcaPlugins") break directory = os.path.dirname(directory) if len(directory) < 5: break userPluginsDirectory = PyMca5.getDefaultUserPluginsDirectory() if userPluginsDirectory is not None: if PLUGINS_DIR is None: PLUGINS_DIR = userPluginsDirectory else: PLUGINS_DIR = [PLUGINS_DIR, userPluginsDirectory] except: pass DEBUG = 0 class ScanWindow(PlotWindow.PlotWindow): def __init__(self, parent=None, name="Scan Window", specfit=None, backend=None, plugins=True, newplot=True, roi=True, fit=True, control=True, position=True, info=False, **kw): super(ScanWindow, self).__init__(parent, newplot=newplot, plugins=plugins, backend=backend, roi=roi, fit=fit, control=control, position=position, **kw) self.setDataMargins(0, 0, 0.025, 0.025) #self._togglePointsSignal() self.setPanWithArrowKeys(True) self.setWindowType("SCAN") # this two objects are the same self.dataObjectsList = self._curveList # but this is tricky self.dataObjectsDict = {} self.setWindowTitle(name) self.matplotlibDialog = None if PLUGINS_DIR is not None: if type(PLUGINS_DIR) == type([]): pluginDir = PLUGINS_DIR else: pluginDir = [PLUGINS_DIR] self.getPlugins(method="getPlugin1DInstance", directoryList=pluginDir) if info: self.scanWindowInfoWidget = ScanWindowInfoWidget.\ ScanWindowInfoWidget() self.infoDockWidget = qt.QDockWidget(self) self.infoDockWidget.layout().setContentsMargins(0, 0, 0, 0) self.infoDockWidget.setWidget(self.scanWindowInfoWidget) self.infoDockWidget.setWindowTitle(self.windowTitle()+(" Info")) self.addDockWidget(qt.Qt.BottomDockWidgetArea, self.infoDockWidget) controlMenu = qt.QMenu() controlMenu.addAction(QString("Show/Hide Legends"), self.toggleLegendWidget) controlMenu.addAction(QString("Show/Hide Info"), self._toggleInfoWidget) controlMenu.addAction(QString("Toggle Crosshair"), self.toggleCrosshairCursor) controlMenu.addAction(QString("Toggle Arrow Keys Panning"), self.toggleArrowKeysPanning) self.setControlMenu(controlMenu) else: self.scanWindowInfoWidget = None #self.fig = None if fit: self.scanFit = ScanFit.ScanFit(specfit=specfit) self.printPreview = PyMcaPrintPreview.PyMcaPrintPreview(modal = 0) self.simpleMath = SimpleMath.SimpleMath() self.outputDir = None self.outputFilter = None #signals # this one was made in the base class #self.setCallback(self.graphCallback) if fit: from PyMca5.PyMcaGui.math.fitting import SimpleFitGui self.customFit = SimpleFitGui.SimpleFitGui() self.scanFit.sigScanFitSignal.connect(self._scanFitSignalReceived) self.customFit.sigSimpleFitSignal.connect( \ self._customFitSignalReceived) self.fitButtonMenu = qt.QMenu() self.fitButtonMenu.addAction(QString("Simple Fit"), self._simpleFitSignal) self.fitButtonMenu.addAction(QString("Customized Fit") , self._customFitSignal) def _toggleInfoWidget(self): if self.infoDockWidget.isHidden(): self.infoDockWidget.show() legend = self.getActiveCurve(just_legend=True) if legend is not None: ddict ={} ddict['event'] = "curveClicked" ddict['label'] = legend ddict['legend'] = legend self.graphCallback(ddict) else: self.infoDockWidget.hide() def _buildLegendWidget(self): if self.legendWidget is None: super(ScanWindow, self)._buildLegendWidget() if hasattr(self, "infoDockWidget") and \ hasattr(self, "roiDockWidget"): self.tabifyDockWidget(self.infoDockWidget, self.roiDockWidget, self.legendDockWidget) elif hasattr(self, "infoDockWidget"): self.tabifyDockWidget(self.infoDockWidget, self.legendDockWidget) def _toggleROI(self, position=None): super(ScanWindow, self)._toggleROI(position=position) if hasattr(self, "infoDockWidget"): self.tabifyDockWidget(self.infoDockWidget, self.roiDockWidget) def setDispatcher(self, w): w.sigAddSelection.connect(self._addSelection) w.sigRemoveSelection.connect(self._removeSelection) w.sigReplaceSelection.connect(self._replaceSelection) def _addSelection(self, selectionlist, replot=True): if DEBUG: print("_addSelection(self, selectionlist)",selectionlist) if type(selectionlist) == type([]): sellist = selectionlist else: sellist = [selectionlist] if len(self._curveList): activeCurve = self.getActiveCurve(just_legend=True) else: activeCurve = None nSelection = len(sellist) for selectionIndex in range(nSelection): sel = sellist[selectionIndex] if selectionIndex == (nSelection - 1): actualReplot = replot else: actualReplot = False source = sel['SourceName'] key = sel['Key'] legend = sel['legend'] #expected form sourcename + scan key if not ("scanselection" in sel): continue if sel['scanselection'] == "MCA": continue if not sel["scanselection"]:continue if len(key.split(".")) > 2: continue dataObject = sel['dataobject'] #only one-dimensional selections considered if dataObject.info["selectiontype"] != "1D": continue #there must be something to plot if not hasattr(dataObject, 'y'): continue if not hasattr(dataObject, 'x'): ylen = len(dataObject.y[0]) if ylen: xdata = numpy.arange(ylen).astype(numpy.float) else: #nothing to be plot continue if dataObject.x is None: ylen = len(dataObject.y[0]) if ylen: xdata = numpy.arange(ylen).astype(numpy.float) else: #nothing to be plot continue elif len(dataObject.x) > 1: if DEBUG: print("Mesh plots") continue else: xdata = dataObject.x[0] sps_source = False if 'SourceType' in sel: if sel['SourceType'] == 'SPS': sps_source = True if sps_source: ycounter = -1 if 'selection' not in dataObject.info: dataObject.info['selection'] = copy.deepcopy(sel['selection']) for ydata in dataObject.y: xlabel = None ylabel = None ycounter += 1 if dataObject.m is None: mdata = [numpy.ones(len(ydata)).astype(numpy.float)] elif len(dataObject.m[0]) > 0: if len(dataObject.m[0]) == len(ydata): index = numpy.nonzero(dataObject.m[0])[0] if not len(index): continue xdata = numpy.take(xdata, index) ydata = numpy.take(ydata, index) mdata = numpy.take(dataObject.m[0], index) #A priori the graph only knows about plots ydata = ydata/mdata else: raise ValueError("Monitor data length different than counter data") else: mdata = [numpy.ones(len(ydata)).astype(numpy.float)] ylegend = 'y%d' % ycounter if dataObject.info['selection'] is not None: if type(dataObject.info['selection']) == type({}): if 'x' in dataObject.info['selection']: #proper scan selection ilabel = dataObject.info['selection']['y'][ycounter] ylegend = dataObject.info['LabelNames'][ilabel] ylabel = ylegend if sel['selection']['x'] is not None: if len(dataObject.info['selection']['x']): xlabel = dataObject.info['LabelNames'] \ [dataObject.info['selection']['x'][0]] dataObject.info["xlabel"] = xlabel dataObject.info["ylabel"] = ylabel newLegend = legend + " " + ylegend self.dataObjectsDict[newLegend] = dataObject self.addCurve(xdata, ydata, legend=newLegend, info=dataObject.info, xlabel=xlabel, ylabel=ylabel, replot=False) # replot=actualReplot) if self.scanWindowInfoWidget is not None: if not self.infoDockWidget.isHidden(): activeLegend = self.getActiveCurve(just_legend=True) if activeLegend is not None: if activeLegend == newLegend: self.scanWindowInfoWidget.updateFromDataObject\ (dataObject) else: dummyDataObject = DataObject.DataObject() dummyDataObject.y=[numpy.array([])] dummyDataObject.x=[numpy.array([])] self.scanWindowInfoWidget.updateFromDataObject(dummyDataObject) else: #we have to loop for all y values ycounter = -1 for ydata in dataObject.y: ylen = len(ydata) if ylen == 1: if len(xdata) > 1: ydata = ydata[0] * numpy.ones(len(xdata)).astype(numpy.float) elif len(xdata) == 1: xdata = xdata[0] * numpy.ones(ylen).astype(numpy.float) ycounter += 1 newDataObject = DataObject.DataObject() newDataObject.info = copy.deepcopy(dataObject.info) if dataObject.m is None: mdata = numpy.ones(len(ydata)).astype(numpy.float) elif len(dataObject.m[0]) > 0: if len(dataObject.m[0]) == len(ydata): index = numpy.nonzero(dataObject.m[0])[0] if not len(index): continue xdata = numpy.take(xdata, index) ydata = numpy.take(ydata, index) mdata = numpy.take(dataObject.m[0], index) #A priori the graph only knows about plots ydata = ydata/mdata elif len(dataObject.m[0]) == 1: mdata = numpy.ones(len(ydata)).astype(numpy.float) mdata *= dataObject.m[0][0] index = numpy.nonzero(dataObject.m[0])[0] if not len(index): continue xdata = numpy.take(xdata, index) ydata = numpy.take(ydata, index) mdata = numpy.take(dataObject.m[0], index) #A priori the graph only knows about plots ydata = ydata/mdata else: raise ValueError("Monitor data length different than counter data") else: mdata = numpy.ones(len(ydata)).astype(numpy.float) newDataObject.x = [xdata] newDataObject.y = [ydata] newDataObject.m = [mdata] newDataObject.info['selection'] = copy.deepcopy(sel['selection']) ylegend = 'y%d' % ycounter xlabel = None ylabel = None if sel['selection'] is not None: if type(sel['selection']) == type({}): if 'x' in sel['selection']: #proper scan selection newDataObject.info['selection']['x'] = sel['selection']['x'] newDataObject.info['selection']['y'] = [sel['selection']['y'][ycounter]] newDataObject.info['selection']['m'] = sel['selection']['m'] ilabel = newDataObject.info['selection']['y'][0] ylegend = newDataObject.info['LabelNames'][ilabel] ylabel = ylegend if len(newDataObject.info['selection']['x']): ilabel = newDataObject.info['selection']['x'][0] xlabel = newDataObject.info['LabelNames'][ilabel] else: xlabel = "Point number" if ('operations' in dataObject.info) and len(dataObject.y) == 1: newDataObject.info['legend'] = legend symbol = 'x' else: symbol=None newDataObject.info['legend'] = legend + " " + ylegend newDataObject.info['selectionlegend'] = legend yaxis = None if "plot_yaxis" in dataObject.info: yaxis = dataObject.info["plot_yaxis"] elif 'operations' in dataObject.info: if dataObject.info['operations'][-1] == 'derivate': yaxis = 'right' #print("sending legend = ", newDataObject.info['legend'], "replot = ", False) self.dataObjectsDict[newDataObject.info['legend']] = newDataObject self.addCurve(xdata, ydata, legend=newDataObject.info['legend'], info=newDataObject.info, symbol=symbol, yaxis=yaxis, xlabel=xlabel, ylabel=ylabel, replot=False) self.dataObjectsList = self._curveList try: if activeCurve is None: if len(self._curveList) > 0: activeCurve = self._curveList[0] ddict = {} ddict['event'] = "curveClicked" ddict['label'] = activeCurve self.graphCallback(ddict) finally: if replot: #self.replot() self.resetZoom() self.updateLegends() def _removeSelection(self, selectionlist): if DEBUG: print("_removeSelection(self, selectionlist)",selectionlist) if type(selectionlist) == type([]): sellist = selectionlist else: sellist = [selectionlist] removelist = [] for sel in sellist: source = sel['SourceName'] key = sel['Key'] if not ("scanselection" in sel): continue if sel['scanselection'] == "MCA": continue if not sel["scanselection"]:continue if len(key.split(".")) > 2: continue legend = sel['legend'] #expected form sourcename + scan key if type(sel['selection']) == type({}): if 'y' in sel['selection']: for lName in ['cntlist', 'LabelNames']: if lName in sel['selection']: for index in sel['selection']['y']: removelist.append(legend +" "+\ sel['selection'][lName][index]) if len(removelist): self.removeCurves(removelist) def removeCurves(self, removeList, replot=True): for legend in removeList: if legend == removeList[-1]: self.removeCurve(legend, replot=replot) else: self.removeCurve(legend, replot=False) if legend in self.dataObjectsDict: del self.dataObjectsDict[legend] self.dataObjectsList = self._curveList def _replaceSelection(self, selectionlist): if DEBUG: print("_replaceSelection(self, selectionlist)",selectionlist) if type(selectionlist) == type([]): sellist = selectionlist else: sellist = [selectionlist] doit = 0 for sel in sellist: if not ("scanselection" in sel): continue if sel['scanselection'] == "MCA": continue if not sel["scanselection"]:continue if len(sel["Key"].split(".")) > 2: continue dataObject = sel['dataobject'] if dataObject.info["selectiontype"] == "1D": if hasattr(dataObject, 'y'): doit = 1 break if not doit: return self.clearCurves() self.dataObjectsDict={} self.dataObjectsList=self._curveList self._addSelection(selectionlist, replot=True) def _handleMarkerEvent(self, ddict): if ddict['event'] == 'markerMoved': label = ddict['label'] if label.startswith('ROI'): return self._handleROIMarkerEvent(ddict) else: if DEBUG: print("Unhandled marker %s" % label) return def graphCallback(self, ddict): if DEBUG: print("graphCallback", ddict) if ddict['event'] in ['markerMoved', 'markerSelected']: self._handleMarkerEvent(ddict) elif ddict['event'] in ["mouseMoved", "MouseAt"]: if self._toggleCounter > 0: activeCurve = self.getActiveCurve() if activeCurve in [None, []]: self._handleMouseMovedEvent(ddict) else: x, y, legend, info = activeCurve[0:4] # calculate the maximum distance xMin, xMax = self.getGraphXLimits() maxXDistance = abs(xMax - xMin) yMin, yMax = self.getGraphYLimits() maxYDistance = abs(yMax - yMin) if (maxXDistance > 0.0) and (maxYDistance > 0.0): closestIndex = (pow((x - ddict['x'])/maxXDistance, 2) + \ pow((y - ddict['y'])/maxYDistance, 2)) else: closestIndex = (pow(x - ddict['x'], 2) + \ pow(y - ddict['y'], 2)) xText = '----' yText = '----' if len(closestIndex): closestIndex = closestIndex.argmin() xCurve = x[closestIndex] if abs(xCurve - ddict['x']) < (0.05 * maxXDistance): yCurve = y[closestIndex] if abs(yCurve - ddict['y']) < (0.05 * maxYDistance): xText = '%.7g' % xCurve yText = '%.7g' % yCurve if xText == '----': if self.getGraphCursor(): self._xPos.setStyleSheet("color: rgb(255, 0, 0);") self._yPos.setStyleSheet("color: rgb(255, 0, 0);") xText = '%.7g' % ddict['x'] yText = '%.7g' % ddict['y'] else: self._xPos.setStyleSheet("color: rgb(0, 0, 0);") self._yPos.setStyleSheet("color: rgb(0, 0, 0);") else: self._xPos.setStyleSheet("color: rgb(0, 0, 0);") self._yPos.setStyleSheet("color: rgb(0, 0, 0);") self._xPos.setText(xText) self._yPos.setText(yText) else: self._xPos.setStyleSheet("color: rgb(0, 0, 0);") self._yPos.setStyleSheet("color: rgb(0, 0, 0);") self._handleMouseMovedEvent(ddict) elif ddict['event'] in ["curveClicked", "legendClicked"]: legend = ddict["label"] if legend is None: if len(self.dataObjectsList): legend = self.dataObjectsList[0] else: return if legend not in self.dataObjectsList: if DEBUG: print("unknown legend %s" % legend) return #force the current x label to the appropriate value dataObject = self.dataObjectsDict[legend] if 'selection' in dataObject.info: ilabel = dataObject.info['selection']['y'][0] ylabel = dataObject.info['LabelNames'][ilabel] if len(dataObject.info['selection']['x']): ilabel = dataObject.info['selection']['x'][0] xlabel = dataObject.info['LabelNames'][ilabel] else: xlabel = "Point Number" if len(dataObject.info['selection']['m']): ilabel = dataObject.info['selection']['m'][0] ylabel += "/" + dataObject.info['LabelNames'][ilabel] else: xlabel = dataObject.info.get('xlabel', None) ylabel = dataObject.info.get('ylabel', None) if xlabel is not None: self.setGraphXLabel(xlabel) if ylabel is not None: self.setGraphYLabel(ylabel) self.setGraphTitle(legend) self.setActiveCurve(legend) #self.setGraphTitle(legend) if self.scanWindowInfoWidget is not None: if not self.infoDockWidget.isHidden(): self.scanWindowInfoWidget.updateFromDataObject\ (dataObject) elif ddict['event'] == "removeCurveEvent": legend = ddict['legend'] self.removeCurves([legend]) elif ddict['event'] == "renameCurveEvent": legend = ddict['legend'] newlegend = ddict['newlegend'] if legend in self.dataObjectsDict: self.dataObjectsDict[newlegend]= copy.deepcopy(self.dataObjectsDict[legend]) self.dataObjectsDict[newlegend].info['legend'] = newlegend self.dataObjectsList.append(newlegend) self.removeCurves([legend], replot=False) self.newCurve(self.dataObjectsDict[newlegend].x[0], self.dataObjectsDict[newlegend].y[0], legend=self.dataObjectsDict[newlegend].info['legend']) #make sure the plot signal is forwarded because we have overwritten #its handling self.sigPlotSignal.emit(ddict) def _customFitSignalReceived(self, ddict): if ddict['event'] == "FitFinished": newDataObject = self.__customFitDataObject xplot = ddict['x'] yplot = ddict['yfit'] newDataObject.x = [xplot] newDataObject.y = [yplot] newDataObject.m = [numpy.ones(len(yplot)).astype(numpy.float)] #here I should check the log or linear status self.dataObjectsDict[newDataObject.info['legend']] = newDataObject self.addCurve(xplot, yplot, legend=newDataObject.info['legend']) def _scanFitSignalReceived(self, ddict): if DEBUG: print("_scanFitSignalReceived", ddict) if ddict['event'] == "EstimateFinished": return if ddict['event'] == "FitFinished": newDataObject = self.__fitDataObject xplot = self.scanFit.specfit.xdata * 1.0 yplot = self.scanFit.specfit.gendata(parameters=ddict['data']) newDataObject.x = [xplot] newDataObject.y = [yplot] newDataObject.m = [numpy.ones(len(yplot)).astype(numpy.float)] self.dataObjectsDict[newDataObject.info['legend']] = newDataObject self.addCurve(x=xplot, y=yplot, legend=newDataObject.info['legend']) def _fitIconSignal(self): if DEBUG: print("_fitIconSignal") self.fitButtonMenu.exec_(self.cursor().pos()) def _simpleFitSignal(self): if DEBUG: print("_simpleFitSignal") self._QSimpleOperation("fit") def _customFitSignal(self): if DEBUG: print("_customFitSignal") self._QSimpleOperation("custom_fit") def _saveIconSignal(self): if DEBUG: print("_saveIconSignal") self._QSimpleOperation("save") def _averageIconSignal(self): if DEBUG: print("_averageIconSignal") self._QSimpleOperation("average") def _smoothIconSignal(self): if DEBUG: print("_smoothIconSignal") self._QSimpleOperation("smooth") def _getOutputFileName(self): #get outputfile self.outputDir = PyMcaDirs.outputDir if self.outputDir is None: self.outputDir = os.getcwd() wdir = os.getcwd() elif os.path.exists(self.outputDir): wdir = self.outputDir else: self.outputDir = os.getcwd() wdir = self.outputDir filterlist = ['Specfile MCA *.mca', 'Specfile Scan *.dat', 'Specfile MultiScan *.dat', 'Raw ASCII *.txt', '","-separated CSV *.csv', '";"-separated CSV *.csv', '"tab"-separated CSV *.csv', 'OMNIC CSV *.csv', 'Widget PNG *.png', 'Widget JPG *.jpg', 'Graphics PNG *.png', 'Graphics EPS *.eps', 'Graphics SVG *.svg'] fileList, fileFilter = PyMcaFileDialogs.getFileList(self, filetypelist=filterlist, message="Output File Selection", currentdir=wdir, single=True, mode="SAVE", getfilter=True, currentfilter=self.outputFilter) if not len(fileList): return filterused = fileFilter.split() filetype = filterused[1] extension = filterused[2] outdir = qt.safe_str(fileList[0]) try: self.outputDir = os.path.dirname(outdir) PyMcaDirs.outputDir = os.path.dirname(outdir) except: print("setting output directory to default") self.outputDir = os.getcwd() try: outputFile = os.path.basename(outdir) except: outputFile = outdir if len(outputFile) < 5: outputFile = outputFile + extension[-4:] elif outputFile[-4:] != extension[-4:]: outputFile = outputFile + extension[-4:] return os.path.join(self.outputDir, outputFile), filetype, filterused def _QSimpleOperation(self, operation): try: self._simpleOperation(operation) except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setInformativeText(str(sys.exc_info()[1])) msg.setDetailedText(traceback.format_exc()) msg.exec_() def _saveOperation(self, fileName, fileType, fileFilter): filterused = fileFilter filetype = fileType filename = fileName if os.path.exists(filename): os.remove(filename) if filterused[0].upper() == "WIDGET": fformat = filename[-3:].upper() pixmap = qt.QPixmap.grabWidget(self) if not pixmap.save(filename, fformat): qt.QMessageBox.critical(self, "Save Error", "%s" % sys.exc_info()[1]) return try: if filename[-3:].upper() in ['EPS', 'PNG', 'SVG']: self.graphicsSave(filename) return except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Graphics Saving Error: %s" % (sys.exc_info()[1])) msg.exec_() return systemline = os.linesep os.linesep = '\n' try: if sys.version < "3.0": ffile=open(filename, "wb") else: ffile=open(filename, "w", newline='') except IOError: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Input Output Error: %s" % (sys.exc_info()[1])) msg.exec_() return x, y, legend, info = self.getActiveCurve() xlabel = info.get("xlabel", "X") ylabel = info.get("ylabel", "Y") if 0: if "selection" in info: if type(info['selection']) == type({}): if 'x' in info['selection']: #proper scan selection ilabel = info['selection']['y'][0] ylegend = info['LabelNames'][ilabel] ylabel = ylegend if info['selection']['x'] is not None: if len(info['selection']['x']): xlabel = info['LabelNames'] [info['selection']['x'][0]] else: xlabel = "Point number" try: if filetype in ['Scan', 'MultiScan']: ffile.write("#F %s\n" % filename) savingDate = "#D %s\n"%(time.ctime(time.time())) ffile.write(savingDate) ffile.write("\n") ffile.write("#S 1 %s\n" % legend) ffile.write(savingDate) ffile.write("#N 2\n") ffile.write("#L %s %s\n" % (xlabel, ylabel) ) for i in range(len(y)): ffile.write("%.7g %.7g\n" % (x[i], y[i])) ffile.write("\n") if filetype == 'MultiScan': scan_n = 1 curveList = self.getAllCurves() for x, y, key, info in curveList: if key == legend: continue xlabel = info.get("xlabel", "X") ylabel = info.get("ylabel", "Y") if 0: if "selection" in info: if type(info['selection']) == type({}): if 'x' in info['selection']: #proper scan selection ilabel = info['selection']['y'][0] ylegend = info['LabelNames'][ilabel] ylabel = ylegend if info['selection']['x'] is not None: if len(info['selection']['x']): xlabel = info['LabelNames'] [info['selection']['x'][0]] else: xlabel = "Point number" scan_n += 1 ffile.write("#S %d %s\n" % (scan_n, key)) ffile.write(savingDate) ffile.write("#N 2\n") ffile.write("#L %s %s\n" % (xlabel, ylabel) ) for i in range(len(y)): ffile.write("%.7g %.7g\n" % (x[i], y[i])) ffile.write("\n") elif filetype == 'ASCII': for i in range(len(y)): ffile.write("%.7g %.7g\n" % (x[i], y[i])) elif filetype == 'CSV': if "," in filterused[0]: csvseparator = "," elif ";" in filterused[0]: csvseparator = ";" elif "OMNIC" in filterused[0]: csvseparator = "," else: csvseparator = "\t" if "OMNIC" not in filterused[0]: ffile.write('"%s"%s"%s"\n' % (xlabel,csvseparator,ylabel)) for i in range(len(y)): ffile.write("%.7E%s%.7E\n" % (x[i], csvseparator,y[i])) else: ffile.write("#F %s\n" % filename) ffile.write("#D %s\n"%(time.ctime(time.time()))) ffile.write("\n") ffile.write("#S 1 %s\n" % legend) ffile.write("#D %s\n"%(time.ctime(time.time()))) ffile.write("#@MCA %16C\n") ffile.write("#@CHANN %d %d %d 1\n" % (len(y), x[0], x[-1])) ffile.write("#@CALIB %.7g %.7g %.7g\n" % (0, 1, 0)) ffile.write(self.array2SpecMca(y)) ffile.write("\n") ffile.close() os.linesep = systemline except: os.linesep = systemline raise return def _simpleOperation(self, operation): if operation == 'subtract': self._subtractOperation() return if operation == "save": #getOutputFileName filename = self._getOutputFileName() if filename is None: return self._saveOperation(filename[0], filename[1], filename[2]) return if operation != "average": #get active curve legend = self.getActiveCurveLegend() if legend is None:return found = False for key in self.dataObjectsList: if key == legend: found = True break if found: dataObject = self.dataObjectsDict[legend] else: print("I should not be here") print("active curve =",legend) print("but legend list = ",self.dataObjectsList) return y = dataObject.y[0] if dataObject.x is not None: x = dataObject.x[0] else: x = numpy.arange(len(y)).astype(numpy.float) ilabel = dataObject.info['selection']['y'][0] ylabel = dataObject.info['LabelNames'][ilabel] if len(dataObject.info['selection']['x']): ilabel = dataObject.info['selection']['x'][0] xlabel = dataObject.info['LabelNames'][ilabel] else: xlabel = "Point Number" else: x = [] y = [] legend = "" i = 0 ndata = 0 for key in self._curveList: if DEBUG: print("key -> ", key) if key in self.dataObjectsDict: x.append(self.dataObjectsDict[key].x[0]) #only the first X if len(self.dataObjectsDict[key].y) == 1: y.append(self.dataObjectsDict[key].y[0]) else: sel_legend = self.dataObjectsDict[key].info['legend'] ilabel = 0 #I have to get the proper y associated to the legend if sel_legend in key: if key.index(sel_legend) == 0: label = key[len(sel_legend):] while (label.startswith(' ')): label = label[1:] if not len(label): break if label in self.dataObjectsDict[key].info['LabelNames']: ilabel = self.dataObjectsDict[key].info['LabelNames'].index(label) if DEBUG: print("LABEL = ", label) print("ilabel = ", ilabel) y.append(self.dataObjectsDict[key].y[ilabel]) if i == 0: legend = key firstcurve = key i += 1 else: legend += " + " + key lastcurve = key ndata += 1 if ndata == 0: return #nothing to average dataObject = self.dataObjectsDict[firstcurve] #create the output data object newDataObject = DataObject.DataObject() newDataObject.data = None newDataObject.info = copy.deepcopy(dataObject.info) if 'selectionlegend' in newDataObject.info: del newDataObject.info['selectionlegend'] if not ('operations' in newDataObject.info): newDataObject.info['operations'] = [] newDataObject.info['operations'].append(operation) sel = {} sel['SourceType'] = "Operation" #get new x and new y if operation == "derivate": #xmin and xmax xlimits=self.getGraphXLimits() xplot, yplot = self.simpleMath.derivate(x, y, xlimits=xlimits) ilabel = dataObject.info['selection']['y'][0] ylabel = dataObject.info['LabelNames'][ilabel] newDataObject.info['LabelNames'][ilabel] = ylabel+"'" newDataObject.info['plot_yaxis'] = "right" sel['SourceName'] = legend sel['Key'] = "'" sel['legend'] = legend + sel['Key'] outputlegend = legend + sel['Key'] elif operation == "average": xplot, yplot = self.simpleMath.average(x, y) if len(legend) < 80: sel['SourceName'] = legend sel['Key'] = "" sel['legend'] = "(%s)/%d" % (legend, ndata) outputlegend = "(%s)/%d" % (legend, ndata) else: sel['SourceName'] = legend legend = "Average of %d from %s to %s" % (ndata, firstcurve, lastcurve) sel['Key'] = "" sel['legend'] = legend outputlegend = legend elif operation == "swapsign": xplot = x * 1 yplot = -y sel['SourceName'] = legend sel['Key'] = "" sel['legend'] = "-(%s)" % legend outputlegend = "-(%s)" % legend elif operation == "smooth": xplot = x * 1 yplot = self.simpleMath.smooth(y) sel['SourceName'] = legend sel['Key'] = "" sel['legend'] = "%s Smooth" % legend outputlegend = "%s Smooth" % legend if 'operations' in dataObject.info: if len(dataObject.info['operations']): if dataObject.info['operations'][-1] == "smooth": sel['legend'] = legend outputlegend = legend elif operation == "forceymintozero": xplot = x * 1 yplot = y - min(y) sel['SourceName'] = legend sel['Key'] = "" sel['legend'] = "(%s) - ymin" % legend outputlegend = "(%s) - ymin" % legend elif operation == "fit": #remove a existing fit if present xmin,xmax=self.getGraphXLimits() outputlegend = legend + " Fit" for key in self._curveList: if key == outputlegend: self.removeCurves([outputlegend], replot=False) break self.scanFit.setData(x = x, y = y, xmin = xmin, xmax = xmax, legend = legend) if self.scanFit.isHidden(): self.scanFit.show() self.scanFit.raise_() elif operation == "custom_fit": #remove a existing fit if present xmin, xmax=self.getGraphXLimits() outputlegend = legend + "Custom Fit" keyList = list(self._curveList) for key in keyList: if key == outputlegend: self.removeCurves([outputlegend], replot=False) break self.customFit.setData(x = x, y = y, xmin = xmin, xmax = xmax, legend = legend) if self.customFit.isHidden(): self.customFit.show() self.customFit.raise_() else: raise ValueError("Unknown operation %s" % operation) if operation not in ["fit", "custom_fit"]: newDataObject.x = [xplot] newDataObject.y = [yplot] newDataObject.m = [numpy.ones(len(yplot)).astype(numpy.float)] #and add it to the plot if True and (operation not in ['fit', 'custom_fit']): sel['dataobject'] = newDataObject sel['scanselection'] = True sel['selection'] = copy.deepcopy(dataObject.info['selection']) sel['selectiontype'] = "1D" if operation == 'average': self._replaceSelection([sel]) elif operation != 'fit': self._addSelection([sel]) else: self.__fitDataObject = newDataObject return else: newDataObject.info['legend'] = outputlegend if operation == 'fit': self.__fitDataObject = newDataObject return if operation == 'custom_fit': self.__customFitDataObject = newDataObject return self.dataObjectsDict[newDataObject.info['legend']] = newDataObject #here I should check the log or linear status self.addCurve(x=xplot, y=yplot, legend=newDataObject.info['legend'], replot=False) self.replot() def graphicsSave(self, filename): #use the plugin interface x, y, legend, info = self.getActiveCurve()[:4] curveList = self.getAllCurves() size = (6, 3) #in inches bw = False if len(curveList) > 1: legends = True else: legends = False if self.matplotlibDialog is None: self.matplotlibDialog = QPyMcaMatplotlibSave1D.\ QPyMcaMatplotlibSaveDialog(size=size, logx=self._logX, logy=self._logY, legends=legends, bw = bw) mtplt = self.matplotlibDialog.plot mtplt.setParameters({'logy':self._logY, 'logx':self._logX, 'legends':legends, 'bw':bw}) xmin, xmax = self.getGraphXLimits() ymin, ymax = self.getGraphYLimits() mtplt.setLimits(xmin, xmax, ymin, ymax) legend0 = legend xdata = x ydata = y dataCounter = 1 alias = "%c" % (96+dataCounter) mtplt.addDataToPlot( xdata, ydata, legend=legend0, alias=alias ) for curve in curveList: xdata, ydata, legend, info = curve[0:4] if legend == legend0: continue dataCounter += 1 alias = "%c" % (96+dataCounter) mtplt.addDataToPlot( xdata, ydata, legend=legend, alias=alias ) if sys.version < '3.0': self.matplotlibDialog.setXLabel(qt.safe_str(self.getGraphXLabel())) self.matplotlibDialog.setYLabel(qt.safe_str(self.getGraphYLabel())) else: self.matplotlibDialog.setXLabel(self.getGraphXLabel()) self.matplotlibDialog.setYLabel(self.getGraphYLabel()) if legends: mtplt.plotLegends() ret = self.matplotlibDialog.exec_() if ret == qt.QDialog.Accepted: mtplt.saveFile(filename) return def getActiveCurveLegend(self): return super(ScanWindow,self).getActiveCurve(just_legend=True) def _deriveIconSignal(self): if DEBUG: print("_deriveIconSignal") self._QSimpleOperation('derivate') def _swapSignIconSignal(self): if DEBUG: print("_swapSignIconSignal") self._QSimpleOperation('swapsign') def _yMinToZeroIconSignal(self): if DEBUG: print("_yMinToZeroIconSignal") self._QSimpleOperation('forceymintozero') def _subtractIconSignal(self): if DEBUG: print("_subtractIconSignal") self._QSimpleOperation('subtract') def _subtractOperation(self): #identical to twice the average with the negative active curve #get active curve legend = self.getActiveCurveLegend() if legend is None: return found = False for key in self.dataObjectsList: if key == legend: found = True break if found: dataObject = self.dataObjectsDict[legend] else: print("I should not be here") print("active curve =",legend) print("but legend list = ",self.dataObjectsList) return x = dataObject.x[0] y = dataObject.y[0] ilabel = dataObject.info['selection']['y'][0] ylabel = dataObject.info['LabelNames'][ilabel] if len(dataObject.info['selection']['x']): ilabel = dataObject.info['selection']['x'][0] xlabel = dataObject.info['LabelNames'][ilabel] else: xlabel = "Point Number" xActive = x yActive = y yActiveLegend = legend yActiveLabel = ylabel xActiveLabel = xlabel operation = "subtract" sel_list = [] i = 0 ndata = 0 keyList = list(self._curveList) for key in keyList: legend = "" x = [xActive] y = [-yActive] if DEBUG: print("key -> ", key) if key in self.dataObjectsDict: x.append(self.dataObjectsDict[key].x[0]) #only the first X if len(self.dataObjectsDict[key].y) == 1: y.append(self.dataObjectsDict[key].y[0]) ilabel = self.dataObjectsDict[key].info['selection']['y'][0] else: sel_legend = self.dataObjectsDict[key].info['legend'] ilabel = self.dataObjectsDict[key].info['selection']['y'][0] #I have to get the proper y associated to the legend if sel_legend in key: if key.index(sel_legend) == 0: label = key[len(sel_legend):] while (label.startswith(' ')): label = label[1:] if not len(label): break if label in self.dataObjectsDict[key].info['LabelNames']: ilabel = self.dataObjectsDict[key].info['LabelNames'].index(label) if DEBUG: print("LABEL = ", label) print("ilabel = ", ilabel) y.append(self.dataObjectsDict[key].y[ilabel]) outputlegend = "(%s - %s)" % (key, yActiveLegend) ndata += 1 xplot, yplot = self.simpleMath.average(x, y) yplot *= 2 #create the output data object newDataObject = DataObject.DataObject() newDataObject.data = None newDataObject.info.update(self.dataObjectsDict[key].info) if not ('operations' in newDataObject.info): newDataObject.info['operations'] = [] newDataObject.info['operations'].append(operation) newDataObject.info['LabelNames'][ilabel] = "(%s - %s)" % \ (newDataObject.info['LabelNames'][ilabel], yActiveLabel) newDataObject.x = [xplot] newDataObject.y = [yplot] newDataObject.m = None sel = {} sel['SourceType'] = "Operation" sel['SourceName'] = key sel['Key'] = "" sel['legend'] = outputlegend sel['dataobject'] = newDataObject sel['scanselection'] = True sel['selection'] = copy.deepcopy(dataObject.info['selection']) #sel['selection']['y'] = [ilabel] sel['selectiontype'] = "1D" sel_list.append(sel) if True: #The legend menu was not working with the next line #but if works if I add the list self._replaceSelection(sel_list) else: oldlist = list(self.dataObjectsDict) self._addSelection(sel_list) self.removeCurves(oldlist) #The plugins interface def getGraphYLimits(self): #if the active curve is mapped to second axis #I should give the second axis limits return super(ScanWindow, self).getGraphYLimits() #end of plugins interface def addCurve(self, x, y, legend=None, info=None, replace=False, replot=True, color=None, symbol=None, linestyle=None, xlabel=None, ylabel=None, yaxis=None, xerror=None, yerror=None, **kw): if legend in self._curveList: if info is None: info = {} oldStuff = self.getCurve(legend) if len(oldStuff): oldX, oldY, oldLegend, oldInfo = oldStuff else: oldInfo = {} if color is None: color = info.get("plot_color", oldInfo.get("plot_color", None)) if symbol is None: symbol = info.get("plot_symbol",oldInfo.get("plot_symbol", None)) if linestyle is None: linestyle = info.get("plot_linestyle",oldInfo.get("plot_linestyle", None)) if yaxis is None: yaxis = info.get("plot_yaxis",oldInfo.get("plot_yaxis", None)) else: if info is None: info = {} if color is None: color = info.get("plot_color", None) if symbol is None: symbol = info.get("plot_symbol", None) if linestyle is None: linestyle = info.get("plot_linestyle", None) if yaxis is None: yaxis = info.get("plot_yaxis", None) if legend in self.dataObjectsDict: # the info is changing super(ScanWindow, self).addCurve(x, y, legend=legend, info=info, replace=replace, replot=replot, color=color, symbol=symbol, linestyle=linestyle, xlabel=xlabel, ylabel=ylabel, yaxis=yaxis, xerror=xerror, yerror=yerror, **kw) else: # create the data object self.newCurve(x, y, legend=legend, info=info, replace=replace, replot=replot, color=color, symbol=symbol, linestyle=linestyle, xlabel=xlabel, ylabel=ylabel, yaxis=yaxis, xerror=xerror, yerror=yerror, **kw) def newCurve(self, x, y, legend=None, info=None, replace=False, replot=True, color=None, symbol=None, linestyle=None, xlabel=None, ylabel=None, yaxis=None, xerror=None, yerror=None, **kw): if legend is None: legend = "Unnamed curve 1.1" if xlabel is None: xlabel = "X" if ylabel is None: ylabel = "Y" if info is None: info = {} # this is awfull but I have no other way to pass the plot information ... if color is not None: info["plot_color"] = color if symbol is not None: info["plot_symbol"] = symbol if linestyle is not None: info["plot_linestyle"] = linestyle if yaxis is not None: info["plot_yaxis"] = yaxis newDataObject = DataObject.DataObject() newDataObject.x = [x] newDataObject.y = [y] newDataObject.m = None newDataObject.info = copy.deepcopy(info) newDataObject.info['legend'] = legend newDataObject.info['SourceName'] = legend newDataObject.info['Key'] = "" newDataObject.info['selectiontype'] = "1D" newDataObject.info['LabelNames'] = [xlabel, ylabel] newDataObject.info['selection'] = {'x':[0], 'y':[1]} sel_list = [] sel = {} sel['SourceType'] = "Operation" sel['SourceName'] = legend sel['Key'] = "" sel['legend'] = legend sel['dataobject'] = newDataObject sel['scanselection'] = True sel['selection'] = {'x':[0], 'y':[1], 'm':[], 'cntlist':[xlabel, ylabel]} #sel['selection']['y'] = [ilabel] sel['selectiontype'] = "1D" sel_list.append(sel) if replace: self._replaceSelection(sel_list) else: self._addSelection(sel_list, replot=replot) def printGraph(self): if self.printPreview.printer is None: # setup needed self.printPreview.setup() self._printer = self.printPreview.printer if self._printer is None: # printer was not selected return #self._printer = None if PlotWindow.PlotWidget.SVG: svg = True self._svgRenderer = self.getSvgRenderer() else: svg = False if hasattr(self, "getWidgetHandle"): widget = self.getWidgetHandle() else: widget = self.centralWidget() if hasattr(widget, "grab"): pixmap = widget.grab() else: pixmap = qt.QPixmap.grabWidget(widget) title = None comment = None if self.scanWindowInfoWidget is not None: if not self.infoDockWidget.isHidden(): info = self.scanWindowInfoWidget.getInfo() title = info['scan'].get('source', None) comment = info['scan'].get('scan', None)+"\n" h, k, l = info['scan'].get('hkl') if h != "----": comment += "H = %s K = %s L = %s\n" % (h, k, l) peak = info['graph']['peak'] peakAt = info['graph']['peakat'] fwhm = info['graph']['fwhm'] fwhmAt = info['graph']['fwhmat'] com = info['graph']['com'] mean = info['graph']['mean'] std = info['graph']['std'] minimum = info['graph']['min'] maximum = info['graph']['max'] delta = info['graph']['delta'] xLabel = self.getGraphXLabel() comment += "Peak %s at %s = %s\n" % (peak, xLabel, peakAt) comment += "FWHM %s at %s = %s\n" % (fwhm, xLabel, fwhmAt) comment += "COM = %s Mean = %s STD = %s\n" % (com, mean, std) comment += "Min = %s Max = %s Delta = %s\n" % (minimum, maximum, delta) if hasattr(self, "scanFit"): if not self.scanFit.isHidden(): if comment is None: comment = "" comment += "\n" comment += self.scanFit.getText() if svg: self.printPreview.addSvgItem(self._svgRenderer, title=None, comment=comment, commentPosition="LEFT") else: self.printPreview.addPixmap(pixmap, title=None, comment=comment, commentPosition="LEFT") if self.printPreview.isHidden(): self.printPreview.show() self.printPreview.raise_() def getSvgRenderer(self, printer=None): if printer is None: if self.printPreview.printer is None: # setup needed self.printPreview.setup() self._printer = self.printPreview.printer printer = self._printer if printer is None: # printer was not selected # return a renderer without adjusting the viewbox if sys.version < '3.0': import cStringIO as StringIO imgData = StringIO.StringIO() else: from io import StringIO imgData = StringIO() self.saveGraph(imgData, fileFormat='svg') imgData.flush() imgData.seek(0) svgData = imgData.read() imgData = None svgRenderer = qt.QSvgRenderer() svgRenderer._svgRawData = svgData svgRenderer._svgRendererData = qt.QXmlStreamReader(svgData) if not svgRenderer.load(svgRenderer._svgRendererData): raise RuntimeError("Cannot interpret svg data") return svgRenderer # we have what is to be printed if sys.version < '3.0': import cStringIO as StringIO imgData = StringIO.StringIO() else: from io import StringIO imgData = StringIO() self.saveGraph(imgData, fileFormat='svg') imgData.flush() imgData.seek(0) svgData = imgData.read() imgData = None svgRenderer = qt.QSvgRenderer() #svgRenderer = PlotWindow.PlotWindow.getSvgRenderer(self) # we have to specify the bounding box config = self.getPrintConfiguration() width = config['width'] height = config['height'] xOffset = config['xOffset'] yOffset = config['yOffset'] units = config['units'] keepAspectRatio = config['keepAspectRatio'] dpix = printer.logicalDpiX() dpiy = printer.logicalDpiY() # get the available space availableWidth = printer.width() availableHeight = printer.height() # convert the offsets to dpi if units.lower() in ['inch', 'inches']: xOffset = xOffset * dpix yOffset = yOffset * dpiy if width is not None: width = width * dpix if height is not None: height = height * dpiy elif units.lower() in ['cm', 'centimeters']: xOffset = (xOffset/2.54) * dpix yOffset = (yOffset/2.54) * dpiy if width is not None: width = (width/2.54) * dpix if height is not None: height = (height/2.54) * dpiy else: # page units xOffset = availableWidth * xOffset yOffset = availableHeight * yOffset if width is not None: width = availableWidth * width if height is not None: height = availableHeight * height availableWidth -= xOffset availableHeight -= yOffset if width is not None: if (availableWidth + 0.1) < width: txt = "Available width %f is less than requested width %f" % \ (availableWidth, width) raise ValueError(txt) availableWidth = width if height is not None: if (availableHeight + 0.1) < height: txt = "Available height %f is less than requested height %f" % \ (availableHeight, height) raise ValueError(txt) availableHeight = height if keepAspectRatio: #get the aspect ratio widget = self.getWidgetHandle() if widget is None: # does this make sense? graphWidth = availableWidth graphHeight = availableHeight else: graphWidth = float(widget.width()) graphHeight = float(widget.height()) graphRatio = graphHeight / graphWidth # that ratio has to be respected bodyWidth = availableWidth bodyHeight = availableWidth * graphRatio if bodyHeight > availableHeight: bodyHeight = availableHeight bodyWidth = bodyHeight / graphRatio else: bodyWidth = availableWidth bodyHeight = availableHeight body = qt.QRectF(xOffset, yOffset, bodyWidth, bodyHeight) # this does not work if I set the svgData before svgRenderer.setViewBox(body) svgRenderer._viewBox = body if not sys.version.startswith("2"): svgData = svgData.encode(encoding="utf-8", errors="replace") svgRenderer._svgRawData = svgData svgRenderer._svgRendererData = qt.QXmlStreamReader(svgData) if not svgRenderer.load(svgRenderer._svgRendererData): raise RuntimeError("Cannot interpret svg data") return svgRenderer def test(): w = ScanWindow() x = numpy.arange(1000.) y = 10 * x + 10000. * numpy.exp(-0.5*(x-500)*(x-500)/400) w.addCurve(x, y, legend="dummy", replot=True, replace=True) w.resetZoom() app.lastWindowClosed.connect(app.quit) w.show() app.exec_() if __name__ == "__main__": test() PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/ScanFit.py0000644000276300001750000003343713136054446020531 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaGui.math.fitting import SpecfitGui from PyMca5.PyMcaMath.fitting import Specfit QTVERSION = qt.qVersion() class ScanFit(qt.QWidget): sigScanFitSignal = qt.pyqtSignal(object) def __init__(self, parent=None, name="ScanFit", specfit=None, fl=0): #fl=qt.Qt.WDestructiveClose): qt.QWidget.__init__(self, parent) self.setWindowTitle(name) if specfit is None: self.specfit = Specfit.Specfit() else: self.specfit = specfit self.info = None layout = qt.QVBoxLayout(self) layout.setContentsMargins(0, 0, 0, 0) layout.setSpacing(0) ############## self.headerlabel = qt.QLabel(self) self.headerlabel.setAlignment(qt.Qt.AlignHCenter) self.setHeader('Fit of XXXXXXXXXX from X XXXXX to XXXX<\b>') ############## if not len(self.specfit.theorylist): funsFile = "SpecfitFunctions.py" if not os.path.exists(funsFile): funsFile = os.path.join(os.path.dirname(Specfit.__file__), funsFile) self.specfit.importfun(funsFile) if 'Area Gaussians' not in self.specfit.theorylist: funsFile = "SpecfitFunctions.py" if not os.path.exists(funsFile): funsFile = os.path.join(os.path.dirname(Specfit.__file__), funsFile) self.specfit.importfun(funsFile) self.specfit.settheory('Area Gaussians') self.specfit.setbackground('Linear') fitconfig = {} fitconfig.update(self.specfit.fitconfig) fitconfig['WeightFlag'] = 0 fitconfig['ForcePeakPresence'] = 1 fitconfig['McaMode'] = 0 self.specfit.configure(**fitconfig) self.specfitGui = SpecfitGui.SpecfitGui(self, config=1, status=1, buttons=0, specfit=self.specfit, eh=self.specfit.eh) #self.specfitGui.updateGui(configuration=fitconfig) #self.setdata = self.specfit.setdata self.specfitGui.guiconfig.MCACheckBox.setEnabled(1) palette = self.specfitGui.guiconfig.MCACheckBox.palette() ############## hbox = qt.QWidget(self) hboxlayout = qt.QHBoxLayout(hbox) hboxlayout.setContentsMargins(0, 0, 0, 0) hboxlayout.setSpacing(0) self.estimatebutton = qt.QPushButton(hbox) self.estimatebutton.setText("Estimate") self.fitbutton = qt.QPushButton(hbox) self.fitbutton.setText("Fit") hboxlayout.addWidget(self.estimatebutton) hboxlayout.addWidget(qt.HorizontalSpacer(hbox)) hboxlayout.addWidget(self.fitbutton) self.dismissbutton = qt.QPushButton(hbox) self.dismissbutton.setText("Dismiss") self.estimatebutton.clicked.connect(self.estimate) self.fitbutton.clicked.connect(self.fit) self.dismissbutton.clicked.connect(self.dismiss) self.specfitGui.sigSpecfitGuiSignal.connect(self._specfitGuiSignal) hboxlayout.addWidget(qt.HorizontalSpacer(hbox)) hboxlayout.addWidget(self.dismissbutton) layout.addWidget(self.headerlabel) layout.addWidget(self.specfitGui) layout.addWidget(hbox) def setData(self, *var, **kw): self.info = {} if 'legend' in kw: self.info['legend'] = kw['legend'] del kw['legend'] else: self.info['legend'] = 'Unknown Origin' if 'xlabel' in kw: self.info['xlabel'] = kw['xlabel'] del kw['xlabel'] else: self.info['xlabel'] = 'X' self.specfit.setdata(var, **kw) try: self.info['xmin'] = "%.3f" % self.specfit.xdata[0] except: self.info['xmin'] = 'First' try: self.info['xmax'] = "%.3f" % self.specfit.xdata[-1] except: self.info['xmax'] = 'Last' self.setHeader(text="Fit of %s from %s %s to %s" % (self.info['legend'], self.info['xlabel'], self.info['xmin'], self.info['xmax'])) def setheader(self, *var, **kw): return self.setHeader(*var, **kw) def setHeader(self, *var, **kw): if len(var): text = var[0] elif 'text' in kw: text = kw['text'] elif 'header' in kw: text = kw['header'] else: text = "" self.headerlabel.setText("%s<\b>" % text) def fit(self): if self.specfit.fitconfig['McaMode']: fitconfig = {} fitconfig.update(self.specfit.fitconfig) self.specfitGui.updateGui(configuration=fitconfig) #the Gui already takes care of mcafit self.specfitGui.estimate() else: #exception handler to be implemented #self.specfitGui.estimate() self.specfitGui.startfit() def estimate(self): fitconfig = {} fitconfig.update(self.specfit.fitconfig) self.specfitGui.updateGui(configuration=fitconfig) self.specfitGui.estimate() def _specfitGuiSignal(self, ddict): if not hasattr(ddict, "keys"): return if 'event' in ddict: if ddict['event'].upper() == "PRINT": h = self.__htmlheader() if __name__ == "__main__": self.__print(h + ddict['text']) else: ndict = {} ndict['event'] = "ScanFitPrint" ndict['text' ] = h + ddict['text'] ndict['info' ] = {} ndict['info'].update(self.info) self.sigScanFitSignal.emit(ndict) else: if self.info is None: self.info = {} ddict['info'] = {} ddict['info'].update(self.info) self.sigScanFitSignal.emit(ddict) def dismiss(self): self.close() def __htmlheader(self): try: header = "Fit of %s from %s %s to %s" % (self.info['legend'], self.info['xlabel'], self.info['xmin'], self.info['xmax']) except: # I cannot afford any unicode, key or whatever error, so, # provide a default value for the label. header = 'Fit of XXXXXXXXXX from Channel XXXXX to XXXX' if self.specfit.fitconfig['WeightFlag']: weight = "YES" else: weight = "NO" if self.specfit.fitconfig['McaMode']: mode = "YES" else: mode = "NO" theory = self.specfit.fitconfig['fittheory'] bkg = self.specfit.fitconfig['fitbkg'] fwhm = self.specfit.fitconfig['FwhmPoints'] scaling = self.specfit.fitconfig['Yscaling'] h = "" h += "
" h += "%s" % header h += "

" h += "" h += "" h += " " h += " " h += " " % theory h += " " h += " " h += " " h += " " % weight h += " " h += " " h += " " h += " " % fwhm h += "" h += "" h += " " h += " " % bkg h += " " h += " " h += " " h += " " % mode h += " " h += " " h += " " h += " " % scaling h += "" h += "
Function:%sWeight:%sFWHM:%d
Background" h += " :%sMCA Mode:%sScaling:%g
" h += "
" return h def __print(self, text): printer = qt.QPrinter() if printer.setup(self): painter = qt.QPainter() if not(painter.begin(printer)): return 0 try: metrics = qt.QPaintDeviceMetrics(printer) dpiy = metrics.logicalDpiY() margin = int((2 / 2.54) * dpiy) # 2cm margin body = qt.QRect(0.5 * margin, margin, metrics.width() - margin, metrics.height() - 2 * margin) richtext = qt.QSimpleRichText(text, qt.QFont(), qt.QString(""), #0, qt.QStyleSheet.defaultSheet(), qt.QMimeSourceFactory.defaultFactory(), body.height()) view = qt.QRect(body) richtext.setWidth(painter,view.width()) page = 1 while(1): richtext.draw(painter,body.left(),body.top(), view,qt.QColorGroup()) view.moveBy(0, body.height()) painter.translate(0, -body.height()) painter.drawText(view.right() - painter.fontMetrics().width(qt.QString.number(page)), view.bottom() - painter.fontMetrics().ascent() + 5,qt.QString.number(page)) if view.top() >= richtext.height(): break printer.newPage() page += 1 painter.end() except: painter.end() msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("%s" % sys.exc_info()[1]) msg.exec_loop() def getText(self): try: header = "Fit of %s from %s %s to %s" % (self.info['legend'], self.info['xlabel'], self.info['xmin'], self.info['xmax']) except: # I cannot afford any unicode, key or whatever error, so, # provide a default value for the header text. header = 'Fit of XXXXXXXXXX from Channel XXXXX to XXXX' text = header + "\n" if self.specfit.fitconfig['WeightFlag']: weight = "YES" else: weight = "NO" if self.specfit.fitconfig['McaMode']: mode = "YES" else: mode = "NO" theory = self.specfit.fitconfig['fittheory'] bkg = self.specfit.fitconfig['fitbkg'] fwhm = self.specfit.fitconfig['FwhmPoints'] scaling = self.specfit.fitconfig['Yscaling'] text += "Fit Function: %s\n" % theory text += "Background: %s\n" % bkg text += "Weight: %s McaMode: %s FWHM: %d Yscaling: %f\n" % (weight[0], mode[0], fwhm, scaling) text += self.specfitGui.guiparameters.getText() return text def getConfiguration(self): return self.specfit.configure() def setConfiguration(self, fitconfig): self.specfit.configure(**fitconfig) self.specfitGui.updateGui(configuration=fitconfig) def main(): app = qt.QApplication([]) w = ScanFit() app.lastWindowClosed.connect(app.quit) w.show() app.exec_() if __name__ == "__main__": main() PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/Mca2Edf.py0000644000276300001750000005764313136054446020410 0ustar solebliss00000000000000#!/usr/bin/env python #/*########################################################################## # Copyright (C) 2004-2016 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os import numpy import time from PyMca5.PyMcaGui import PyMcaQt as qt QTVERSION = qt.qVersion() if QTVERSION >= '4.0.0': qt.Qt.WDestructiveClose = "TO BE DONE" from PyMca5.PyMcaGui import IconDict from PyMca5.PyMcaGui.pymca import McaCustomEvent from PyMca5.PyMcaIO import EdfFile from PyMca5.PyMcaCore import SpecFileLayer from PyMca5 import PyMcaDirs class Mca2EdfGUI(qt.QWidget): def __init__(self,parent=None,name="Mca to Edf Conversion",fl=qt.Qt.WDestructiveClose, filelist=None,outputdir=None, actions=0): if qt.qVersion() < '4.0.0': qt.QWidget.__init__(self,parent,name,fl) self.setIcon(qt.QPixmap(IconDict['gioconda16'])) self.setCaption(name) else: qt.QWidget.__init__(self, parent) self.setWindowTitle(name) self.setWindowIcon(qt.QIcon(qt.QPixmap(IconDict['gioconda16']))) self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(0) #layout.setAutoAdd(1) self.__build(actions) if filelist is None: filelist = [] self.outputDir = None self.inputDir = None self.setFileList(filelist) self.setOutputDir(outputdir) def __build(self,actions): self.__grid= qt.QWidget(self) #self.__grid.setGeometry(qt.QRect(30,30,288,156)) if QTVERSION < '4.0.0': grid = qt.QGridLayout(self.__grid,3,3,11,6) grid.setColStretch(0,0) grid.setColStretch(1,1) grid.setColStretch(2,0) else: grid = qt.QGridLayout(self.__grid) grid.setContentsMargins(11, 11, 11, 11) grid.setSpacing(6) #input list listrow = 0 listlabel = qt.QLabel(self.__grid) listlabel.setText("Input File list:") if QTVERSION < '4.0.0': listlabel.setAlignment(qt.QLabel.WordBreak | qt.QLabel.AlignVCenter) self.__listView = qt.QTextView(self.__grid) else: self.__listView = qt.QTextEdit(self.__grid) self.__listView.setMaximumHeight(30*listlabel.sizeHint().height()) self.__listButton = qt.QPushButton(self.__grid) self.__listButton.setText('Browse') self.__listButton.clicked.connect(self.browseList) grid.addWidget(listlabel, listrow, 0, qt.Qt.AlignTop|qt.Qt.AlignLeft) grid.addWidget(self.__listView, listrow, 1) grid.addWidget(self.__listButton,listrow, 2, qt.Qt.AlignTop|qt.Qt.AlignRight) #output dir outrow = 1 outlabel = qt.QLabel(self.__grid) outlabel.setText("Output dir:") if QTVERSION < '4.0.0': outlabel.setAlignment(qt.QLabel.WordBreak | qt.QLabel.AlignVCenter) self.__outLine = qt.QLineEdit(self.__grid) self.__outLine.setReadOnly(True) #self.__outLine.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Maximum, qt.QSizePolicy.Fixed)) self.__outButton = qt.QPushButton(self.__grid) self.__outButton.setText('Browse') self.__outButton.clicked.connect(self.browseOutputDir) grid.addWidget(outlabel, outrow, 0, qt.Qt.AlignLeft) grid.addWidget(self.__outLine, outrow, 1) grid.addWidget(self.__outButton, outrow, 2, qt.Qt.AlignLeft) #step filesteprow =2 filesteplabel = qt.QLabel(self.__grid) filesteplabel.setText("New EDF file each") filesteplabel2 = qt.QLabel(self.__grid) self.__fileSpin = qt.QSpinBox(self.__grid) if QTVERSION < '4.0.0': self.__fileSpin.setMinValue(1) self.__fileSpin.setMaxValue(999999) else: self.__fileSpin.setMinimum(1) self.__fileSpin.setMaximum(999999) self.__fileSpin.setValue(1) filesteplabel2.setText("mca") grid.addWidget(filesteplabel, filesteprow, 0, qt.Qt.AlignLeft) grid.addWidget(self.__fileSpin,filesteprow, 1) grid.addWidget(filesteplabel2, filesteprow, 2, qt.Qt.AlignLeft) self.mainLayout.addWidget(self.__grid) if actions: self.__buildActions() def __buildActions(self): box = qt.QWidget(self) boxLayout = qt.QHBoxLayout(box) boxLayout.addWidget(qt.HorizontalSpacer(box)) self.__dismissButton = qt.QPushButton(box) boxLayout.addWidget(self.__dismissButton) boxLayout.addWidget(qt.HorizontalSpacer(box)) self.__dismissButton.setText("Close") self.__startButton = qt.QPushButton(box) boxLayout.addWidget(self.__startButton) boxLayout.addWidget(qt.HorizontalSpacer(box)) self.__startButton.setText("Start") self.mainLayout.addWidget(box) self.__dismissButton.clicked.connect(self.close) self.__startButton.clicked.connect(self.start) def setFileList(self,filelist=None): if filelist is None:filelist = [] if True or self.__goodFileList(filelist): text = "" #respect initial file list choice #filelist.sort() for ffile in filelist: text += "%s\n" % ffile self.fileList = filelist self.__listView.setText(text) if len(filelist): PyMcaDirs.inputDir = os.path.dirname(filelist[0]) def setOutputDir(self,outputdir=None): if outputdir is None:return if self.__goodOutputDir(outputdir): self.outputDir = outputdir self.__outLine.setText(outputdir) PyMcaDirs.outputDir = self.outputDir else: qt.QMessageBox.critical(self, "ERROR", "Cannot use output directory:\n%s"% (outputdir)) def __goodFileList(self,filelist): if not len(filelist):return True for file in filelist: if not os.path.exists(file): qt.QMessageBox.critical(self, "ERROR",'File %s\ndoes not exists' % file) self.raiseW() return False return True def __goodOutputDir(self,outputdir): if os.path.isdir(outputdir):return True else:return False def browseList(self): if self.inputDir is None:self.inputDir = PyMcaDirs.inputDir if not os.path.exists(self.inputDir): self.inputDir = os.getcwd() wdir = self.inputDir if QTVERSION < '4.0.0': filedialog = qt.QFileDialog(self,"Open a set of files",1) filedialog.setMode(filedialog.ExistingFiles) filedialog.setDir(wdir) filedialog.setFilters("Mca Files (*.mca)\nSpec Files (*.dat)\nAll Files (*)\n") if filedialog.exec_loop() == qt.QDialog.Accepted: filelist0=filedialog.selectedFiles() else: self.raiseW() return else: filedialog = qt.QFileDialog(self) filedialog.setWindowTitle("Open a set of files") filedialog.setDirectory(wdir) if hasattr(filedialog, "setFilters"): filedialog.setFilters(["Mca Files (*.mca)", "Spec Files (*.dat)", "All Files (*)"]) else: filedialog.setNameFilters(["Mca Files (*.mca)", "Spec Files (*.dat)", "All Files (*)"]) filedialog.setModal(1) filedialog.setFileMode(filedialog.ExistingFiles) ret = filedialog.exec_() if ret == qt.QDialog.Accepted: filelist0=filedialog.selectedFiles() else: self.raise_() return filelist = [] for f in filelist0: filelist.append(qt.safe_str(f)) if len(filelist): self.setFileList(filelist) if QTVERSION < '4.0.0': self.raiseW() else: self.raise_() def browseConfig(self): filename = qt.QFileDialog(self,"Open a new fit config file",1) filename.setMode(filename.ExistingFiles) if hasattr(filename, "setFilters"): filename.setFilters("Config Files (*.cfg)\nAll files (*)") else: filename.setNameFilters("Config Files (*.cfg)\nAll files (*)") if filename.exec_loop() == qt.QDialog.Accepted: filename = filename.selectedFile() else: self.raiseW() return filename= qt.safe_str(filename) if len(filename): self.setConfigFile(filename) self.raiseW() def browseOutputDir(self): if self.outputDir is None: self.outputDir = PyMcaDirs.outputDir if not os.path.exists(self.outputDir): self.outputDir = os.getcwd() wdir = self.outputDir if QTVERSION < '4.0.0': outfile = qt.QFileDialog(self,"Output Directory Selection",1) outfile.setMode(outfile.DirectoryOnly) outfile.setDir(wdir) ret = outfile.exec_loop() else: outfile = qt.QFileDialog(self) outfile.setWindowTitle("Output Directory Selection") outfile.setModal(1) outfile.setDirectory(wdir) outfile.setFileMode(outfile.DirectoryOnly) ret = outfile.exec_() if ret: if QTVERSION < '4.0.0': outdir = qt.safe_str(outfile.selectedFile()) else: outdir = qt.safe_str(outfile.selectedFiles()[0]) outfile.close() del outfile self.setOutputDir(outdir) else: # pyflakes http://bugs.debian.org/cgi-bin/bugreport.cgi?bug=666494 outfile.close() del outfile if QTVERSION < '4.0.0': self.raiseW() else: self.raise_() def start(self): if not len(self.fileList): qt.QMessageBox.critical(self, "ERROR",'Empty file list') if QTVERSION < '4.0.0': self.raiseW() else: self.raise_() return if (self.outputDir is None) or (not self.__goodOutputDir(self.outputDir)): qt.QMessageBox.critical(self, "ERROR",'Invalid output directory') if QTVERSION < '4.0.0': self.raiseW() else: self.raise_() return name = "Batch from %s to %s " % (os.path.basename(self.fileList[ 0]), os.path.basename(self.fileList[-1])) window = Mca2EdfWindow(name="Mca 2 Edf "+name,actions=1) self.fileStep = int(qt.safe_str(self.__fileSpin.text())) b = Mca2EdfBatch(window,self.fileList,self.outputDir, self.fileStep) def cleanup(): b.pleasePause = 0 b.pleaseBreak = 1 b.wait() qApp = qt.QApplication.instance() qApp.processEvents() def pause(): if b.pleasePause: b.pleasePause=0 window.pauseButton.setText("Pause") else: b.pleasePause=1 window.pauseButton.setText("Continue") window.pauseButton.clicked.connect(pause) window.abortButton.clicked.connect(window.close) qApp = qt.QApplication.instance() qApp.aboutToQuit.connect(cleanup) self.__window = window self.__b = b window.show() b.start() class Mca2EdfBatch(qt.QThread): def __init__(self, parent, filelist=None, outputdir = None, filestep = 1): self._filelist = filelist self.outputdir = outputdir self.filestep = filestep qt.QThread.__init__(self) self.parent = parent self.pleasePause = 0 def processList(self): self.__ncols = None self.__nrows = self.filestep counter = 0 ffile = SpecFileLayer.SpecFileLayer() for fitfile in self._filelist: self.onNewFile(fitfile, self._filelist) ffile.SetSource(fitfile) fileinfo = ffile.GetSourceInfo() # nscans = len(fileinfo['KeyList']) for scankey in fileinfo['KeyList']: scan,order = scankey.split(".") info,data = ffile.LoadSource(scankey) scan_obj = ffile.Source.select(scankey) if info['NbMca'] > 0: for i in range(info['NbMca']): point = int(i/info['NbMcaDet']) + 1 mca = (i % info['NbMcaDet']) + 1 key = "%s.%s.%05d.%d" % (scan,order,point,mca) if i == 0: mcainfo,mcadata = ffile.LoadSource(key) mcadata = scan_obj.mca(i+1) y0 = numpy.array(mcadata, numpy.float) if counter == 0: key0 = "%s key %s" % (os.path.basename(fitfile), key) self.__ncols = len(y0) image = numpy.zeros((self.__nrows,self.__ncols), \ numpy.float) if self.__ncols != len(y0): print("spectrum has different number of columns") print("skipping it") else: image[counter,:] = y0[:] if (counter+1) == self.filestep: if self.filestep > 1: key1 = "%s key %s" % (os.path.basename(fitfile), key) title = "%s to %s" % (key0, key1) else: title = key0 if 1: ddict={} if 'Channel0' in mcainfo: ddict['MCA start ch'] =\ int(mcainfo['Channel0']) if 'McaCalib' in mcainfo: ddict['MCA a'] = mcainfo['McaCalib'][0] ddict['MCA b'] = mcainfo['McaCalib'][1] ddict['MCA c'] = mcainfo['McaCalib'][2] else: ddict = mcainfo ddict['Title'] = title edfname = os.path.join(self.outputdir,title.replace(" ","_")+".edf") edfout = EdfFile.EdfFile(edfname) edfout.WriteImage (ddict , image, Append=0) counter = 0 else: counter += 1 self.onEnd() def run(self): self.processList() def onNewFile(self, file, filelist): qt.QApplication.postEvent(self.parent, McaCustomEvent.McaCustomEvent({'file':file, 'filelist':filelist, 'event':'onNewFile'})) if self.pleasePause:self.__pauseMethod() def onEnd(self): qt.QApplication.postEvent(self.parent, McaCustomEvent.McaCustomEvent({'event':'onEnd'})) if self.pleasePause:self.__pauseMethod() def __pauseMethod(self): qt.QApplication.postEvent(self.parent, McaCustomEvent.McaCustomEvent({'event':'batchPaused'})) while(self.pleasePause): time.sleep(1) qt.QApplication.postEvent(self.parent, McaCustomEvent.McaCustomEvent({'event':'batchResumed'})) class Mca2EdfWindow(qt.QWidget): def __init__(self,parent=None, name="BatchWindow", fl=0, actions = 0): if qt.qVersion() < '4.0.0': qt.QWidget.__init__(self, parent, name, fl) self.setCaption(name) else: qt.QWidget.__init__(self, parent) self.setWindowTitle(name) self.l = qt.QVBoxLayout(self) self.l.setContentsMargins(0, 0, 0, 0) self.l.setSpacing(0) self.bars =qt.QWidget(self) self.l.addWidget(self.bars) if QTVERSION < '4.0.0': self.barsLayout = qt.QGridLayout(self.bars,2,3) else: self.barsLayout = qt.QGridLayout(self.bars) self.barsLayout.setContentsMargins(2, 2, 2, 2) self.barsLayout.setSpacing(3) self.progressBar = qt.QProgressBar(self.bars) self.progressLabel = qt.QLabel(self.bars) self.progressLabel.setText('File Progress:') self.barsLayout.addWidget(self.progressLabel,0,0) self.barsLayout.addWidget(self.progressBar,0,1) self.status = qt.QLabel(self) self.l.addWidget(self.status) self.status.setText(" ") self.timeLeft = qt.QLabel(self) self.l.addWidget(self.timeLeft) self.timeLeft.setText("Estimated time left = ???? min") self.time0 = None if actions: self.addButtons() self.show() if QTVERSION < '4.0.0': self.raiseW() else: self.raise_() def addButtons(self): self.actions = 1 self.buttonsBox = qt.QWidget(self) l = qt.QHBoxLayout(self.buttonsBox) l.addWidget(qt.HorizontalSpacer(self.buttonsBox)) self.pauseButton = qt.QPushButton(self.buttonsBox) l.addWidget(self.pauseButton) l.addWidget(qt.HorizontalSpacer(self.buttonsBox)) self.pauseButton.setText("Pause") self.abortButton = qt.QPushButton(self.buttonsBox) l.addWidget(self.abortButton) l.addWidget(qt.HorizontalSpacer(self.buttonsBox)) self.abortButton.setText("Abort") self.l.addWidget(self.buttonsBox) self.update() def customEvent(self,event): if event.dict['event'] == 'onNewFile':self.onNewFile(event.dict['file'], event.dict['filelist']) elif event.dict['event'] == 'onEnd': self.onEnd(event.dict) elif event.dict['event'] == 'batchPaused': self.onPause() elif event.dict['event'] == 'batchResumed':self.onResume() else: print("Unhandled event %s" % event) def onNewFile(self, file, filelist): indexlist = range(0,len(filelist)) index = indexlist.index(filelist.index(file)) nfiles = len(indexlist) self.status.setText("Processing file %s" % file) e = time.time() if QTVERSION < '4.0.0': self.progressBar.setTotalSteps(nfiles) self.progressBar.setProgress(index) else: self.progressBar.setMaximum(nfiles) self.progressBar.setValue(index) if self.time0 is not None: t = (e - self.time0) * (nfiles - index) self.time0 =e if t < 120: self.timeLeft.setText("Estimated time left = %d sec" % (t)) else: self.timeLeft.setText("Estimated time left = %d min" % (int(t / 60.))) else: self.time0 = e if sys.platform == 'darwin': qApp = qt.QApplication.instance() qApp.processEvents() def onEnd(self,ddict): if QTVERSION < '4.0.0': n = self.progressBar.progress() self.progressBar.setProgress(n+1) else: n = self.progressBar.value() self.progressBar.setValue(n+1) self.status.setText ("Batch Finished") self.timeLeft.setText("Estimated time left = 0 sec") if self.actions: self.pauseButton.hide() self.abortButton.setText("OK") def onPause(self): pass def onResume(self): pass def main(): import getopt options = 'f' longoptions = ['outdir=', 'listfile=', 'mcastep='] filelist = None outdir = None listfile = None mcastep = 1 opts, args = getopt.getopt( sys.argv[1:], options, longoptions) for opt,arg in opts: if opt in ('--outdir'): outdir = arg elif opt in ('--listfile'): listfile = arg elif opt in ('--mcastep'): mcastep = int(arg) if listfile is None: filelist=[] for item in args: filelist.append(item) else: fd = open(listfile) filelist = fd.readlines() fd.close() for i in range(len(filelist)): filelist[i]=filelist[i].replace('\n','') app=qt.QApplication(sys.argv) winpalette = qt.QPalette(qt.QColor(230,240,249),qt.QColor(238,234,238)) app.setPalette(winpalette) app.lastWindowClosed.connect(app.quit) if len(filelist) == 0: w = Mca2EdfGUI(actions=1) w.show() sys.exit(app.exec_()) else: text = "Batch from %s to %s" % (os.path.basename(filelist[0]), \ os.path.basename(filelist[-1])) window = Mca2EdfWindow(name=text,actions=1) b = Mca2EdfBatch(window,filelist,outdir,mcastep) def cleanup(): b.pleasePause = 0 b.pleaseBreak = 1 b.wait() qApp = qt.QApplication.instance() qApp.processEvents() def pause(): if b.pleasePause: b.pleasePause=0 window.pauseButton.setText("Pause") else: b.pleasePause=1 window.pauseButton.setText("Continue") window.pauseButton.clicked.connect(pause) window.abortButton.clicked.connect(window.close) app.aboutToQuit.connect(cleanup) window.show() b.start() sys.exit(app.exec_()) if __name__ == "__main__": main() # Mca2Edf.py --outdir=/tmp --mcastep=1 *.mca # PyMcaBatch.py --cfg=/mntdirect/_bliss/users/sole/COTTE/WithLead.cfg --outdir=/tmp/ /mntdirect/_bliss/users/sole/COTTE/ch09/ch09__mca_0003_0000_0007.edf /mntdirect/_bliss/users/sole/COTTE/ch09/ch09__mca_0003_0000_0008.edf /mntdirect/_bliss/users/sole/COTTE/ch09/ch09__mca_0003_0000_0009.edf /mntdirect/_bliss/users/sole/COTTE/ch09/ch09__mca_0003_0000_0010.edf /mntdirect/_bliss/users/sole/COTTE/ch09/ch09__mca_0003_0000_0011.edf /mntdirect/_bliss/users/sole/COTTE/ch09/ch09__mca_0003_0000_0012.edf /mntdirect/_bliss/users/sole/COTTE/ch09/ch09__mca_0003_0000_0013.edf & # PyMcaBatch.exe --cfg=E:/COTTE/WithLead.cfg --outdir=C:/tmp/ E:/COTTE/ch09/ch09__mca_0003_0000_0007.edf E:/COTTE/ch09/ch09__mca_0003_0000_0008.edf PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/XiaCorrectWizard.py0000644000276300001750000004153013136054446022417 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2015 E. Papillon, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "E. Papillon - ESRF Software group" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" from PyMca5.PyMcaGui import PyMcaQt as qt import os.path __revision__="$Revision: 1.9 $" class XiaCorrectionWidget(qt.QWizardPage): def __init__(self, parent=None): qt.QWizardPage.__init__(self, parent) layout= qt.QVBoxLayout(self) layout.setContentsMargins(10, 10, 10, 10) layout.setSpacing(5) self.deadCheck= qt.QCheckBox("DeadTime correction", self) self.liveCheck= qt.QCheckBox("LiveTime normalization", self) lineSep= qt.QFrame(self) lineSep.setFrameStyle(qt.QFrame.HLine|qt.QFrame.Sunken) optWidget= qt.QWidget(self) optLayout= qt.QHBoxLayout(optWidget) self.sumCheck= qt.QCheckBox("SUM or", optWidget) self.avgCheck= qt.QCheckBox("AVERAGE selected detectors", optWidget) optLayout.addWidget(self.sumCheck, 0) optLayout.addWidget(self.avgCheck, 1) layout.addWidget(self.deadCheck) layout.addWidget(self.liveCheck) layout.addWidget(lineSep) layout.addWidget(optWidget) self.sumCheck.toggled[bool].connect(self.__sumCheckChanged) self.avgCheck.toggled[bool].connect(self.__avgCheckChanged) sumWidget= qt.QWidget(self) sumLayout= qt.QHBoxLayout(sumWidget) sumLayout.setContentsMargins(0, 0, 0, 0) sumLayout.setSpacing(5) butWidget= qt.QWidget(sumWidget) butLayout= qt.QVBoxLayout(butWidget) butLayout.setContentsMargins(0, 0, 0, 0) butLayout.setSpacing(0) self.sumTable= qt.QTableWidget(sumWidget) self.sumTable.setRowCount(0) self.sumTable.setColumnCount(1) item = self.sumTable.horizontalHeaderItem(0) if item is None: item = qt.QTableWidgetItem("Detectors", qt.QTableWidgetItem.Type) item.setText("Detectors") self.sumTable.setHorizontalHeaderItem(0, item) self.sumTable.cellChanged[int,int].connect(self.__valueChanged) buttonAdd= qt.QPushButton("Add", butWidget) buttonDel= qt.QPushButton("Remove", butWidget) butLayout.addWidget(buttonAdd) butLayout.addWidget(buttonDel) butLayout.addStretch() buttonAdd.clicked.connect(self.__add) buttonDel.clicked.connect(self.__remove) sumLayout.addWidget(self.sumTable) sumLayout.addWidget(butWidget) layout.addWidget(sumWidget) def set(self, pars= {}): self.deadCheck.setChecked(pars.get("deadtime", 0)) self.liveCheck.setChecked(pars.get("livetime", 0)) sums= pars.get("sums", None) self.sumTable.setNumRows(0) if sums is None: self.sumCheck.setChecked(0) else: self.sumCheck.setChecked(1) for sum in sums: self.addSum(sum) def check(self): pars= self.get() if not pars["deadtime"] and not pars["livetime"] and pars["sums"] is None: qt.QMessageBox.warning(self, "No corections or sum", \ "You must at least choose one of livetime, deadtime or sum detectors.", \ qt.QMessageBox.Ok, qt.QMessageBox.NoButton) return None else: return pars def get(self): pars= {} pars["deadtime"]= int(self.deadCheck.isChecked()) pars["livetime"]= int(self.liveCheck.isChecked()) pars["avgflag"]= int(self.avgCheck.isChecked()) pars["sums"]= None if self.sumCheck.isChecked() or self.avgCheck.isChecked(): sums= [] for row in range(self.sumTable.rowCount()): dets= qt.safe_str(self.sumTable.item(row, 0).text()) if dets.find("All")!=-1: sums.append([]) else: sums.append([ int(det) for det in dets.split() ]) if len(sums): pars["sums"]= sums return pars def addSum(self, detectors= [], name=None): num= self.sumTable.rowCount() self.sumTable.setRowCount(num + 1) if len(detectors): itemText= " ".join(detectors) else: itemText= "All" item = self.sumTable.item(num, 0) if item is None: item = qt.QTableWidgetItem("Detectors", qt.QTableWidgetItem.Type) self.sumTable.setItem(num, 0, item) item.setText(itemText) def __add(self): if not self.sumCheck.isChecked() and not self.avgCheck.isChecked(): self.sumCheck.setChecked(1) else: self.addSum() def __remove(self): self.sumTable.removeRow(self.sumTable.currentRow()) if not self.sumTable.rowCount(): self.sumCheck.setChecked(0) def __valueChanged(self, row, col): if col==0: item = self.sumTable.item(row, col) if item is None: item = qt.QTableWidgetItem("", qt.QTableWidgetItem.Type) self.sumTable.setItem(row, col, item) text= qt.safe_str(item.text()) if text.find("All")!=-1 or text.find("all")!=-1 or text.find("-1")!=-1: item.setText("All") else: detsplit= text.replace(",", " ") detsplit= detsplit.replace(";", " ") detsplit= detsplit.replace(":", " ") detsplit= detsplit.split() dets= [] for det in detsplit: try: detno= int(det) except: detno= -1 if detno>=0: dets.append(det) if len(dets): item.setText(' '.join(dets)) else: item.setText("All") def __sumCheckChanged(self, state): if state: if self.avgCheck.isChecked(): self.avgCheck.setChecked(0) if not self.sumTable.rowCount(): self.addSum() def __avgCheckChanged(self, state): if state: if self.sumCheck.isChecked(): self.sumCheck.setChecked(0) if not self.sumTable.rowCount(): self.addSum() class XiaInputWidget(qt.QWizardPage): def __init__(self, parent=None): qt.QWizardPage.__init__(self, parent) layout= qt.QVBoxLayout(self) layout.setContentsMargins(10, 10, 10, 10) layout.setSpacing(5) self.listFiles= qt.QListWidget(self) self.listFiles.setSelectionMode(qt.QAbstractItemView.ExtendedSelection) butWidget= qt.QWidget(self) butLayout= qt.QHBoxLayout(butWidget) butLayout.setContentsMargins(0, 0, 0, 0) butLayout.setSpacing(5) butRemove= qt.QPushButton("Remove", butWidget) butFiles= qt.QPushButton("Add Files", butWidget) butDirectory= qt.QPushButton("Add Directory", butWidget) butRemove.clicked.connect(self.__remove) butFiles.clicked.connect(self.__addFiles) butDirectory.clicked.connect(self.__addDirectory) butLayout.addWidget(butRemove) butLayout.addWidget(butFiles) butLayout.addWidget(butDirectory) layout.addWidget(self.listFiles) layout.addWidget(butWidget) def __addFiles(self): filetypes = "Edf Files (*.edf)\n All Files (*)\n" files= qt.QFileDialog.getOpenFileNames(self, "Add XIA Edf Files", "", filetypes) for name in files: self.__addInFileList("file", name) def __addInFileList(self, type, name): itemname= "%s:%s"%(type, name) for i in range(self.listFiles.count()): item = self.listFiles.item(i) if qt.safe_str(item.text())==itemname: return 0 self.listFiles.addItem(itemname) return 1 def __addDirectory(self): wdir = "" directory = qt.QFileDialog.getExistingDirectory(self, "Add Full Directory", wdir) if directory is not None: self.__addInFileList("directory", directory) def __remove(self): todel= [] for i in range(self.listFiles.count()): item = self.listFiles.item(i) if item.isSelected(): todel.append(i) todel.reverse() for item in todel: self.listFiles.takeItem(item) def __getFileList(self): files= [] for i in range(self.listFiles.count()): item = self.listFiles.item(i) (type, name)= qt.safe_str(item.text()).split(":", 1) if type=="file": files.append(os.path.normpath(name)) else: files += [os.path.join(name, file) for file in os.listdir(name)] return files def get(self): pars= {} pars["files"]= self.__getFileList() return pars def check(self): pars= self.get() if not len(pars["files"]): return None else: return pars class XiaOutputWidget(qt.QWizardPage): DefaultOutname= "corr" def __init__(self, parent=None): qt.QWizardPage.__init__(self, parent) #, name, fl) layout= qt.QVBoxLayout(self) layout.setContentsMargins(10, 10, 10, 10) layout.setSpacing(5) topWidget= qt.QWidget(self) topLayout= qt.QGridLayout(topWidget) topLayout.setContentsMargins(0, 0, 0, 0) topLayout.setSpacing(5) dirLabel= qt.QLabel("Directory", topWidget) nameLabel= qt.QLabel("Prefix name", topWidget) topLayout.addWidget(dirLabel, 0, 0) topLayout.addWidget(nameLabel, 1, 0) self.directory= qt.QLineEdit(topWidget) self.outname= qt.QLineEdit(topWidget) topLayout.addWidget(self.directory, 0, 1) topLayout.addWidget(self.outname, 1, 1) self.directory.returnPressed[()].connect(self.__directoryCheck) butDirectory= qt.QPushButton("Find", topWidget) butOutname= qt.QPushButton("Default", topWidget) topLayout.addWidget(butDirectory, 0, 2) topLayout.addWidget(butOutname, 1, 2) butDirectory.clicked.connect(self.__openDirectory) butOutname.clicked.connect(self.__defaultOutname) lineSep= qt.QFrame(self) lineSep.setFrameStyle(qt.QFrame.HLine|qt.QFrame.Sunken) self.forceCheck= qt.QCheckBox("Force overwriting existing files", self) self.verboseCheck= qt.QCheckBox("Verbose mode", self) layout.addWidget(topWidget) layout.addWidget(lineSep) layout.addWidget(self.forceCheck) layout.addWidget(self.verboseCheck) layout.addStretch() self.__defaultOutname() def __openDirectory(self): wdir = "" outfile = qt.QFileDialog(self) outfile.setWindowTitle("Set Output Directory") outfile.setModal(1) outfile.setDirectory(wdir) outfile.setFileMode(outfile.DirectoryOnly) ret = outfile.exec_() directory = None if ret: directory = qt.safe_str(outfile.selectedFiles()[0]) outfile.close() else: outfile.close() del outfile if directory is not None: self.directory.setText(directory) def __directoryCheck(self): dirname= qt.safe_str(self.directory.text()) if len(dirname): if not os.path.isdir(dirname): qt.QMessageBox.warning(self, "Output Directory", \ "The output directory specified does not exist !!", \ qt.QMessageBox.Ok, qt.QMessageBox.NoButton) return 0 else: dirname= None return dirname def __defaultOutname(self): self.outname.setText(self.DefaultOutname) def get(self): pars= {} pars["force"]= int(self.forceCheck.isChecked()) pars["verbose"]= int(self.verboseCheck.isChecked()) pars["output"]= self.__directoryCheck() if pars["output"]==0: pars["output"]= None pars["name"]= qt.safe_str(self.outname.text()) if not len(pars["name"]): pars["name"]= self.DefaultOutname return pars def check(self): if self.__directoryCheck()==0: return None else: return self.get() class XiaRunWidget(qt.QWidget): sigStarted = qt.pyqtSignal(()) sigFinished = qt.pyqtSignal(()) def __init__(self, parent=None, name=None, fl=0): qt.QWidget.__init__(self, parent, name, fl) layout= qt.QVBoxLayout(self, 10, 5) self.logText= qt.QTextEdit(self) self.logText.setReadOnly(1) progressWidget= qt.QWidget(self) progressLayout= qt.QHBoxLayout(progressWidget, 0, 5) self.progressBar= qt.QProgressBar(progressWidget) self.startButton= qt.QPushButton("Start", progressWidget) font= self.startButton.font() font.setBold(1) self.startButton.setFont(font) progressLayout.addWidget(self.progressBar) progressLayout.addWidget(self.startButton) layout.addWidget(self.logText) layout.addWidget(progressWidget) self.startButton.clicked.connect(self.start) self.parameters= {} def set(self, pars): self.parameters= pars def start(self): self.sigStarted.emit(()) import time for idx in range(30): self.logText.append("%d"%idx) qApp = qt.QApplication.instance() qApp.processEvents() time.sleep(.5) print(idx) self.sigFinished.emit(()) class XiaCorrectWizard(qt.QWizard): def __init__(self, parent=None, name=None, modal=0, fl=0): qt.QWizard.__init__(self, parent) self.setModal(modal) #fl) self.setWindowTitle("Xia Correction Tool") self.resize(qt.QSize(400,300)) self.correction= XiaCorrectionWidget(self) self.input= XiaInputWidget(self) self.output= XiaOutputWidget(self) self.addPage(self.correction) #, "Corrections") self.addPage(self.input) #, "Input Files") self.addPage(self.output) #, "Output Directory") finish= self.button(self.FinishButton) font= finish.font() font.setBold(1) finish.setFont(font) finish.setText("Start") nnext = self.button(self.NextButton) nnext.clicked.connect(self.next) #self.setFinishEnabled(self.output, 1) self.output.setFinalPage(True) self.parameters= {} def next(self): widget= self.page(self.currentId() - 1) pars= widget.check() if pars is not None: self.parameters.update(pars) #qt.QWizard.next(self) def selected(self, name): if name==self.title(self.run): self.run.set(self.parameters) self.setBackEnabled(self.run, 0) def accept(self): pars= self.output.check() if pars is not None: self.parameters.update(pars) qt.QWizard.accept(self) def get(self): return self.parameters if __name__=="__main__": import sys app= qt.QApplication(sys.argv) wid= XiaCorrectWizard() app.setMainWidget(wid) app.lastWindowClosed.connect(app.quit) wid.show() app.exec_() print(wid.get()) PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/StackSimpleFitWindow.py0000644000276300001750000002444513136054446023253 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2015 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os import traceback import time from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5 import PyMcaDirs from PyMca5.PyMcaGui import SimpleFitGui from PyMca5.PyMcaGui import IconDict from PyMca5.PyMcaMath.fitting import StackSimpleFit from PyMca5.PyMcaIO import ArraySave from PyMca5.PyMcaGui import CalculationThread safe_str = qt.safe_str class OutputParameters(qt.QWidget): def __init__(self, parent=None): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(2, 2, 2, 2) self.mainLayout.setSpacing(2) self.outputDirLabel = qt.QLabel(self) self.outputDirLabel.setText("Output directory") self.outputDirLine = qt.QLineEdit(self) self.outputDirLine.setReadOnly(True) self.outputDirButton = qt.QPushButton(self) self.outputDirButton.setText("Browse") self.outputFileLabel = qt.QLabel(self) self.outputFileLabel.setText("Output file root") self.outputFileLine = qt.QLineEdit(self) self.outputFileLine.setReadOnly(True) self.outputDir = PyMcaDirs.outputDir self.outputFile = "StackSimpleFitOutput" self.setOutputDirectory(self.outputDir) self.setOutputFileBaseName(self.outputFile) self.mainLayout.addWidget(self.outputDirLabel, 0, 0) self.mainLayout.addWidget(self.outputDirLine, 0, 1) self.mainLayout.addWidget(self.outputDirButton, 0, 2) self.mainLayout.addWidget(self.outputFileLabel, 1, 0) self.mainLayout.addWidget(self.outputFileLine, 1, 1) self.outputDirButton.clicked.connect(self.browseDirectory) def getOutputDirectory(self): return safe_str(self.outputDirLine.text()) def getOutputFileBaseName(self): return safe_str(self.outputFileLine.text()) def setOutputDirectory(self, txt): if os.path.exists(txt): self.outputDirLine.setText(txt) self.outputDir = txt PyMcaDirs.outputDir = txt else: raise IOError("Directory does not exists") def setOutputFileBaseName(self, txt): if len(txt): self.outputFileLine.setText(txt) self.outputFile = txt def browseDirectory(self): wdir = self.outputDir outputDir = qt.QFileDialog.getExistingDirectory(self, "Please select output directory", wdir) if len(outputDir): self.setOutputDirectory(safe_str(outputDir)) class StackSimpleFitWindow(qt.QWidget): def __init__(self, parent=None): qt.QWidget.__init__(self, parent) self.setWindowTitle('Stack Fit Window') self.setWindowIcon(qt.QIcon(qt.QPixmap(IconDict['gioconda16']))) self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(2, 2, 2, 2) self.mainLayout.setSpacing(2) self.fitSetupWindow = SimpleFitGui.SimpleFitGui(self) self.fitSetupWindow.fitActions.dismissButton.hide() self.mainLayout.addWidget(self.fitSetupWindow) self.fitInstance = self.fitSetupWindow.fitModule self.stackFitInstance = StackSimpleFit.StackSimpleFit(fit=self.fitInstance) self.__mask = None self.importFunctions = self.fitSetupWindow.importFunctions self.outputParameters = OutputParameters(self) self.mainLayout.addWidget(self.outputParameters) self.startButton = qt.QPushButton(self) self.startButton.setText("FitStack") self.mainLayout.addWidget(self.startButton) self.startButton.clicked.connect(self.startStackFit) #progress handling self._total = 100 self._index = 0 self.stackFitInstance.setProgressCallback(self.progressBarUpdate) self.progressBar = qt.QProgressBar(self) self.mainLayout.addWidget(self.progressBar) #def setSpectrum(self, x, y, sigma=None, xmin=None, xmax=None): def setSpectrum(self, *var, **kw): self.fitSetupWindow.setData(*var, **kw) def setData(self, x, stack, data_index=-1, mask=None): self.stack_x = x self.stack_y = stack self.__mask = mask if hasattr(stack, "data") and\ hasattr(stack, "info"): data = stack.data else: data = stack if data_index < 0: data_index = range(len(data.shape))[data_index] self.data_index = data_index def setMask(self, mask): self.__mask = mask def processStack(self): self.stackFitInstance.processStack(mask=self.__mask) def startStackFit(self): xmin = self.fitInstance._fitConfiguration['fit']['xmin'] xmax = self.fitInstance._fitConfiguration['fit']['xmax'] self.stackFitInstance.setOutputDirectory(self.outputParameters.getOutputDirectory()) self.stackFitInstance.setOutputFileBaseName(self.outputParameters.getOutputFileBaseName()) self.stackFitInstance.setData(self.stack_x, self.stack_y, sigma=None, xmin=xmin, xmax=xmax) self.stackFitInstance.setDataIndex(self.data_index) #check filenames fileNames = self.stackFitInstance.getOutputFileNames() deleteFiles = None for key in fileNames.keys(): fileName = fileNames[key] if os.path.exists(fileName): msg = qt.QMessageBox() msg.setWindowTitle("Output file(s) exists") msg.setIcon(qt.QMessageBox.Information) msg.setText("Do you want to delete current output files?") msg.setStandardButtons(qt.QMessageBox.Yes|qt.QMessageBox.No) answer=msg.exec_() if answer == qt.QMessageBox.Yes: deleteFiles = True else: deleteFiles = False break if deleteFiles == False: #nothing to be done (yet) return if deleteFiles: try: for key in fileNames.keys(): fileName = fileNames[key] if os.path.exists(fileName): os.remove(fileName) except: qt.QMessageBox.critical(self, "Delete Error", "ERROR while deleting file:\n%s"% fileName, qt.QMessageBox.Ok, qt.QMessageBox.NoButton, qt.QMessageBox.NoButton) return try: self._startWork() except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setWindowTitle("Stack Fitting Error") msg.setText("Error has occured while processing the data") msg.setInformativeText(safe_str(sys.exc_info()[1])) msg.setDetailedText(traceback.format_exc()) msg.exec_() finally: self.progressBar.hide() self.setEnabled(True) def _startWork(self): self.setEnabled(False) self.progressBar.show() thread = CalculationThread.CalculationThread(parent=self, calculation_method=self.processStack) thread.start() self._total = 100 self._index = 0 while thread.isRunning(): time.sleep(2) qApp = qt.QApplication.instance() qApp.processEvents() self.progressBar.setMaximum(self._total) self.progressBar.setValue(self._index) self.progressBar.hide() self.setEnabled(True) if thread.result is not None: if len(thread.result): raise Exception(*thread.result[1:]) def progressBarUpdate(self, idx, total): self._index = int(idx) self._total = int(total) if idx % 10 == 0: print("Fited %d of %d" % (idx, total)) def threadFinished(self): self.setEnabled(True) if __name__ == "__main__": import numpy from PyMca5.PyMcaMath.fitting import SpecfitFuns from PyMca5.PyMcaMath.fitting import SimpleFitUserEstimatedFunctions as Functions x = numpy.arange(1000.) data = numpy.zeros((50, 1000), numpy.float) #the peaks to be fitted p0 = [100., 300., 50., 200., 500., 30., 300., 800., 65] #generate the data to be fitted for i in range(data.shape[0]): nPeaks = 3 - i % 3 data[i,:] = SpecfitFuns.gauss(p0[:3*nPeaks],x) #the spectrum for setup y = data.sum(axis=0) oldShape = data.shape data.shape = 1,oldShape[0], oldShape[1] app = qt.QApplication([]) w = StackSimpleFitWindow() w.setSpectrum(x, y) w.setData(x, data) #w.importFunctions(Functions.__file__) #w.fitModule.setFitFunction('Gaussians') w.show() app.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/EdfFileSimpleViewer.py0000644000276300001750000001244713136054446023032 0ustar solebliss00000000000000#!/usr/bin/env python #/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" from PyMca5.PyMcaGui import PyMcaQt as qt QTVERSION = qt.qVersion() DEBUG = 0 from PyMca5.PyMcaGui import QSourceSelector from PyMca5.PyMcaGui.pymca import QDataSource from PyMca5.PyMcaGui import QEdfFileWidget class EdfFileSimpleViewer(qt.QWidget): def __init__(self, parent=None): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(0) self.sourceList = [] filetypelist = ["EDF Files (*edf)", "EDF Files (*ccd)", "All Files (*)"] self.sourceSelector = QSourceSelector.QSourceSelector(self, filetypelist = filetypelist) self.sourceSelector.specButton.hide() self.selectorWidget = {} self.selectorWidget[QEdfFileWidget.SOURCE_TYPE] = QEdfFileWidget.\ QEdfFileWidget(self,justviewer=1) self.mainLayout.addWidget(self.sourceSelector) self.mainLayout.addWidget(self.selectorWidget[QEdfFileWidget.SOURCE_TYPE]) self.sourceSelector.sigSourceSelectorSignal.connect( \ self._sourceSelectorSlot) def _sourceSelectorSlot(self, ddict): if DEBUG: print("_sourceSelectorSlot(self, ddict)") print("ddict = ",ddict) if ddict["event"] == "NewSourceSelected": source = QDataSource.QDataSource(ddict["sourcelist"]) self.sourceList.append(source) sourceType = source.sourceType self.selectorWidget[sourceType].setDataSource(source) elif ddict["event"] == "SourceSelected": found = 0 for source in self.sourceList: if source.sourceName == ddict["sourcelist"]: found = 1 break if not found: if DEBUG: print("WARNING: source not found") return sourceType = source.sourceType self.selectorWidget[sourceType].setDataSource(source) elif ddict["event"] == "SourceClosed": found = 0 for source in self.sourceList: if source.sourceName == ddict["sourcelist"]: found = 1 break if not found: if DEBUG: print("WARNING: source not found") return sourceType = source.sourceType del self.sourceList[self.sourceList.index(source)] for source in self.sourceList: if sourceType == source.sourceType: self.selectorWidget[sourceType].setDataSource(source) return #there is no other selection of that type if len(self.sourceList): source = self.sourceList[0] sourceType = source.sourceType self.selectorWidget[sourceType].setDataSource(source) else: self.selectorWidget[sourceType].setDataSource(None) def setFileList(self, filelist): for ffile in filelist: self.sourceSelector.openFile(ffile, justloaded = 1) def main(): import sys import getopt app=qt.QApplication(sys.argv) winpalette = qt.QPalette(qt.QColor(230,240,249),qt.QColor(238,234,238)) app.setPalette(winpalette) options='' longoptions=[] opts, args = getopt.getopt( sys.argv[1:], options, longoptions) for opt,arg in opts: pass filelist=args app.lastWindowClosed.connect(app.quit) w=EdfFileSimpleViewer() if len(filelist): w.setFileList(filelist) w.show() app.exec_() if __name__ == "__main__": main() PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/QPyMcaMatplotlibSave1D.py0000644000276300001750000005666613136054446023401 0ustar solebliss00000000000000#!/usr/bin/env python #/*########################################################################## # Copyright (C) 2004-2015 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os import numpy from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaGui import PyMca_Icons IconDict = PyMca_Icons.IconDict from PyMca5.PyMcaGui import PyMcaPrintPreview from PyMca5.PyMcaCore import PyMcaDirs from matplotlib import cm from matplotlib import __version__ as matplotlib_version from matplotlib.font_manager import FontProperties if "PyQt5" in sys.modules: import matplotlib matplotlib.rcParams['backend']='Qt5Agg' from matplotlib.backends.backend_qt5agg import FigureCanvasQTAgg as FigureCanvas else: from matplotlib.backends.backend_qt4agg import FigureCanvasQTAgg as FigureCanvas from matplotlib.figure import Figure DEBUG = 0 colordict = {} colordict['blue'] = '#0000ff' colordict['red'] = '#ff0000' colordict['green'] = '#00ff00' colordict['black'] = '#000000' colordict['white'] = '#ffffff' colordict['pink'] = '#ff66ff' colordict['brown'] = '#a52a2a' colordict['orange'] = '#ff9900' colordict['violet'] = '#6600ff' colordict['grey'] = '#808080' colordict['yellow'] = '#ffff00' colordict['darkgreen'] = 'g' colordict['darkbrown'] = '#660000' colordict['magenta'] = 'm' colordict['cyan'] = 'c' colordict['bluegreen'] = '#33ffff' colorlist = [colordict['black'], colordict['red'], colordict['blue'], colordict['green'], colordict['pink'], colordict['brown'], colordict['cyan'], colordict['orange'], colordict['violet'], colordict['bluegreen'], colordict['grey'], colordict['magenta'], colordict['darkgreen'], colordict['darkbrown'], colordict['yellow']] class MatplotlibCurveTable(qt.QTableWidget): sigCurveTableSignal = qt.pyqtSignal(object) def __init__(self, parent=None): qt.QTableWidget.__init__(self, parent) labels = ["Curve", "Alias", "Color", "Line Style", "Line Symbol"] n = len(labels) self.setColumnCount(len(labels)) for i in range(len(labels)): item = self.horizontalHeaderItem(i) if item is None: item = qt.QTableWidgetItem(labels[i], qt.QTableWidgetItem.Type) item.setText(labels[i]) self.setHorizontalHeaderItem(i,item) rheight = self.horizontalHeader().sizeHint().height() self.setMinimumHeight(5*rheight) self.labels = labels def setCurveListAndDict(self, curvelist, curvedict): n = len(curvelist) self.setRowCount(n) if n < 1: return rheight = self.horizontalHeader().sizeHint().height() for i in range(n): self.setRowHeight(i, rheight) i = 0 #self.__disconnect = True for legend in curvelist: self.addCurve(i, legend, curvedict[legend]) i += 1 #self.__disconnect = False #self.resizeColumnToContents(0) #self.resizeColumnToContents(3) def addCurve(self, i, legend, ddict): j = 0 widget = self.cellWidget(i, j) if widget is None: widget = CheckBoxItem(self, i, j) self.setCellWidget(i, j, widget) widget.sigCheckBoxItemSignal.connect(self._mySlot) widget.setChecked(True) widget.setText(legend) #alias alias = ddict.get('alias', None) if alias is None: alias = legend j = 1 item = self.item(i, j) if item is None: item = qt.QTableWidgetItem(alias, qt.QTableWidgetItem.Type) item.setTextAlignment(qt.Qt.AlignHCenter | qt.Qt.AlignVCenter) self.setItem(i, j, item) else: item.setText(alias) #item.setFlags(qt.Qt.ItemIsEnabled | qt.Qt.ItemIsSelectable) #color j = 2 widget = self.cellWidget(i, j) if widget is None: options = list(colordict.keys()) options.sort() widget = ComboBoxItem(self, i, j, options=options) self.setCellWidget(i, j, widget) widget.sigComboBoxItemSignal.connect(self._mySlot) color = ddict['color'] if color == 'k': color = '#000000' for key in colordict.keys(): if colordict[key] == color: break idx = widget.findText(key) widget.setCurrentIndex(idx) #linestyle j = 3 widget = self.cellWidget(i, j) options = ['-','--','-.',':',''] if widget is None: widget = ComboBoxItem(self, i, j, options=options) self.setCellWidget(i, j, widget) widget.sigComboBoxItemSignal.connect(self._mySlot) idx = widget.findText(ddict['linestyle']) widget.setCurrentIndex(idx) #line marker j = 4 widget = self.cellWidget(i, j) options = ['','o','+','x','^'] if widget is None: widget = ComboBoxItem(self, i, j, options=options) self.setCellWidget(i, j, widget) widget.sigComboBoxItemSignal.connect(self._mySlot) idx = widget.findText(ddict['linemarker']) widget.setCurrentIndex(idx) def _mySlot(self, ddict): #if self.__disconnect: # return ddict = {} ddict['curvelist'] = [] ddict['curvedict'] = {} for i in range(self.rowCount()): widget = self.cellWidget(i, 0) legend = str(widget.text()) ddict['curvelist'].append(legend) ddict['curvedict'][legend] = {} alias = str(self.item(i, 1).text()) if widget.isChecked(): plot = 1 else: plot = 0 ddict['curvedict'][legend]['plot'] = plot ddict['curvedict'][legend]['alias'] = alias widget = self.cellWidget(i, 2) color = colordict[str(widget.currentText())] ddict['curvedict'][legend]['color'] = color widget = self.cellWidget(i, 3) linestyle = str(widget.currentText()) ddict['curvedict'][legend]['linestyle'] = linestyle widget = self.cellWidget(i, 4) linemarker = str(widget.currentText()) ddict['curvedict'][legend]['linemarker'] = linemarker self.sigCurveTableSignal.emit(ddict) class ComboBoxItem(qt.QComboBox): sigComboBoxItemSignal = qt.pyqtSignal(object) def __init__(self, parent, row, col, options=[1,2,3]): qt.QCheckBox.__init__(self, parent) self.__row = row self.__col = col for option in options: self.addItem(option) self.activated[int].connect(self._mySignal) def _mySignal(self, value): ddict = {} ddict["event"] = "activated" ddict["item"] = value ddict["row"] = self.__row * 1 ddict["col"] = self.__col * 1 self.sigComboBoxItemSignal.emit(ddict) class CheckBoxItem(qt.QCheckBox): sigCheckBoxItemSignal = qt.pyqtSignal(object) def __init__(self, parent, row, col): qt.QCheckBox.__init__(self, parent) self.__row = row self.__col = col self.clicked[bool].connect(self._mySignal) def _mySignal(self, value): ddict = {} ddict["event"] = "clicked" ddict["state"] = value ddict["row"] = self.__row * 1 ddict["col"] = self.__col * 1 self.sigCheckBoxItemSignal.emit(ddict) class QPyMcaMatplotlibSaveDialog(qt.QDialog): def __init__(self, parent=None, **kw): qt.QDialog.__init__(self, parent) self.setWindowTitle("Matplotlib preview - Resize to your taste") self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(0) self._lastGoodSize = None self.axesLabelsWidget = qt.QWidget(self) layout = qt.QHBoxLayout(self.axesLabelsWidget) layout.setContentsMargins(0, 0, 0, 0) layout.setSpacing(2) xLabelLabel = qt.QLabel(self.axesLabelsWidget) xLabelLabel.setText("X Axis Label: ") self.xLabelLine = qt.QLineEdit(self.axesLabelsWidget) yLabelLabel = qt.QLabel(self.axesLabelsWidget) yLabelLabel.setText("Y Axis Label: ") self.yLabelLine = qt.QLineEdit(self.axesLabelsWidget) layout.addWidget(xLabelLabel) layout.addWidget(self.xLabelLine) layout.addWidget(yLabelLabel) layout.addWidget(self.yLabelLine) self.curveTable = MatplotlibCurveTable(self) self.plot = QPyMcaMatplotlibSave(self, **kw) self.plot.setCurveTable(self.curveTable) self.actionsWidget = qt.QWidget(self) layout = qt.QHBoxLayout(self.actionsWidget) layout.setContentsMargins(0, 0, 0, 0) layout.setSpacing(2) self.doNotShowAgain = qt.QCheckBox(self.actionsWidget) self.doNotShowAgain.setChecked(False) self.doNotShowAgain.setText("Don't show again this dialog") self.acceptButton = qt.QPushButton(self.actionsWidget) self.acceptButton.setText("Accept") self.acceptButton.setAutoDefault(False) self.dismissButton = qt.QPushButton(self.actionsWidget) self.dismissButton.setText("Dismiss") self.dismissButton.setAutoDefault(False) layout.addWidget(self.doNotShowAgain) layout.addWidget(qt.HorizontalSpacer(self.actionsWidget)) layout.addWidget(self.acceptButton) layout.addWidget(self.dismissButton) horizontal = False if horizontal: self.mainLayout.addWidget(self.axesLabelsWidget, 0, 0) self.mainLayout.addWidget(self.plot, 1, 0) self.mainLayout.addWidget(self.curveTable, 1, 1) self.mainLayout.addWidget(self.actionsWidget, 2, 0, 1, 2) self.mainLayout.setColumnStretch(0, 1) else: self.mainLayout.addWidget(self.axesLabelsWidget, 0, 0) self.mainLayout.addWidget(self.curveTable, 1, 0) self.mainLayout.addWidget(self.plot, 2, 0) self.mainLayout.addWidget(self.actionsWidget, 3, 0) self.mainLayout.setRowStretch(1, 1) self.xLabelLine.editingFinished[()].connect(self._xLabelSlot) self.yLabelLine.editingFinished[()].connect(self._yLabelSlot) self.acceptButton.clicked.connect(self.accept) self.dismissButton.clicked.connect(self.reject) def exec_(self): self.plot.draw() if self.doNotShowAgain.isChecked(): return qt.QDialog.Accepted else: if self._lastGoodSize is not None: self.resize(self._lastGoodSize) return qt.QDialog.exec_(self) def accept(self): self._lastGoodSize = self.size() return qt.QDialog.accept(self) def _xLabelSlot(self): label = self.xLabelLine.text() if sys.version < '3.0': label = str(label) self.plot.setXLabel(label) self.plot.draw() def _yLabelSlot(self): label = self.yLabelLine.text() if sys.version < '3.0': label = str(label) self.plot.setYLabel(label) self.plot.draw() def setXLabel(self, label): self.xLabelLine.setText(label) self.plot.setXLabel(label) def setYLabel(self, label): self.yLabelLine.setText(label) self.plot.setYLabel(label) class QPyMcaMatplotlibSave(FigureCanvas): def __init__(self, parent=None, size = (7,3.5), dpi = 100, logx = False, logy = False, legends = True, bw = False): self.fig = Figure(figsize=size, dpi=dpi) #in inches FigureCanvas.__init__(self, self.fig) FigureCanvas.setSizePolicy(self, qt.QSizePolicy.Expanding, qt.QSizePolicy.Expanding) self.curveTable = None self.dpi=dpi ddict = {'logx':logx, 'logy': logy, 'legends':legends, 'bw':bw} self.ax=None self.curveList = [] self.curveDict = {} self.setParameters(ddict) #self.setBlackAndWhiteEnabled(bw) #self.setLogXEnabled(logx) #self.setLogYEnabled(logy) #self.setLegendsEnabled(legends) self.xmin = None self.xmax = None self.ymin = None self.ymax = None self.limitsSet = False def setCurveTable(self, table): self.curveTable = table self.curveTable.sigCurveTableSignal.connect(self.updateFromTable) def setParameters(self,kw): if 'bw' in kw: self.setBlackAndWhiteEnabled(kw['bw']) if 'logx' in kw: self.setLogXEnabled(kw['logx']) if 'logy' in kw: self.setLogYEnabled(kw['logy']) if 'legends' in kw: self.setLegendsEnabled(kw['legends']) self._dataCounter = 0 self.createAxes() def setBlackAndWhiteEnabled(self, flag): self._bw = flag if self._bw: self.colorList = ['k'] #only black self.styleList = ['-', ':', '-.', '--'] self.nColors = 1 else: self.colorList = colorlist self.styleList = ['-', '-.', ':'] self.nColors = len(colorlist) self._dataCounter = 0 self.nStyles = len(self.styleList) self.colorIndex = 0 self.styleIndex = 0 def setLogXEnabled(self, flag): self._logX = flag def setLogYEnabled(self, flag): self._logY = flag def setLegendsEnabled(self, flag): self._legend = flag self._legendList = [] def createAxes(self): self.fig.clear() if self.ax is not None: self.ax.cla() if not self._legend: if self._logY: ax = self.fig.add_axes([.15, .15, .75, .8]) else: ax = self.fig.add_axes([.15, .15, .75, .75]) else: if self._logY: ax = self.fig.add_axes([.15, .15, .7, .8]) else: ax = self.fig.add_axes([.15, .15, .7, .8]) ax.set_axisbelow(True) self.ax = ax if self._logY: self._axFunction = ax.semilogy else: self._axFunction = ax.plot self._legendList=[] self.curveList = [] self.curveDict = {} def setLimits(self, xmin, xmax, ymin, ymax): self.xmin = xmin self.xmax = xmax self.ymin = ymin self.ymax = ymax self.limitsSet = True def _filterData(self, x, y): index = numpy.flatnonzero((self.xmin <= x) & (x <= self.xmax)&\ (self.ymin <= y) & (y <= self.ymax)) return index def _getColorAndStyle(self): color = self.colorList[self.colorIndex] style = self.styleList[self.styleIndex] self.colorIndex += 1 if self.colorIndex >= self.nColors: self.colorIndex = 0 self.styleIndex += 1 if self.styleIndex >= self.nStyles: self.styleIndex = 0 return color, style def addDataToPlot(self, x, y, legend = None, color = None, linewidth = None, linestyle = None, marker=None, alias = None,**kw): if self.limitsSet is not None: n = self._filterData(x, y) if not len(n): return #x = x[n] #y = y[n] n = max(x.shape) if n == 0: #nothing to plot if DEBUG: print("nothing to plot") return style = None if color is None: color, style = self._getColorAndStyle() if linestyle is None: if style is None: style = '-' else: style = linestyle if marker is None: marker = '' if linewidth is None:linewidth = 1.0 self._axFunction( x, y, linestyle = style, color=color, linewidth = linewidth, **kw) self._dataCounter += 1 if legend is None: #legend = "%02d" % self._dataCounter #01, 02, 03, ... legend = "%c" % (96+self._dataCounter) #a, b, c, .. self._legendList.append(legend) if legend not in self.curveList: self.curveList.append(legend) self.curveDict[legend] = {} self.curveDict[legend]['x'] = x self.curveDict[legend]['y'] = y self.curveDict[legend]['linestyle'] = style self.curveDict[legend]['color'] = color self.curveDict[legend]['linewidth'] = linewidth self.curveDict[legend]['linemarker'] = marker if alias is not None: self.curveDict[legend]['alias'] = alias self._legendList[-1] = alias if self.curveTable is not None: self.curveTable.setCurveListAndDict(self.curveList, self.curveDict) def setXLabel(self, label): self.ax.set_xlabel(label) def setYLabel(self, label): self.ax.set_ylabel(label) def setTitle(self, title): self.ax.set_title(title) def plotLegends(self, legendlist=None): if not self._legend:return if legendlist is None: legendlist = self._legendList if not len(legendlist):return loc = (1.01, 0.0) labelsep = 0.015 drawframe = True fontproperties = FontProperties(size=10) if len(legendlist) > 14: drawframe = False if matplotlib_version < '0.99.0': fontproperties = FontProperties(size=8) loc = (1.05, -0.2) else: if len(legendlist) < 18: #drawframe = True loc = (1.01, 0.0) elif len(legendlist) < 25: loc = (1.05, 0.0) fontproperties = FontProperties(size=8) elif len(legendlist) < 28: loc = (1.05, 0.0) fontproperties = FontProperties(size=6) else: loc = (1.05, -0.1) fontproperties = FontProperties(size=6) if matplotlib_version < '0.99.0': legend = self.ax.legend(legendlist, loc = loc, prop = fontproperties, labelsep = labelsep, pad = 0.15) else: legend = self.ax.legend(legendlist, loc = loc, prop = fontproperties, labelspacing = labelsep, borderpad = 0.15) legend.draw_frame(drawframe) def draw(self): if self.limitsSet: self.ax.set_xlim(self.xmin, self.xmax) self.ax.set_ylim(self.ymin, self.ymax) FigureCanvas.draw(self) def updateFromTable(self, ddict): #for line2D in self.ax.lines: # #label = line2D.get_label() # #if label == legend: # line2D.remove() xlabel = self.ax.get_xlabel() ylabel = self.ax.get_ylabel() if self.limitsSet: xlim = self.ax.get_xlim() ylim = self.ax.get_ylim() self.ax.cla() self.ax.set_xlabel(xlabel) self.ax.set_ylabel(ylabel) if self.limitsSet: self.ax.set_xlim(xlim) self.ax.set_ylim(ylim) legendList = [] curvelist = ddict['curvelist'] for legend in curvelist: if not ddict['curvedict'][legend]['plot']: continue x = self.curveDict[legend]['x'] y = self.curveDict[legend]['y'] alias = ddict['curvedict'][legend]['alias'] linestyle = self.curveDict[legend]['linestyle'] if 0: color = self.curveDict[legend]['color'] else: color = ddict['curvedict'][legend]['color'] linewidth = self.curveDict[legend]['linewidth'] linestyle = ddict['curvedict'][legend]['linestyle'] linemarker = ddict['curvedict'][legend]['linemarker'] if linestyle in ['None', '']: linestyle = '' if linemarker in ['None', '']: linemarker = '' self._axFunction( x, y, linestyle=linestyle, marker=linemarker, color=color, linewidth=linewidth) legendList.append(alias) if self._legend: self.plotLegends(legendList) self.draw() def saveFile(self, filename, format=None): if format is None: format = filename[-3:] if format.upper() not in ['EPS', 'PNG', 'SVG']: raise "Unknown format %s" % format if os.path.exists(filename): os.remove(filename) if self.limitsSet: self.ax.set_ylim(self.ymin, self.ymax) self.ax.set_xlim(self.xmin, self.xmax) #self.plotLegends() self.print_figure(filename, dpi=self.dpi) return if __name__ == "__main__": app = qt.QApplication([]) w0=QPyMcaMatplotlibSaveDialog(legends=True) w=w0.plot x = numpy.arange(1200.) w.setLimits(0, 1200., 0, 12000.) if len(sys.argv) > 2: n = int(sys.argv[2]) else: n = 14 for i in range(n): y = x * i w.addDataToPlot(x, y, legend="%d" % i) #w.setTitle('title') w0.setXLabel('Channel') w0.setYLabel('Counts') w.plotLegends() ret = w0.exec_() if ret: w.saveFile("filename.png") print("Plot filename.png saved") w.setParameters({'logy':True, 'bw':True}) for i in range(n): y = x * i + 1 w.addDataToPlot(x,y, legend="%d" % i) #w.setTitle('title') w.setXLabel('Channel') w.setYLabel('Counts') w.plotLegends() ret = w0.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/RGBCorrelator.py0000644000276300001750000002043713136054446021645 0ustar solebliss00000000000000#!/usr/bin/env python #/*########################################################################## # Copyright (C) 2004-2015 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os import numpy from PyMca5.PyMcaGui.pymca import RGBCorrelatorWidget qt = RGBCorrelatorWidget.qt if hasattr(qt, 'QString'): QString = qt.QString else: QString = str from PyMca5.PyMcaGui import RGBCorrelatorGraph from PyMca5.PyMcaGui import QPyMcaMatplotlibSave USE_MASK_WIDGET = False if USE_MASK_WIDGET: from PyMca5.PyMcaGui import MaskImageWidget MATPLOTLIB = True class RGBCorrelator(qt.QWidget): sigRGBCorrelatorSignal = qt.pyqtSignal(object) def __init__(self, parent = None, graph = None, bgrx = True): qt.QWidget.__init__(self, parent) self.setWindowTitle("PyMca RGB Correlator") self.setWindowIcon(qt.QIcon(qt.QPixmap(RGBCorrelatorGraph.IconDict['gioconda16']))) self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(6) self.splitter = qt.QSplitter(self) self.splitter.setOrientation(qt.Qt.Horizontal) self.controller = RGBCorrelatorWidget.RGBCorrelatorWidget(self.splitter) self._y1AxisInverted = False self._imageBuffer = None self._matplotlibSaveImage = None standaloneSaving = True if graph is None: if MATPLOTLIB: standaloneSaving = False if USE_MASK_WIDGET: self.graphWidgetContainer = MaskImageWidget.MaskImageWidget(self.splitter, selection=True, imageicons=True, standalonesave=standaloneSaving, profileselection=False, polygon=True) self.graphWidget = self.graphWidgetContainer.graphWidget else: self.graphWidget = RGBCorrelatorGraph.RGBCorrelatorGraph(self.splitter, standalonesave=standaloneSaving) if not standaloneSaving: self.graphWidget.saveToolButton.clicked.connect( \ self._saveToolButtonSignal) self._saveMenu = qt.QMenu() self._saveMenu.addAction(QString("Standard"), self.graphWidget._saveIconSignal) self._saveMenu.addAction(QString("Matplotlib") , self._saveMatplotlibImage) self.graph = self.graphWidget.graph #add flip Icon self.graphWidget.hFlipToolButton.clicked.connect( \ self._hFlipIconSignal) self._handleGraph = True else: self.graph = graph self._handleGraph = False #self.splitter.setStretchFactor(0,1) #self.splitter.setStretchFactor(1,1) self.mainLayout.addWidget(self.splitter) self.reset = self.controller.reset self.addImage = self.controller.addImage self.removeImage = self.controller.removeImage self.addImageSlot = self.controller.addImageSlot self.removeImageSlot = self.controller.removeImageSlot self.replaceImageSlot = self.controller.replaceImageSlot self.setImageShape = self.controller.setImageShape self.update = self.controller.update self.transposeImages = self.controller.transposeImages self.controller.sigRGBCorrelatorWidgetSignal.connect( \ self.correlatorSignalSlot) def _hFlipIconSignal(self): if self._handleGraph: if self.graph.isYAxisInverted(): self.graph.invertYAxis(False) else: self.graph.invertYAxis(True) self.graph.replot() #this is not needed #self.controller.update() return def correlatorSignalSlot(self, ddict): if 'image' in ddict: # keep the image buffer as an array self._imageBuffer = ddict['image'] size = ddict['size'] self._imageBuffer.shape = size[1],size[0],4 self._imageBuffer[:,:,3] = 255 self.graph.addImage(self._imageBuffer) self.graph.replot() def _saveToolButtonSignal(self): self._saveMenu.exec_(self.cursor().pos()) def _saveMatplotlibImage(self): if self._matplotlibSaveImage is None: self._matplotlibSaveImage = QPyMcaMatplotlibSave.SaveImageSetup(None, None) self._matplotlibSaveImage.setWindowTitle("Matplotlib RGBCorrelator") #Qt is BGR while the others are RGB ... # This is not any longer a problem because we do not use PyQwt self._matplotlibSaveImage.setPixmapImage(self._imageBuffer, bgr=False) self._matplotlibSaveImage.show() self._matplotlibSaveImage.raise_() def closeEvent(self, event): ddict = {} ddict['event'] = "RGBCorrelatorClosed" ddict['id'] = id(self) self.controller.close() if self._matplotlibSaveImage is not None: self._matplotlibSaveImage.close() self.sigRGBCorrelatorSignal.emit(ddict) qt.QWidget.closeEvent(self, event) def show(self): if self.controller.isHidden(): self.controller.show() qt.QWidget.show(self) def test(): app = qt.QApplication([]) app.lastWindowClosed.connect(app.quit) if 0: graphWidget = RGBCorrelatorGraph.RGBCorrelatorGraph() graph = graphWidget.graph w = RGBCorrelator(graph=graph) else: w = RGBCorrelator() w.resize(800, 600) import getopt options='' longoptions=[] opts, args = getopt.getopt( sys.argv[1:], options, longoptions) for opt,arg in opts: pass filelist=args if len(filelist): try: import DataSource DataReader = DataSource.DataSource except: import EdfFileDataSource DataReader = EdfFileDataSource.EdfFileDataSource for fname in filelist: source = DataReader(fname) for key in source.getSourceInfo()['KeyList']: dataObject = source.getDataObject(key) w.addImage(dataObject.data, os.path.basename(fname)+" "+key) else: print("This is a just test method using 100 x 100 matrices.") print("Run PyMcaPostBatch to have file loading capabilities.") array1 = numpy.arange(10000) array2 = numpy.resize(numpy.arange(10000), (100, 100)) array2 = numpy.transpose(array2) array3 = array1 * 1 w.addImage(array1) w.addImage(array2) w.addImage(array3) w.setImageShape([100, 100]) w.show() app.exec_() if __name__ == "__main__": test() PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/StackROIWindow.py0000644000276300001750000001573513136054446022012 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import numpy from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaGui import ExternalImagesWindow MaskImageWidget = ExternalImagesWindow.MaskImageWidget from PyMca5.PyMcaMath.PyMcaSciPy.signal import median medfilt2d = median.medfilt2d from PyMca5.PyMcaGui import IconDict class MedianParameters(qt.QWidget): def __init__(self, parent=None): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QHBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) self.label = qt.QLabel(self) self.label.setText("Median filter width: ") self.widthSpin = qt.QSpinBox(self) self.widthSpin.setMinimum(1) self.widthSpin.setMaximum(99) self.widthSpin.setValue(1) self.widthSpin.setSingleStep(2) self.mainLayout.addWidget(self.label) self.mainLayout.addWidget(self.widthSpin) class StackROIWindow(ExternalImagesWindow.ExternalImagesWindow): def __init__(self, *var, **kw): original = kw['standalonesave'] kw['standalonesave'] = False ExternalImagesWindow.ExternalImagesWindow.__init__(self, *var, **kw) standalonesave = original if standalonesave: MaskImageWidget.MaskImageWidget.buildStandaloneSaveMenu(self) self.backgroundIcon = qt.QIcon(qt.QPixmap(IconDict["subtract"])) infotext = 'Toggle background image subtraction from current image\n' infotext += 'No action if no background image available.' self.backgroundIcon = qt.QIcon(qt.QPixmap(IconDict["subtract"])) self.backgroundButton = self.graphWidget._addToolButton(\ self.backgroundIcon, self.subtractBackground, infotext, toggle = True, state = False, position = 6) self.buildAndConnectImageButtonBox() self._toggleSelectionMode() self._medianParameters = {'use':True, 'row_width':1, 'column_width':1} self._medianParametersWidget = MedianParameters(self) self._medianParametersWidget.widthSpin.setValue(1) self.layout().addWidget(self._medianParametersWidget) self._medianParametersWidget.widthSpin.valueChanged[int].connect( \ self.setKernelWidth) def setKernelWidth(self, value): kernelSize = numpy.asarray(value) if len(kernelSize.shape) == 0: kernelSize = [kernelSize.item()] * 2 self._medianParameters['row_width'] = kernelSize[0] self._medianParameters['column_width'] = kernelSize[1] self._medianParametersWidget.widthSpin.setValue(int(kernelSize[0])) current = self.slider.value() self.showImage(current, moveslider=False) def subtractBackground(self): current = self.slider.value() self.showImage(current, moveslider=False) def showImage(self, index=0, moveslider=True): if self.imageList is None: return if len(self.imageList) == 0: return backgroundIndex = None if self.backgroundButton.isChecked(): if self.imageNames is not None: i = -1 for imageName in self.imageNames: i += 1 if imageName.lower().endswith('background'): backgroundIndex = i break mfText = self._medianTitle() if backgroundIndex is None: if self.imageNames is None: self.graphWidget.graph.setGraphTitle(mfText+"Image %d" % index) else: self.graphWidget.graph.setGraphTitle(mfText+self.imageNames[index]) self.setImageData(self.imageList[index]) else: # TODO: Should the channel at max. and channel at min. be # recalculated? if self.imageNames is None: self.graphWidget.graph.setGraphTitle(mfText+"Image %d Net" % index) else: self.graphWidget.graph.setGraphTitle(mfText+self.imageNames[index]+ " Net") self.setImageData(self.imageList[index]-\ self.imageList[backgroundIndex]) if moveslider: self.slider.setValue(index) def _medianTitle(self): a = self._medianParameters['row_width'] b = self._medianParameters['column_width'] if max(a, b) > 1: return "MF(%d,%d) " % (a, b) else: return "" def setImageData(self, data, **kw): if self._medianParameters['use']: if max(self._medianParameters['row_width'], self._medianParameters['column_width']) > 1: data = medfilt2d(data,[self._medianParameters['row_width'], self._medianParameters['column_width']]) ExternalImagesWindow.ExternalImagesWindow.setImageData(self, data, **kw) def saveImageList(self, filename=None, imagelist=None, labels=None): if imagelist is None: #only the seen image return MaskImageWidget.MaskImageWidget.saveImageList(self, filename=filename) return ExternalImagesWindow.ExternalImagesWindow.saveImageList(\ filename=filename, imagelist=imagelist, labels=labels) PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/PyMcaImageWindow.py0000644000276300001750000004700513136054446022342 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2017 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import numpy import time from PyMca5.PyMcaGui import IconDict from . import RGBImageCalculator qt = RGBImageCalculator.qt QTVERSION = qt.qVersion() from . import RGBCorrelator from PyMca5.PyMcaGui import FrameBrowser USE_BROWSER = True DEBUG = 0 class PyMcaImageWindow(RGBImageCalculator.RGBImageCalculator): def __init__(self, parent = None, name = "PyMca Image Window", correlator = None, scanwindow=None): RGBImageCalculator.RGBImageCalculator.__init__(self, parent, math = False, replace = True, scanwindow=scanwindow) self.setWindowTitle(name) self.correlator = correlator self.ownCorrelator = False #self.mathBox.hide() self.dataObjectsList = [] self.dataObjectsDict = {} self._plotEnabled = True self._externalWidget = None self.setDefaultColormap(2, logflag=True) if USE_BROWSER: self.slider = FrameBrowser.HorizontalSliderWithBrowser(self) else: self.slider = qt.QSlider(self) self.slider.setOrientation(qt.Qt.Horizontal) self.slider.setRange(0, 0) self.mainLayout.addWidget(self.slider) self.slider.valueChanged[int].connect(self._showImageSliderSlot) self.slider.hide() def _connectCorrelator(self): if self.correlator is None: self.ownCorrelator = True self.correlator = RGBCorrelator.RGBCorrelator() self.correlator.setWindowTitle("ImageWindow RGB Correlator") self.sigAddImageClicked.connect(self.correlator.addImageSlot) self.sigRemoveImageClicked.connect(self.correlator.removeImageSlot) self.sigReplaceImageClicked.connect( \ self.correlator.replaceImageSlot) def _addImageClicked(self): if self.correlator is None: self._connectCorrelator() if self._imageData is None: return if self._imageData == []: return if not RGBImageCalculator.RGBImageCalculator._addImageClicked(self): #if self.ownCorrelator: if self.correlator.isHidden(): self.correlator.show() def setDispatcher(self, w): w.sigAddSelection.connect(self._addSelection) w.sigRemoveSelection.connect(self._removeSelection) w.sigReplaceSelection.connect(self._replaceSelection) def _addSelection(self, selectionlist): if DEBUG: print("_addSelection(self, selectionlist)",selectionlist) if type(selectionlist) == type([]): sellist = selectionlist else: sellist = [selectionlist] for sel in sellist: self._xScale = None self._yScale = None source = sel['SourceName'] key = sel['Key'] legend = sel['legend'] #expected form sourcename + scan key #if not "scanselection" in sel: continue #if not sel["scanselection"]:continue #if len(key.split(".")) > 2: continue dataObject = sel['dataobject'] #only two-dimensional selections considered if dataObject.info.get("selectiontype", "1D") != "2D": continue if dataObject.data is None: # This is the SCAN regular mesh case if hasattr(dataObject, "y"): if dataObject.y is not None: dataObject.data = dataObject.y[0] data0 = dataObject.y[0] if len(data0.shape) == 1: #we have to figure out the shape ... if hasattr(dataObject, "x"): if len(dataObject.x) == 2: x0 = dataObject.x[0][:] x0.shape = -1 x1 = dataObject.x[1][:] x1.shape = -1 if abs(x0[1] - x0[0]) < 1.0e-6: nColumns = numpy.argmin(abs(x0-x0[0]) < 1.0e-6) nRows = x1.size / nColumns if nRows!= int(nRows): raise ValueError("2D Selection not understood") transpose = False self._yScale = x0[0], x0[nColumns] - x0[0] self._xScale = x1[0], x1[1] - x1[0] elif abs(x1[1] - x1[0]) < 1.0e-6: nRows = numpy.argmin(abs(x1-x1[0]) < 1.0e-6) nColumns = x0.size / nRows if nColumns != int(nColumns): raise ValueError("2D Selection not understood") transpose = True self._xScale = x0[0], x0[1] - x0[0] self._yScale = x1[0], x1[nRows] - x1[0] else: raise TypeError("2D Selection is not a regular mesh") dataObject.data = numpy.zeros((len(dataObject.y), int(nRows), int(nColumns)), data0.dtype) for yIndex in range(len(dataObject.y)): if transpose: tmpData = numpy.transpose(dataObject.y[yIndex])[:] else: tmpData = dataObject.y[yIndex][:] tmpData.shape = nRows, nColumns dataObject.data[yIndex] = tmpData else: print("Nothing to plot") elif hasattr(dataObject, "x") and (dataObject.x is not None): shape = dataObject.data.shape if len(dataObject.x) == 2: x0 = dataObject.x[0][:] x0.shape = -1 x1 = dataObject.x[1][:] x1.shape = -1 if abs(x0[1] - x0[0]) < 1.0e-6: nColumns = numpy.argmin(abs(x0-x0[0]) < 1.0e-6) nRows = x1.size / nColumns if nRows!= int(nRows): raise ValueError("2D Selection not understood") transpose = False self._yScale = x0[0], x0[nColumns] - x0[0] self._xScale = x1[0], x1[1] - x1[0] elif abs(x1[1] - x1[0]) < 1.0e-6: nRows = numpy.argmin(abs(x1-x1[0]) < 1.0e-6) nColumns = x0.size / nRows if nColumns != int(nColumns): raise ValueError("2D Selection not understood") transpose = True self._xScale = x0[0], x0[1] - x0[0] self._yScale = x1[0], x1[nRows] - x1[0] elif (len(x0) == shape[-2]) and (len(x1) == shape[-1]): self._xScale = x1[0], x1[1] - x1[0] self._yScale = x0[0], x0[1] - x0[0] elif (len(x0) == shape[-1]) and (len(x1) == shape[-2]): self._yScale = x1[0], x1[1] - x1[0] self._xScale = x0[0], x0[1] - x0[0] else: raise TypeError("2D Selection is not a regular mesh") self.dataObjectsList = [legend] self.dataObjectsDict = {legend:dataObject} shape = dataObject.data.shape if len(shape) == 2: self._nImages = 1 self._imageData = dataObject.data if hasattr(dataObject, 'm'): if dataObject.m is not None: for m in dataObject.m: if hasattr(m, "size"): if m.size == self._imageData.size: tmpView = m[:] tmpView.shape = shape self._imageData = self._imageData / tmpView.astype(numpy.float) else: #let numpy raise the appropriate error self._imageData = self._imageData / numpy.float(m) else: self._imageData = self._imageData / numpy.float(m) self.slider.hide() self.setName(legend) else: self._nImages = 1 for dimension in dataObject.data.shape[:-2]: self._nImages *= dimension #This is a problem for dynamic data #dataObject.data.shape = self._nImages, shape[-2], shape[-1] self._imageData = self._getImageDataFromSingleIndex(0) self.slider.setRange(0, self._nImages - 1) self.slider.setValue(0) self.slider.show() self.setName(legend+" 0") if self._plotEnabled: self.plotImage(True) def _getImageDataFromSingleIndex(self, index): legend = self.dataObjectsList[0] dataObject = self.dataObjectsDict[legend] shape = dataObject.data.shape if len(shape) == 2: if index > 0: raise IndexError("Only one image in stack") data = dataObject.data if hasattr(dataObject, 'm'): if dataObject.m is not None: #is a list for m in dataObject.m: data = data / numpy.float(m) return data if len(shape) == 3: data = dataObject.data[index:index+1,:,:] data.shape = data.shape[1:] if hasattr(dataObject, 'm'): if dataObject.m is not None: for m in dataObject.m: if hasattr(m, "size"): if m.size == data.size: tmpView = m[:] tmpView.shape = data.shape data = data / tmpView.astype(numpy.float) else: data = data / numpy.float(m) else: data = data / numpy.float(m) return data #I have to deduce the appropriate indices from the given index #always assuming C order acquisitionShape = dataObject.data.shape[:-2] if len(shape) == 4: j = index % acquisitionShape[-1] i = int(index/(acquisitionShape[-1]*acquisitionShape[-2])) data = dataObject.data[i, j] if hasattr(dataObject, 'm'): if dataObject.m is not None: for m in dataObject.m: if hasattr(m, "size"): if m.size == data.size: tmpView = m[:] tmpView.shape = data.shape data = data / tmpView.astype(numpy.float) else: data = data / numpy.float(m) else: data = data / numpy.float(m) return data raise IndexError("Unhandled dimension") def setPlotEnabled(self, value=True): self._plotEnabled = value if value: if self._imageData is not None: self.plotImage(True) else: self.graphWidget.graph.clear() pass def _removeSelection(self, selectionlist): if DEBUG: print("_removeSelection(self, selectionlist)",selectionlist) if type(selectionlist) == type([]): sellist = selectionlist else: sellist = [selectionlist] for sel in sellist: legend = sel['legend'] if legend in self.dataObjectsList: self.dataObjectsList = [] if legend in self.dataObjectsDict.keys(): self.dataObjectsDict = {} #For the time being I prefer to leave the last image plotted #self._imageData = 0 * self._imageData #self.plotImage(True) def _replaceSelection(self, selectionlist): if DEBUG: print("_replaceSelection(self, selectionlist)",selectionlist) current = self.slider.value() self._addSelection(selectionlist) if current < self._nImages: self.showImage(current, moveslider=False) else: self.showImage(0, moveslider=True) def closeEvent(self, event): if self.ownCorrelator: self.correlator.close() RGBImageCalculator.RGBImageCalculator.closeEvent(self, event) def _showImageSliderSlot(self, index): self.showImage(index, moveslider=False) def showImage(self, index=0, moveslider=True): legend = self.dataObjectsList[0] dataObject = self.dataObjectsDict[legend] self._imageData = self._getImageDataFromSingleIndex(index) self.plotImage(True) txt = "%s %d" % (legend, index) self.setName(txt) if moveslider: self.slider.setValue(index) def plotImage(self, update=True): self.graphWidget.setImageData(self._imageData, xScale=self._xScale, yScale=self._yScale) return self.graphWidget.plotImage(update=update) class TimerLoop: def __init__(self, function = None, period = 1000): self.__timer = qt.QTimer() if function is None: function = self.test self._function = function self.__setThread(function, period) #self._function = function def __setThread(self, function, period): self.__timer = qt.QTimer() self.__timer.timeout[()].connect(function) self.__timer.start(period) def test(self): print("Test function called") if __name__ == "__main__": from PyMca5 import DataObject import weakref import time def buildDataObject(arrayData): dataObject = DataObject.DataObject() dataObject.data = arrayData dataObject.info['selectiontype'] = "2D" dataObject.info['Key'] = id(dataObject) return dataObject def buildSelection(dataObject, name = "image_data0"): key = dataObject.info['Key'] def dataObjectDestroyed(ref, dataObjectKey=key): if DEBUG: print("dataObject distroyed key = %s" % key) dataObjectRef=weakref.proxy(dataObject, dataObjectDestroyed) selection = {} selection['SourceType'] = 'SPS' selection['SourceName'] = 'spec' selection['Key'] = name selection['legend'] = selection['SourceName'] + " "+ name selection['imageselection'] = True selection['dataobject'] = dataObjectRef return selection a = 1000 b = 1000 period = 1000 x1 = numpy.arange(a * b).astype(numpy.float) x1.shape= [a, b] x2 = numpy.transpose(x1) app = qt.QApplication([]) app.lastWindowClosed.connect(app.quit) if len(sys.argv) > 1:PYMCA=True else:PYMCA = False if PYMCA: from PyMca5.PyMcaGui import PyMcaMain w = PyMcaMain.PyMcaMain() w.show() else: w = PyMcaImageWindow() w.show() counter = 0 def function(period = period): global counter flag = counter % 6 if flag == 0: #add x1 print("Adding X1") dataObject = buildDataObject(x1) selection = buildSelection(dataObject, 'X1') if PYMCA: w.dispatcherAddSelectionSlot(selection) else: w._addSelection(selection) elif flag == 1: #add x2 print("Adding X2") dataObject = buildDataObject(x2) selection = buildSelection(dataObject, 'X2') if PYMCA: w.dispatcherAddSelectionSlot(selection) else: w._addSelection(selection) elif flag == 2: #add x1 print("Changing X1") dataObject = buildDataObject(x2) selection = buildSelection(dataObject, 'X1') if PYMCA: w.dispatcherAddSelectionSlot(selection) else: w._addSelection(selection) elif flag == 1: #add x2 print("Changing X2") dataObject = buildDataObject(x2) selection = buildSelection(dataObject, 'X1') if PYMCA: w.dispatcherAddSelectionSlot(selection) else: w._addSelection(selection) elif flag == 4: #replace x1 print("Replacing by new X1") dataObject = buildDataObject(x1-x2) selection = buildSelection(dataObject, 'X1') if PYMCA: w.dispatcherReplaceSelectionSlot(selection) else: w._replaceSelection(selection) else: #replace by x2 print("Replacing by new X2") dataObject = buildDataObject(x2-x1) selection = buildSelection(dataObject, 'X2') if PYMCA: w.dispatcherReplaceSelectionSlot(selection) else: w._replaceSelection(selection) counter += 1 loop = TimerLoop(function = function, period = period) sys.exit(app.exec_()) PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/McaCustomEvent.py0000644000276300001750000000422313136054446022066 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" from PyMca5.PyMcaGui import PyMcaQt as qt QTVERSION = qt.qVersion() if QTVERSION < '4.0': QT4 = False else: QT4 = True if QT4: MCAEVENT = qt.QEvent.User #MCAEVENT = 12345 class McaCustomEvent(qt.QEvent): def __init__(self, ddict={}): self.dict = ddict qt.QEvent.__init__(self, MCAEVENT) def type(self): return MCAEVENT else: #MCAEVENT = qt.QUserEvent + 1 MCAEVENT = 12345 class McaCustomEvent(qt.QCustomEvent): def __init__(self, dict={}): qt.QCustomEvent.__init__(self, MCAEVENT) self.dict = dict PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/ScanWindowInfoWidget.py0000644000276300001750000003610713136054446023233 0ustar solebliss00000000000000#!/usr/bin/env python #/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import numpy from PyMca5.PyMcaGui import PyMcaQt as qt QTVERSION = qt.qVersion() """ This module implements an info widget containing : - source name, scan name - h,k,l infos - peak, peak position - fwhm, center of fwhm - center of mass """ DEBUG=0 STATISTICS=1 class SpecArithmetic(object): """ This class tries to mimic SPEC operations. Correct peak positions and fwhm information have to be made via a fit. """ def search_peak(self, xdata, ydata): """ Search a peak and its position in arrays xdata ad ydata. Return three integer: - peak position - peak value - index of peak position in array xdata This result may accelerate the fwhm search. """ ydata = numpy.array(ydata, copy=False) ymax = ydata[numpy.isfinite(ydata)].max() idx = self.__give_index(ymax, ydata) return xdata[idx], ymax, idx def search_com(self, xdata,ydata): """ Return the center of mass in arrays xdata and ydata """ num = numpy.sum(xdata*ydata) denom = numpy.sum(ydata) if abs(denom) > 0: result = num/denom else: result = 0 return result def search_fwhm(self, xdata,ydata,peak=None,index=None): """ Search a fwhm and its center in arrays xdata and ydatas. If no fwhm is found, (0,0) is returned. peak and index which are coming from search_peak result, may accelerate calculation """ if peak is None or index is None: x,mypeak,index_peak = self.search_peak(xdata,ydata) else: mypeak = peak index_peak = index hm = mypeak/2 idx = index_peak try: while ydata[idx] >= hm: idx = idx-1 x0 = float(xdata[idx]) x1 = float(xdata[idx+1]) y0 = float(ydata[idx]) y1 = float(ydata[idx+1]) lhmx = (hm*(x1-x0) - (y0*x1)+(y1*x0)) / (y1-y0) except ZeroDivisionError: lhmx = 0 except IndexError: lhmx = xdata[0] idx = index_peak try: while ydata[idx] >= hm: idx = idx+1 x0 = float(xdata[idx-1]) x1 = float(xdata[idx]) y0 = float(ydata[idx-1]) y1 = float(ydata[idx]) uhmx = (hm*(x1-x0) - (y0*x1)+(y1*x0)) / (y1-y0) except ZeroDivisionError: uhmx = 0 except IndexError: uhmx = xdata[-1] FWHM = uhmx - lhmx CFWHM = (uhmx+lhmx)/2 return FWHM,CFWHM def __give_index(self, elem,array): """ Return the index of elem in array """ mylist = array.tolist() return mylist.index(elem) class HKL(qt.QWidget): def __init__(self, parent = None, h= "", k= "", l=""): qt.QWidget.__init__(self, parent) layout = qt.QHBoxLayout(self) layout.setContentsMargins(0, 0, 0, 0) layout.setSpacing(2) hlabel = qt.QLabel(self) hlabel.setText('H:') self.h = qt.QLineEdit(self) self.h.setReadOnly(True) width = self.h.fontMetrics().width('##.####') self.h.setFixedWidth(width) klabel = qt.QLabel(self) klabel.setText('K:') self.k = qt.QLineEdit(self) self.k.setReadOnly(True) self.k.setFixedWidth(width) llabel = qt.QLabel(self) llabel.setText('L:') self.l = qt.QLineEdit(self) self.l.setReadOnly(True) self.l.setFixedWidth(width) self.setHKL(h, k, l) layout.addWidget(hlabel) layout.addWidget(self.h) layout.addWidget(klabel) layout.addWidget(self.k) layout.addWidget(llabel) layout.addWidget(self.l) def setHKL(self, h="", k="", l=""): dformat = "%.4f" if type(h) == type (""): self.h.setText(h) else: self.h.setText(dformat % h) if type(k) == type (""): self.k.setText(k) else: self.k.setText(dformat % k) if type(l) == type (""): self.l.setText(l) else: self.l.setText(dformat % l) class GraphInfoWidget(qt.QWidget): def __init__(self, parent): qt.QWidget.__init__(self, parent) layout = qt.QGridLayout(self) layout.setContentsMargins(0, 0, 0, 0) layout.setSpacing(2) #peak peak = qt.QLabel(self) peak.setText("Peak: ") self.peak = qt.QLineEdit(self) self.peak.setReadOnly(True) hboxPeak = qt.QWidget(self) hboxPeak.l = qt.QHBoxLayout(hboxPeak) hboxPeak.l.setContentsMargins(0, 0, 0, 0) hboxPeak.l.setSpacing(0) peakAt = qt.QLabel(hboxPeak) peakAt.setText(" at:") self.peakAt = qt.QLineEdit(hboxPeak) self.peak.setReadOnly(True) hboxPeak.l.addWidget(peakAt) hboxPeak.l.addWidget(self.peakAt) #fwhm fwhm = qt.QLabel(self) fwhm.setText("Fwhm: ") self.fwhm = qt.QLineEdit(self) self.fwhm.setReadOnly(True) hboxFwhm = qt.QWidget(self) hboxFwhm.l = qt.QHBoxLayout(hboxFwhm) hboxFwhm.l.setContentsMargins(0, 0, 0, 0) hboxFwhm.l.setSpacing(0) fwhmAt = qt.QLabel(hboxFwhm) fwhmAt.setText(" at:") self.fwhmAt = qt.QLineEdit(hboxFwhm) self.fwhm.setReadOnly(True) hboxFwhm.l.addWidget(fwhmAt) hboxFwhm.l.addWidget(self.fwhmAt) #statistics #COM com = qt.QLabel(self) com.setText("COM:") self.com = qt.QLineEdit(self) self.com.setReadOnly(True) #mean mean = qt.QLabel(self) mean.setText("Mean:") self.mean = qt.QLineEdit(self) self.mean.setReadOnly(True) #STD std = qt.QLabel(self) std.setText("STD:") self.std = qt.QLineEdit(self) self.std.setReadOnly(True) #Max maximum = qt.QLabel(self) maximum.setText("Max:") self.maximum= qt.QLineEdit(self) self.maximum.setReadOnly(True) #mean minimum = qt.QLabel(self) minimum.setText("Min:") self.minimum= qt.QLineEdit(self) self.minimum.setReadOnly(True) #STD delta = qt.QLabel(self) delta.setText("Delta:") self.delta = qt.QLineEdit(self) self.delta.setReadOnly(True) layout.addWidget(peak, 0, 0) layout.addWidget(self.peak, 0, 1) layout.addWidget(hboxPeak, 0, 2) layout.addWidget(com, 0, 3) layout.addWidget(self.com, 0, 4) layout.addWidget(mean, 0, 5) layout.addWidget(self.mean, 0, 6) layout.addWidget(std, 0, 7) layout.addWidget(self.std, 0, 8) layout.addWidget(fwhm, 1, 0) layout.addWidget(self.fwhm, 1, 1) layout.addWidget(hboxFwhm, 1, 2) layout.addWidget(maximum, 1, 3) layout.addWidget(self.maximum, 1, 4) layout.addWidget(minimum, 1, 5) layout.addWidget(self.minimum, 1, 6) layout.addWidget(delta, 1, 7) layout.addWidget(self.delta, 1, 8) self.specArithmetic = SpecArithmetic() def updateFromDataObject(self, dataObject): ydata = numpy.ravel(dataObject.y[0]) ylen = len(ydata) if ylen: if dataObject.x is None: xdata = numpy.arange(ylen).astype(numpy.float) elif not len(dataObject.x): xdata = numpy.arange(ylen).astype(numpy.float) else: xdata = numpy.ravel(dataObject.x[0]) else: xdata = None self.updateFromXY(xdata, ydata) def updateFromXY(self, xdata, ydata): if len(ydata): peakpos,peak,myidx = self.specArithmetic.search_peak(xdata,ydata) com = self.specArithmetic.search_com(xdata,ydata) fwhm,cfwhm = self.specArithmetic.search_fwhm(xdata,ydata, peak=peak,index=myidx) ymax = max(ydata) ymin = min(ydata) ymean = sum(ydata) / len(ydata) if len(ydata) > 1: ystd = numpy.sqrt(sum((ydata-ymean)*(ydata-ymean))/len(ydata)) else: ystd = 0 delta = ymax - ymin fformat = "%.7g" peakpos = fformat % peakpos peak = fformat % peak myidx = "%d" % myidx com = fformat % com fwhm = fformat % fwhm cfwhm = fformat % cfwhm ymean = fformat % ymean ystd = fformat % ystd ymax = fformat % ymax ymin = fformat % ymin delta = fformat % delta else: peakpos = "----" peak = "----" myidx = "----" com = "----" fwhm = "----" cfwhm = "----" ymean = "----" ystd = "----" ymax = "----" ymin = "----" delta = "----" self.peak.setText(peak) self.peakAt.setText(peakpos) self.fwhm.setText(fwhm) self.fwhmAt.setText(cfwhm) self.com.setText(com) self.mean.setText(ymean) self.std.setText(ystd) self.minimum.setText(ymin) self.maximum.setText(ymax) self.delta.setText(delta) def getInfo(self): ddict={} ddict['peak'] = self.peak.text() ddict['peakat'] = self.peakAt.text() ddict['fwhm'] = self.fwhm.text() ddict['fwhmat'] = self.fwhmAt.text() ddict['com'] = self.com.text() ddict['mean'] = self.mean.text() ddict['std'] = self.std.text() ddict['min'] = self.minimum.text() ddict['max'] = self.maximum.text() ddict['delta'] = self.delta.text() return ddict class ScanInfoWidget(qt.QWidget): def __init__(self, parent = None): qt.QWidget.__init__(self, parent) layout = qt.QGridLayout(self) layout.setContentsMargins(0, 0, 0, 0) layout.setSpacing(2) #scan info hBox = qt.QWidget(self) hBoxLayout = qt.QHBoxLayout(hBox) hBoxLayout.setContentsMargins(0, 0, 0, 0) hBoxLayout.setSpacing(0) sourceLabel = qt.QLabel(hBox) sourceLabel.setText('Source:') self.sourceLabel = qt.QLineEdit(hBox) self.sourceLabel.setReadOnly(True) hBoxLayout.addWidget(sourceLabel) hBoxLayout.addWidget(self.sourceLabel) scanLabel = qt.QLabel(self) scanLabel.setText('Scan: ') self.scanLabel = qt.QLineEdit(self) self.scanLabel.setReadOnly(True) self.hkl = HKL(self) layout.addWidget(hBox, 0, 0, 1, 7) #layout.addWidget(self.sourceLabel, 0, 1)#, 1, 9) layout.addWidget(scanLabel, 1, 0) layout.addWidget(self.scanLabel, 1, 1) layout.addWidget(self.hkl, 1, 4, 1, 3) def updateFromDataObject(self, dataObject): info = dataObject.info source = info.get('SourceName', None) if source is None: self.sourceLabel.setText("") else: if type(source) == type(""): self.sourceLabel.setText(source) else: self.sourceLabel.setText(source[0]) scan = info.get('Header', None) if scan is None: scan = "" if "envdict" in info: scan = info["envdict"].get('title', "") self.scanLabel.setText(scan) else: self.scanLabel.setText(scan[0]) hkl = info.get('hkl', None) if hkl is None: self.hkl.setHKL("----", "----", "----") else: self.hkl.setHKL(*hkl) def getInfo(self): ddict = {} ddict['source'] = self.sourceLabel.text() ddict['scan'] = self.scanLabel.text() ddict['hkl'] = ["%s" % self.hkl.h.text(), "%s" % self.hkl.k.text(), "%s" % self.hkl.l.text()] return ddict class ScanWindowInfoWidget(qt.QWidget): def __init__(self, parent = None): qt.QWidget.__init__(self, parent) layout = qt.QVBoxLayout(self) layout.setContentsMargins(2, 2, 2, 2) layout.setSpacing(2) self.scanInfo = ScanInfoWidget(self) self.graphInfo = GraphInfoWidget(self) layout.addWidget(self.scanInfo) layout.addWidget(self.graphInfo) #print "hiding graph info" #self.graphInfo.hide() def updateFromDataObject(self, dataObject): self.scanInfo.updateFromDataObject(dataObject) self.graphInfo.updateFromDataObject(dataObject) def getInfo(self): ddict = {} ddict['scan'] = self.scanInfo.getInfo() ddict['graph'] = self.graphInfo.getInfo() return ddict def test(): app = qt.QApplication([]) w = ScanWindowInfoWidget() app.lastWindowClosed.connect(app.quit) """ winfo.grid(sticky='wesn') if STATISTICS: winfo.configure(h=65,k=45621,l=32132,peak=6666876, fwhm=0.2154,com=544, ymax=10.,ymin=4,ystd=1,ymean=5) else: winfo.configure(h=65,k=45621,l=32132,peak=6666876, fwhm=0.2154,com=544) """ w.show() app.exec_() if __name__ == '__main__': test() PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/ChangeLog.py0000644000276300001750000000471313136054446021024 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os from PyMca5 import PyMcaDataDir from PyMca5.PyMcaGui import PyMcaQt as qt class ChangeLog(qt.QTextDocument): def __init__(self, parent=None, textfile = None): qt.QTextDocument.__init__(self, parent) if textfile is not None: self.setTextFile(textfile) def setTextFile(self, textfile): if not os.path.exists(textfile): textfile = os.path.join(PyMcaDataDir.PYMCA_DATA_DIR, textfile) f = open(textfile) lines = f.readlines() f.close() text = "" for line in lines: text += "%s" % line self.setPlainText(text) def test(): app = qt.QApplication([]) w = qt.QTextEdit() if len(sys.argv) > 1: log = ChangeLog(textfile=sys.argv[-1]) else: log = ChangeLog(textfile='changelog.txt') w.setDocument(log) w.show() app.exec_() if __name__ == "__main__": test() PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/RGBCorrelatorSlider.py0000644000276300001750000001741513136054446023012 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" from PyMca5.PyMcaGui import DoubleSlider qt = DoubleSlider.qt QTVERSION = qt.qVersion() DEBUG = 0 class RGBCorrelatorSlider(qt.QWidget): sigRGBCorrelatorSliderSignal = qt.pyqtSignal(object) def __init__(self, parent = None, scale = False, autoscalelimits=None): qt.QWidget.__init__(self, parent) self.__emitSignals = True self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(0) self._buttonBox = qt.QWidget(self) self._buttonBoxLayout = qt.QGridLayout(self._buttonBox) self._buttonBoxLayout.setContentsMargins(0, 0, 0, 0) self._buttonBoxLayout.setSpacing(0) if autoscalelimits is None: self.fromA = 5.0 self.toB = 95.0 else: self.fromA = autoscalelimits[0] self.toB = autoscalelimits[1] if self.fromA > self.toB: self.fromA = autoscalelimits[1] self.toB = autoscalelimits[0] self.autoScaleButton = qt.QPushButton(self._buttonBox) self.autoScaleButton.setText("Autoscale") self.autoScaleFromAToBButton = qt.QPushButton(self._buttonBox) self.autoScaleFromAToBButton.setText("Autoscale %d-%d" % (int(self.fromA), int(self.toB))) self.autoScale90Button = qt.QPushButton(self._buttonBox) self.autoScale90Button.setText("Autoscale 0-90") self._buttonBoxLayout.addWidget(self.autoScaleButton, 0, 0) self._buttonBoxLayout.addWidget(self.autoScaleFromAToBButton, 0, 1) self._buttonBoxLayout.addWidget(self.autoScale90Button, 0, 2) self._gridBox = qt.QWidget(self) self._gridBoxLayout = qt.QGridLayout(self._gridBox) self._gridBoxLayout.setContentsMargins(0, 0, 0, 0) self._gridBoxLayout.setSpacing(0) redLabel = MyQLabel(self._gridBox, color = qt.Qt.red) redLabel.setText("RED") self.redSlider = DoubleSlider.DoubleSlider(self._gridBox) greenLabel = MyQLabel(self._gridBox, color = qt.Qt.green) greenLabel.setText("GREEN") self.greenSlider = DoubleSlider.DoubleSlider(self._gridBox) blueLabel = MyQLabel(self._gridBox, color = qt.Qt.blue) blueLabel.setText("BLUE") self.blueSlider = DoubleSlider.DoubleSlider(self._gridBox, scale = True) self._gridBoxLayout.addWidget(redLabel, 0, 0) self._gridBoxLayout.addWidget(self.redSlider, 0, 1) self._gridBoxLayout.addWidget(greenLabel, 1, 0) self._gridBoxLayout.addWidget(self.greenSlider, 1, 1) self._gridBoxLayout.addWidget(blueLabel, 2, 0) self._gridBoxLayout.addWidget(self.blueSlider, 2, 1) self.mainLayout.addWidget(self._buttonBox) self.mainLayout.addWidget(self._gridBox) self.redSlider.sigDoubleSliderValueChanged.connect(\ self._redSliderChanged) self.greenSlider.sigDoubleSliderValueChanged.connect(\ self._greenSliderChanged) self.blueSlider.sigDoubleSliderValueChanged.connect(\ self._blueSliderChanged) self.autoScaleButton.clicked.connect(self.autoScale) self.autoScaleFromAToBButton.clicked.connect(self.autoScaleFromAToB) self.autoScale90Button.clicked.connect(self.autoScale90) def autoScale(self): self.__emitSignals = False self.redSlider.setMinMax(0., 100.) self.greenSlider.setMinMax(0.0, 100.) self.blueSlider.setMinMax(0., 100.) self.__emitSignals = True self._allChangedSignal() def autoScaleFromAToB(self): self.__emitSignals = False self.redSlider.setMinMax( self.fromA, self.toB) self.greenSlider.setMinMax(self.fromA, self.toB) self.blueSlider.setMinMax(self.fromA, self.toB) self.__emitSignals = True self._allChangedSignal() def autoScale90(self): self.__emitSignals = False self.redSlider.setMinMax(0., 90.) self.greenSlider.setMinMax(0.0, 90.) self.blueSlider.setMinMax(0., 90.) self.__emitSignals = True self._allChangedSignal() def _allChangedSignal(self): ddict = {} ddict['event'] = "allChanged" ddict['red'] = self.redSlider.getMinMax() ddict['green'] = self.greenSlider.getMinMax() ddict['blue'] = self.blueSlider.getMinMax() self.sigRGBCorrelatorSliderSignal.emit(ddict) def _redSliderChanged(self, ddict): if DEBUG: print("RGBCorrelatorSlider._redSliderChanged()") if self.__emitSignals: ddict['event'] = "redChanged" self.sigRGBCorrelatorSliderSignal.emit(ddict) def _greenSliderChanged(self, ddict): if DEBUG: print("RGBCorrelatorSlider._greenSliderChanged()") if self.__emitSignals: ddict['event'] = "greenChanged" self.sigRGBCorrelatorSliderSignal.emit(ddict) def _blueSliderChanged(self, ddict): if DEBUG: print("RGBCorrelatorSlider._blueSliderChanged()") if self.__emitSignals: ddict['event'] = "blueChanged" self.sigRGBCorrelatorSliderSignal.emit(ddict) class MyQLabel(qt.QLabel): def __init__(self,parent=None,name=None,fl=0,bold=True, color= qt.Qt.red): qt.QLabel.__init__(self,parent) if qt.qVersion() <'4.0.0': self.color = color self.bold = bold else: palette = self.palette() role = self.foregroundRole() palette.setColor(role,color) self.setPalette(palette) self.font().setBold(bold) if qt.qVersion() < '4.0.0': def drawContents(self, painter): painter.font().setBold(self.bold) pal =self.palette() pal.setColor(qt.QColorGroup.Foreground,self.color) self.setPalette(pal) qt.QLabel.drawContents(self,painter) painter.font().setBold(0) def test(): app = qt.QApplication([]) app.lastWindowClosed.connect(app.quit) def slot(ddict): print("received dict = ", ddict) w = RGBCorrelatorSlider() w.sigRGBCorrelatorSliderSignal.connect(slot) w.show() app.exec_() if __name__ == "__main__": test() PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/XMCDWindow.py0000644000276300001750000023655613136054446021134 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2017 T. Rueter, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "Tonn Rueter - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import numpy, copy import sys from os.path import splitext, basename, dirname, exists, join as pathjoin from PyMca5.PyMcaGui import IconDict from PyMca5 import PyMcaDirs from PyMca5.PyMcaGui import PyMcaFileDialogs from PyMca5.PyMcaIO import ConfigDict from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaIO import specfilewrapper as specfile from PyMca5 import PyMcaDataDir from PyMca5.PyMcaGui import ScanWindow as sw if hasattr(qt, "QString"): QString = qt.QString QStringList = qt.QStringList else: QString = str QStringList = list DEBUG = 0 if DEBUG: numpy.set_printoptions(threshold=50) NEWLINE = '\n' class TreeWidgetItem(qt.QTreeWidgetItem): __legendColumn = 1 def __init__(self, parent, itemList): qt.QTreeWidgetItem.__init__(self, parent, itemList) def __lt__(self, other): col = self.treeWidget().sortColumn() val = self.text(col) valOther = other.text(col) if val == '---': ret = True elif col > self.__legendColumn: try: ret = (float(val) < float(valOther)) except ValueError: ret = qt.QTreeWidgetItem.__lt__(self, other) else: ret = qt.QTreeWidgetItem.__lt__(self, other) return ret class XMCDOptions(qt.QDialog): def __init__(self, parent, mList, full=True): qt.QDialog.__init__(self, parent) self.setWindowTitle('XLD/XMCD Options') self.setModal(True) self.motorList = mList self.saved = False # Buttons buttonOK = qt.QPushButton('OK') buttonOK.setToolTip('Accept the configuration') buttonCancel = qt.QPushButton('Cancel') buttonCancel.setToolTip('Return to XMCD Analysis\nwithout changes') if full: buttonSave = qt.QPushButton('Save') buttonSave.setToolTip('Save configuration to *.cfg-File') buttonLoad = qt.QPushButton('Load') buttonLoad.setToolTip('Load existing configuration from *.cfg-File') # OptionLists and ButtonGroups # GroupBox can be generated from self.getGroupBox normOpts = ['No &normalization', 'Normalize &after average', 'Normalize &before average'] xrangeOpts = ['&First curve in sequence', 'Active &curve', '&Use equidistant x-range'] # ButtonGroups normBG = qt.QButtonGroup(self) xrangeBG = qt.QButtonGroup(self) # ComboBoxes normMeth = qt.QComboBox() normMeth.addItems(['(y-min(y))/trapz(max(y)-min(y),x)', 'y/max(y)', '(y-min(y))/(max(y)-min(y))', '(y-min(y))/sum(max(y)-min(y))']) normMeth.setEnabled(False) self.optsDict = { 'normalization' : normBG, 'normalizationMethod' : normMeth, 'xrange' : xrangeBG } for idx in range(5): # key: motor0, motor1, ... key = 'motor%d'%idx tmp = qt.QComboBox() tmp.addItems(mList) self.optsDict[key] = tmp # Subdivide into GroupBoxes normGroupBox = self.getGroupBox('Normalization', normOpts, normBG) xrangeGroupBox = self.getGroupBox('Interpolation x-range', xrangeOpts, xrangeBG) motorGroupBox = qt.QGroupBox('Motors') # Layouts mainLayout = qt.QVBoxLayout() buttonLayout = qt.QHBoxLayout() normLayout = qt.QHBoxLayout() motorLayout = qt.QGridLayout() if full: buttonLayout.addWidget(buttonSave) buttonLayout.addWidget(buttonLoad) buttonLayout.addWidget(qt.HorizontalSpacer()) buttonLayout.addWidget(buttonOK) buttonLayout.addWidget(buttonCancel) normLayout.addWidget(qt.QLabel('Method:')) normLayout.addWidget(normMeth) for idx in range(5): label = qt.QLabel('Motor %d:'%(idx+1)) cbox = self.optsDict['motor%d'%idx] motorLayout.addWidget(label,idx,0) motorLayout.addWidget(cbox,idx,1) motorGroupBox.setLayout(motorLayout) normGroupBox.layout().addLayout(normLayout) mainLayout.addWidget(normGroupBox) mainLayout.addWidget(xrangeGroupBox) mainLayout.addWidget(motorGroupBox) mainLayout.addLayout(buttonLayout) self.setLayout(mainLayout) # Connects if full: buttonOK.clicked.connect(self.accept) else: buttonOK.clicked.connect(self._saveOptionsAndCloseSlot) buttonCancel.clicked.connect(self.close) if full: buttonSave.clicked.connect(self._saveOptionsSlot) buttonLoad.clicked.connect(self._loadOptionsSlot) # Keep normalization method selector disabled # when 'no normalization' selected normBG.button(0).toggled.connect(normMeth.setDisabled) def showEvent(self, event): # Plugin does not destroy Options Window when accepted # Reset self.saved manually self.saved = False qt.QDialog.showEvent(self, event) def updateMotorList(self, mList): for (key, obj) in self.optsDict.items(): if key.startswith('motor') and isinstance(obj, qt.QComboBox): curr = obj.currentText() obj.clear() obj.addItems(mList) idx = obj.findText(curr) if idx < 0: obj.setCurrentIndex(idx) else: # Motor not found in Motorlist, set to default obj.setCurrentIndex(idx) def getGroupBox(self, title, optionList, buttongroup=None): """ title : string optionList : List of strings buttongroup : qt.QButtonGroup Returns ------- GroupBox of QRadioButtons build from a given optionList. If buttongroup is specified, the buttons are organized in a QButtonGroup. """ first = True groupBox = qt.QGroupBox(title, None) gbLayout = qt.QVBoxLayout(None) gbLayout.addStretch(1) for (idx, radioText) in enumerate(optionList): radio = qt.QRadioButton(radioText) gbLayout.addWidget(radio) if buttongroup: buttongroup.addButton(radio, idx) if first: radio.setChecked(True) first = False groupBox.setLayout(gbLayout) return groupBox def normalizationMethod(self, ident): ret = None normDict = { 'toMaximum' : r'y/max(y)', 'offsetAndMaximum': r'(y-min(y))/(max(y)-min(y))', 'offsetAndCounts' : r'(y-min(y))/sum(max(y)-min(y))', 'offsetAndArea' : r'(y-min(y))/trapz(max(y)-min(y),x)' } for (name, eq) in normDict.items(): if ident == name: return eq if ident == eq: return name raise ValueError("'%s' not found.") def _saveOptionsAndCloseSlot(self): return self.saveOptionsAndClose() def saveOptionsAndClose(self): if not self.saved: if not self.saveOptions(): return self.accept() def _saveOptionsSlot(self): return self.saveOptions() def saveOptions(self, filename=None): saveDir = PyMcaDirs.outputDir filter = ['PyMca (*.cfg)'] if filename is None: try: filename = PyMcaFileDialogs.\ getFileList(parent=self, filetypelist=filter, message='Save XLD/XMCD Analysis Configuration', mode='SAVE', single=True)[0] except IndexError: # Returned list is empty return if DEBUG: print('saveOptions -- Filename: "%s"' % filename) if len(filename) == 0: self.saved = False return False if not str(filename).endswith('.cfg'): filename += '.cfg' confDict = ConfigDict.ConfigDict() tmp = self.getOptions() for (key, value) in tmp.items(): if key.startswith('Motor') and len(value) == 0: tmp[key] = 'None' confDict['XMCDOptions'] = tmp try: confDict.write(filename) except IOError: msg = qt.QMessageBox() msg.setWindowTitle('XLD/XMCD Options Error') msg.setText('Unable to write configuration to \'%s\''%filename) msg.exec_() self.saved = True return True def _loadOptionsSlot(self): return self.loadOptions() def loadOptions(self): openDir = PyMcaDirs.outputDir ffilter = 'PyMca (*.cfg)' filename = qt.QFileDialog.\ getOpenFileName(self, 'Load XLD/XMCD Analysis Configuration', openDir, ffilter) confDict = ConfigDict.ConfigDict() try: confDict.read(filename) except IOError: msg = qt.QMessageBox() msg.setTitle('XMCD Options Error') msg.setText('Unable to read configuration file \'%s\''%filename) return if 'XMCDOptions'not in confDict: return try: self.setOptions(confDict['XMCDOptions']) except ValueError as e: if DEBUG: print('loadOptions -- int conversion failed:',) print('Invalid value for option \'%s\'' % e) else: msg = qt.QMessageBox() msg.setWindowTitle('XMCD Options Error') msg.setText('Configuration file \'%s\' corruted' % filename) msg.exec_() return except KeyError as e: if DEBUG: print('loadOptions -- invalid identifier:',) print('option \'%s\' not found' % e) else: msg = qt.QMessageBox() msg.setWindowTitle('XMCD Options Error') msg.setText('Configuration file \'%s\' corruted' % filename) msg.exec_() return self.saved = True def getOptions(self): ddict = {} for (option, obj) in self.optsDict.items(): if isinstance(obj, qt.QButtonGroup): ddict[option] = obj.checkedId() elif isinstance(obj, qt.QComboBox): tmp = str(obj.currentText()) if option == 'normalizationMethod': tmp = self.normalizationMethod(tmp) if option.startswith('motor') and (not len(tmp)): tmp = 'None' ddict[option] = tmp else: ddict[option] = 'None' return ddict def getMotors(self): motors = sorted([key for key in self.optsDict.keys()\ if key.startswith('motor')]) return [str(self.optsDict[motor].currentText()) \ for motor in motors] def setOptions(self, ddict): for option in ddict.keys(): obj = self.optsDict[option] if isinstance(obj, qt.QComboBox): name = ddict[option] if option == 'normalizationMethod': name = self.normalizationMethod(name) if option.startswith('Motor') and name == 'None': name = '' idx = obj.findText(QString(name)) obj.setCurrentIndex(idx) elif isinstance(obj, qt.QButtonGroup): try: idx = int(ddict[option]) except ValueError: raise ValueError(option) button = self.optsDict[option].button(idx) if type(button) == type(qt.QRadioButton()): button.setChecked(True) class XMCDScanWindow(sw.ScanWindow): xmcdToolbarOptions = { 'logx': False, 'logy': False, 'flip': False, 'fit': False, 'roi': False, } plotModifiedSignal = qt.pyqtSignal() saveOptionsSignal = qt.pyqtSignal('QString') def __init__(self, origin, parent=None): """ :param origin: Plot window containing the data on which the analysis is performed :type origin: ScanWindow :param parent: Parent Widget, None per default :type parent: QWidget """ sw.ScanWindow.__init__(self, parent, name='XLD/XMCD Analysis', specfit=None, plugins=False, newplot=False, **self.xmcdToolbarOptions) if hasattr(self, 'pluginsIconFlag'): self.pluginsIconFlag = False self.plotWindow = origin if hasattr(self, 'scanWindowInfoWidget'): if self.scanWindowInfoWidget: self.scanWindowInfoWidget.hide() # Buttons to push spectra to main Window buttonWidget = qt.QWidget() buttonAdd = qt.QPushButton('Add', self) buttonAdd.setToolTip('Add active curve to main window') buttonReplace = qt.QPushButton('Replace', self) buttonReplace.setToolTip( 'Replace all curves in main window ' +'with active curve in analysis window') buttonAddAll = qt.QPushButton('Add all', self) buttonAddAll.setToolTip( 'Add all curves in analysis window ' +'to main window') buttonReplaceAll = qt.QPushButton('Replace all', self) buttonReplaceAll.setToolTip( 'Replace all curves in main window ' +'with all curves from analysis window') self.graphBottomLayout.addWidget(qt.HorizontalSpacer()) self.graphBottomLayout.addWidget(buttonAdd) self.graphBottomLayout.addWidget(buttonAddAll) self.graphBottomLayout.addWidget(buttonReplace) self.graphBottomLayout.addWidget(buttonReplaceAll) buttonAdd.clicked.connect(self.add) buttonReplace.clicked.connect(self.replace) buttonAddAll.clicked.connect(self.addAll) buttonReplaceAll.clicked.connect(self.replaceAll) # Copy spectra from origin self.selectionDict = {'A':[], 'B':[]} self.curvesDict = {} self.optsDict = { 'normAfterAvg' : False, 'normBeforeAvg' : False, 'useActive' : False, 'equidistant' : False, 'normalizationMethod' : self.NormOffsetAndArea } self.xRange = None # Keep track of Averages, XMCD and XAS curves by label self.avgA = None self.avgB = None self.xmcd = None self.xas = None if hasattr(self, '_buildLegendWidget'): self._buildLegendWidget() def sizeHint(self): if self.parent(): height = .5 * self.parent().height() else: height = self.height() return qt.QSize(self.width(), height) def processOptions(self, options): tmp = { 'equidistant': False, 'useActive': False, 'normAfterAvg': False, 'normBeforeAvg': False, 'normalizationMethod': None } xRange = options['xrange'] normalization = options['normalization'] normMethod = options['normalizationMethod'] # xRange Options. Default: Use first scan if xRange == 1: tmp['useActive'] = True elif xRange == 2: tmp['equidistant'] = True # Normalization Options. Default: No Normalization if normalization == 1: tmp['normAfterAvg'] = True elif normalization == 2: tmp['normBeforeAvg'] = True # Normalization Method. Default: offsetAndArea tmp['normalizationMethod'] = self.setNormalizationMethod(normMethod) # Trigger reclaculation self.optsDict = tmp groupA = self.selectionDict['A'] groupB = self.selectionDict['B'] self.processSelection(groupA, groupB) def setNormalizationMethod(self, fname): if fname == 'toMaximum': func = self.NormToMaximum elif fname == 'offsetAndMaximum': func = self.NormToOffsetAndMaximum elif fname == 'offsetAndCounts': func = self.NormOffsetAndCounts else: func = self.NormOffsetAndArea return func def NormToMaximum(self,x,y): ymax = numpy.max(y) ynorm = y/ymax return ynorm def NormToOffsetAndMaximum(self,x,y): ynorm = y - numpy.min(y) ymax = numpy.max(ynorm) ynorm /= ymax return ynorm def NormOffsetAndCounts(self, x, y): ynorm = y - numpy.min(y) ymax = numpy.sum(ynorm) ynorm /= ymax return ynorm def NormOffsetAndArea(self, x, y): ynorm = y - numpy.min(y) ymax = numpy.trapz(ynorm, x) ynorm /= ymax return ynorm def interpXRange(self, xRange=None, equidistant=False, xRangeList=None): """ Input ----- :param xRange : x-range on which all curves are interpolated if set to none, the first curve in xRangeList is used :type xRange: ndarray :param equidistant : Determines equidistant xrange on which all curves are interpolated xRangeList : List List of ndarray from which the overlap is determined. If set to none, self.curvesDict is used. Determines the interpolation x-range used for XMCD Analysis specified by the provided parameters. The interpolation x-range is limited by the maximal overlap between the curves present in the plot window. Returns ------- out : numpy array x-range between xmin and xmax containing n points """ if not xRangeList: # Default xRangeList: curvesDict sorted for legends keys = sorted(self.curvesDict.keys()) xRangeList = [self.curvesDict[k].x[0] for k in keys] if not len(xRangeList): if DEBUG: print('interpXRange -- Nothing to do') return None num = 0 xmin, xmax = self.plotWindow.getGraphXLimits() for x in xRangeList: if x.min() > xmin: xmin = x.min() if x.max() < xmax: xmax = x.max() if xmin >= xmax: raise ValueError('No overlap between curves') pass if equidistant: for x in xRangeList: curr = numpy.nonzero((x >= xmin) & (x <= xmax))[0].size num = curr if curr>num else num # Exclude first and last point out = numpy.linspace(xmin, xmax, num, endpoint=False)[1:] else: if xRange is not None: x = xRange else: x = xRangeList[0] # Ensure monotonically increasing x-range if not numpy.all(numpy.diff(x)>0.): mask = numpy.nonzero(numpy.diff(x)>0.)[0] x = numpy.take(x, mask) # Exclude the endpoints mask = numpy.nonzero((x > xmin) & (x < xmax))[0] out = numpy.sort(numpy.take(x, mask)) if DEBUG: print('interpXRange -- Resulting xrange:') print('\tmin = %f' % out.min()) print('\tmax = %f' % out.max()) print('\tnum = %f' % len(out)) return out def processSelection(self, groupA, groupB): """ Input ----- groupA, groupB : Lists of strings Contain the legends of curves selected to Group A resp. B """ # Clear analysis window all = self.getAllCurves(just_legend=True) self.removeCurves(all) self.avgB, self.avgA = None, None self.xas, self.xmcd = None, None self.selectionDict['A'] = groupA[:] self.selectionDict['B'] = groupB[:] self.curvesDict = self.copyCurves(groupA + groupB) if (len(self.curvesDict) == 0) or\ ((len(self.selectionDict['A']) == 0) and\ (len(self.selectionDict['B']) == 0)): # Nothing to do return # Make sure to use active curve when specified if self.optsDict['useActive']: # Get active curve active = self.plotWindow.getActiveCurve() if active: if DEBUG: print('processSelection -- xrange: use active') x, y, leg, info = active[0:4] xRange = self.interpXRange(xRange=x) else: return elif self.optsDict['equidistant']: if DEBUG: print('processSelection -- xrange: use equidistant') xRange = self.interpXRange(equidistant=True) else: if DEBUG: print('processSelection -- xrange: use first') xRange = self.interpXRange() if hasattr(self.plotWindow, 'graph'): activeLegend = self.plotWindow.graph.getActiveCurve(justlegend=True) else: activeLegend = self.plotWindow.getActiveCurve(just_legend=True) if (not activeLegend) or (activeLegend not in self.curvesDict.keys()): # Use first curve in the series as xrange activeLegend = sorted(self.curvesDict.keys())[0] active = self.curvesDict[activeLegend] xlabel, ylabel = self.extractLabels(active.info) # Calculate averages and add them to the plot normalization = self.optsDict['normalizationMethod'] normBefore = self.optsDict['normBeforeAvg'] normAfter = self.optsDict['normAfterAvg'] for idx in ['A','B']: sel = self.selectionDict[idx] if not len(sel): continue xvalList = [] yvalList = [] for legend in sel: tmp = self.curvesDict[legend] if normBefore: xVals = tmp.x[0] yVals = normalization(xVals, tmp.y[0]) else: xVals = tmp.x[0] yVals = tmp.y[0] xvalList.append(xVals) yvalList.append(yVals) avg_x, avg_y = self.specAverage(xvalList, yvalList, xRange) if normAfter: avg_y = normalization(avg_x, avg_y) avgName = 'avg_' + idx #info = {'xlabel': xlabel, 'ylabel': ylabel} info = {} if idx == 'A': #info.update({'plot_color':'red'}) color="red" else: #info.update({'plot_color':'blue'}) color="blue" self.addCurve(avg_x, avg_y, legend=avgName, info=info, xlabel=xlabel, ylabel=ylabel, color=color) if idx == 'A': self.avgA = self.dataObjectsList[-1] if idx == 'B': self.avgB = self.dataObjectsList[-1] if (self.avgA and self.avgB): self.performXMCD() self.performXAS() def copyCurves(self, selection): """ Input ----- selection : List Contains legends of curves to be processed Creates a deep copy of the curves present in the plot window. In order to avoid interpolation errors later on, it is ensured that the xranges of the data is strictly monotonically increasing. Returns ------- out : Dictionary Contains legends as keys and dataObjects as values. """ if not len(selection): return {} out = {} for legend in selection: tmp = self.plotWindow.dataObjectsDict.get(legend, None) if tmp: tmp = copy.deepcopy(tmp) xarr, yarr = tmp.x, tmp.y #if len(tmp.x) == len(tmp.y): xprocArr, yprocArr = [], [] for (x,y) in zip(xarr,yarr): # Sort idx = numpy.argsort(x, kind='mergesort') xproc = numpy.take(x, idx) yproc = numpy.take(y, idx) # Ravel, Increase xproc = xproc.ravel() idx = numpy.nonzero((xproc[1:] > xproc[:-1]))[0] xproc = numpy.take(xproc, idx) yproc = numpy.take(yproc, idx) xprocArr += [xproc] yprocArr += [yproc] tmp.x = xprocArr tmp.y = yprocArr out[legend] = tmp else: # TODO: Errorhandling, curve not found if DEBUG: print("copyCurves -- Retrieved none type curve") continue return out def specAverage(self, xarr, yarr, xRange=None): """ xarr : list List containing x-Values in 1-D numpy arrays yarr : list List containing y-Values in 1-D numpy arrays xRange : Numpy array x-Values used for interpolation. Must overlap with all arrays in xarr From the spectra given in xarr & yarr, the method determines the overlap in the x-range. For spectra with unequal x-ranges, the method interpolates all spectra on the values given in xRange and averages them. Returns ------- xnew, ynew : Numpy arrays or None Average spectrum. In case of invalid input, (None, None) tuple is returned. """ if (len(xarr) != len(yarr)) or\ (len(xarr) == 0) or (len(yarr) == 0): if DEBUG: print('specAverage -- invalid input!') print('Array lengths do not match or are 0') return None, None same = True if xRange is None: x0 = xarr[0] else: x0 = xRange for x in xarr: if len(x0) == len(x): if numpy.all(x0 == x): pass else: same = False break else: same = False break xsort = [] ysort = [] for (x,y) in zip(xarr, yarr): if numpy.all(numpy.diff(x) > 0.): # All values sorted xsort.append(x) ysort.append(y) else: # Sort values mask = numpy.argsort(x) xsort.append(x.take(mask)) ysort.append(y.take(mask)) if xRange is not None: xmin0 = xRange.min() xmax0 = xRange.max() else: xmin0 = xsort[0][0] xmax0 = xsort[0][-1] if (not same) or (xRange is None): # Determine global xmin0 & xmax0 for x in xsort: xmin = x.min() xmax = x.max() if xmin > xmin0: xmin0 = xmin if xmax < xmax0: xmax0 = xmax if xmax <= xmin: if DEBUG: print('specAverage -- ') print('No overlap between spectra!') return numpy.array([]), numpy.array([]) # Clip xRange to maximal overlap in spectra if xRange is None: xRange = xsort[0] mask = numpy.nonzero((xRange>=xmin0) & (xRange<=xmax0))[0] xnew = numpy.take(xRange, mask) ynew = numpy.zeros(len(xnew)) # Perform average for (x, y) in zip(xsort, ysort): if same: ynew += y else: yinter = numpy.interp(xnew, x, y) ynew += numpy.asarray(yinter) num = len(yarr) ynew /= num return xnew, ynew def extractLabels(self, info): xlabel = 'X' ylabel = 'Y' sel = info.get('selection', None) labelNames = info.get('LabelNames',[]) if not len(labelNames): pass elif len(labelNames) == 2: [xlabel, ylabel] = labelNames elif sel: xsel = sel.get('x',[]) ysel = sel.get('y',[]) if len(xsel) > 0: x = xsel[0] xlabel = labelNames[x] if len(ysel) > 0: y = ysel[0] ylabel = labelNames[y] return xlabel, ylabel def performXAS(self): keys = self.dataObjectsDict.keys() if (self.avgA in keys) and (self.avgB in keys): a = self.dataObjectsDict[self.avgA] b = self.dataObjectsDict[self.avgB] else: if DEBUG: print('performXAS -- Data not found: ') print('\tavg_m = %f' % self.avgA) print('\tavg_p = %f' % self.avgB) return if numpy.all( a.x[0] == b.x[0] ): avg = .5*(b.y[0] + a.y[0]) else: if DEBUG: print('performXAS -- x ranges are not the same! ') print('Force interpolation') avg = self.performAverage([a.x[0], b.x[0]], [a.y[0], b.y[0]], b.x[0]) xmcdLegend = 'XAS' xlabel, ylabel = self.extractLabels(a.info) #info = {'xlabel': xlabel, 'ylabel': ylabel, 'plot_color': 'pink'} info = {} self.addCurve(a.x[0], avg, legend=xmcdLegend, info=info, xlabel=xlabel, ylabel=ylabel, color="pink") self.xas = self.dataObjectsList[-1] def performXMCD(self): keys = self.dataObjectsDict.keys() if (self.avgA in keys) and (self.avgB in keys): a = self.dataObjectsDict[self.avgA] b = self.dataObjectsDict[self.avgB] else: if DEBUG: print('performXMCD -- Data not found:') return if numpy.all( a.x[0] == b.x[0] ): diff = b.y[0] - a.y[0] else: if DEBUG: print('performXMCD -- x ranges are not the same! ') print('Force interpolation using p Average xrange') # Use performAverage d = 2 * avg(y1, -y2) # and force interpolation on p-xrange diff = 2. * self.performAverage([a.x[0], b.x[0]], [-a.y[0], b.y[0]], b.x[0]) xmcdLegend = 'XMCD' xlabel, ylabel = self.extractLabels(a.info) #info = {'xlabel': xlabel, 'ylabel': ylabel, 'plot_yaxis': 'right', 'plot_color': 'green'} info={} self.addCurve(b.x[0], diff, legend=xmcdLegend, info=info, color="green", xlabel=xlabel, ylabel=ylabel, yaxis="right") # DELETE ME self.graph.mapToY2(' '.join([xmcdLegend, ylabel])) self._zoomReset() self.xmcd = self.dataObjectsList[-1] def selectionInfo(self, idx, key): """ Convenience function to retrieve values from the info dictionaries of the curves stored selectionDict. """ sel = self.selectionDict[idx] ret = '%s: '%idx for legend in sel: curr = self.curvesDict[legend] value = curr.info.get(key, None) if value: ret = ' '.join([ret, value]) return ret def _saveIconSignal(self): saveDir = PyMcaDirs.outputDir filter = 'spec File (*.spec);;Any File (*.*)' try: (filelist, append, comment) = getSaveFileName(parent=self, caption='Save XMCD Analysis', filter=filter, directory=saveDir) filename = filelist[0] except IndexError: # Returned list is empty return except ValueError: # Returned list is empty return if append: specf = specfile.Specfile(filename) scanno = specf.scanno() + 1 else: scanno = 1 ext = splitext(filename)[1] if not len(ext): ext = '.spec' filename += ext try: if append: sepFile = splitext(basename(filename)) sepFileName = sepFile[0] + '_%.2d'%scanno + sepFile[1] sepFileName = pathjoin(dirname(filename),sepFileName) if scanno == 2: # Case: Scan appended to file containing # a single scan. Make sure, that the first # scan is also written to seperate file and # the corresponding cfg-file is copied # 1. Create filename of first scan sepFirstFileName = sepFile[0] + '_01' + sepFile[1] sepFirstFileName = pathjoin(dirname(filename),sepFirstFileName) # 2. Guess filename of first config confname = sepFile[0] + '.cfg' confname = pathjoin(dirname(filename),confname) # 3. Create new filename of first config sepFirstConfName = sepFile[0] + '_01' + '.cfg' sepFirstConfName = pathjoin(dirname(filename),sepFirstConfName) # Copy contents firstSeperateFile = open(sepFirstFileName, 'wb') firstSeperateConf = open(sepFirstConfName, 'wb') filehandle = open(filename, 'rb') confhandle = open(confname, 'rb') firstFile = filehandle.read() firstConf = confhandle.read() firstSeperateFile.write(firstFile) firstSeperateConf.write(firstConf) firstSeperateFile.close() firstSeperateConf.close() filehandle = open(filename, 'ab') seperateFile = open(sepFileName, 'wb') else: filehandle = open(filename, 'wb') seperateFile = None except IOError: msg = qt.QMessageBox(text="Unable to open '%s'"%filename) msg.exec_() return title = '' legends = self.dataObjectsList tmpLegs = sorted(self.curvesDict.keys()) if len(tmpLegs) > 0: title += self.curvesDict[tmpLegs[0]].info.get('selectionlegend','') # Keep plots in the order they were added! curves = [self.dataObjectsDict[leg] for leg in legends] yVals = [curve.y[0] for curve in curves] # xrange is the same for every curve xVals = [curves[0].x[0]] else: yVals = [] xVals = [] outArray = numpy.vstack([xVals, yVals]).T if not len(outArray): ncols = 0 elif len(outArray.shape) > 1: ncols = outArray.shape[1] else: ncols = 1 delim = ' ' title = 'XMCD Analysis ' + title header = '#S %d %s'%(scanno,title) + NEWLINE header += ('#U00 Selected in Group ' +\ self.selectionInfo('A', 'Key') + NEWLINE) header += ('#U01 Selected in Group ' +\ self.selectionInfo('B', 'Key') + NEWLINE) # Write Comments if len(comment) > 0: header += ('#U02 User commentary:' + NEWLINE) lines = comment.splitlines()[:97] for (idx, line) in enumerate(lines): header += ('#U%.2d %s'%(idx+3, line) + NEWLINE) header += '#N %d'%ncols + NEWLINE if ext == '.spec': if hasattr(self, 'getGraphXLabel'): header += ('#L ' + self.getGraphXLabel() + ' ' + ' '.join(legends) + NEWLINE) else: header += ('#L ' + self.getGraphXTitle() + ' ' + ' '.join(legends) + NEWLINE) else: if hasattr(self, 'getGraphXLabel'): header += ('#L ' + self.getGraphXLabel() + ' ' + ' '.join(legends) + NEWLINE) else: header += ('#L ' + self.getGraphXTitle() + ' ' + delim.join(legends) + NEWLINE) for fh in [filehandle, seperateFile]: if fh is not None: if sys.version < "3.0": fh.write(bytes(NEWLINE)) fh.write(bytes(header)) for line in outArray: tmp = delim.join(['%f'%num for num in line]) fh.write(bytes(tmp + NEWLINE)) fh.write(bytes(NEWLINE)) else: fh.write(bytes(NEWLINE, 'ascii')) fh.write(bytes(header, 'ascii')) for line in outArray: tmp = delim.join(['%f'%num for num in line]) fh.write(bytes(tmp + NEWLINE, 'ascii')) fh.write(bytes(NEWLINE, 'ascii')) fh.close() # Emit saveOptionsSignal to save config file self.saveOptionsSignal.emit(splitext(filename)[0]) if seperateFile is not None: self.saveOptionsSignal.emit(splitext(sepFileName)[0]) def add(self): if len(self.dataObjectsList) == 0: return activeCurve = self.getActiveCurve() if activeCurve is None: return (xVal, yVal, legend, info) = activeCurve #if 'selectionlegend' in info: # newLegend = info['selectionlegend'] #elif 'operation' in info: # newLegend = (str(operation) + ' ' + self.title) #else: # newLegend = (legend + ' ' + self.title) newLegend = legend self.plotWindow.addCurve(xVal, yVal, legend=newLegend, info=info) self.plotModifiedSignal.emit() def addAll(self): for (xVal, yVal, legend, info) in self.getAllCurves(): #if 'selectionlegend' in info: # newLegend = info['selectionlegend'] #elif 'operation' in info: # newLegend = (str(operation) + ' ' + self.title) #else: # newLegend = (legend + ' ' + self.title) newLegend = legend self.plotWindow.addCurve(xVal, yVal, legend=newLegend, info=info) self.plotModifiedSignal.emit() def replace(self): if len(self.dataObjectsList) == 0: return activeCurve = self.getActiveCurve() if activeCurve is None: return (xVal, yVal, legend, info) = activeCurve if 'selectionlegend' in info: newLegend = info['selectionlegend'] elif 'operation' in info: newLegend = (str(info['operation']) + ' ' + self.title) else: newLegend = (legend + self.title) self.plotWindow.addCurve(xVal, yVal, legend=newLegend, info=info, replace=True) self.plotModifiedSignal.emit() def replaceAll(self): allCurves = self.getAllCurves() for (idx, (xVal, yVal, legend, info)) in enumerate(allCurves): if 'selectionlegend' in info: newLegend = info['selectionlegend'] elif 'operation' in info: newLegend = (str(info['operation']) + ' ' + self.title) else: newLegend = (legend + ' ' + self.title) if idx == 0: self.plotWindow.addCurve(xVal, yVal, legend=newLegend, info=info, replace=True) else: self.plotWindow.addCurve(xVal, yVal, legend=newLegend, info=info) self.plotModifiedSignal.emit() class XMCDMenu(qt.QMenu): def __init__(self, parent, title=None): qt.QMenu.__init__(self, parent) if title: self.setTitle(title) def setActionList(self, actionList, update=False): """ List functions has to have the form (functionName, function) Default is ('', function) """ if not update: self.clear() for (name, function) in actionList: if name == '$SEPARATOR': self.addSeparator() continue if name != '': fName = name else: fName = function.func_name act = qt.QAction(fName, self) # Force triggered() instead of triggered(bool) # to ensure proper interaction with default parameters act.triggered.connect(function) self.addAction(act) class XMCDTreeWidget(qt.QTreeWidget): __colGroup = 0 __colLegend = 1 __colScanNo = 2 __colCounter = 3 selectionModifiedSignal = qt.pyqtSignal() def __init__(self, parent, groups = ['B','A','D'], color=True): qt.QTreeWidget.__init__(self, parent) # Last identifier in groups is the ignore instruction self.groupList = groups self.actionList = [] self.contextMenu = qt.QMenu('Perform', self) self.color = color self.colorDict = { groups[0] : qt.QBrush(qt.QColor(220, 220, 255)), groups[1] : qt.QBrush(qt.QColor(255, 210, 210)), '': qt.QBrush(qt.QColor(255, 255, 255)) } def sizeHint(self): vscrollbar = self.verticalScrollBar() width = vscrollbar.width() for i in range(self.columnCount()): width += (2 + self.columnWidth(i)) return qt.QSize( width, 20*22) def setContextMenu(self, menu): self.contextMenu = menu def contextMenuEvent(self, event): if event.reason() == event.Mouse: pos = event.globalPos() item = self.itemAt(event.pos()) else: pos = None sel = self.selectedItems() if sel: item = sel[0] else: item = self.currentItem() if item is None: self.invisibleRootItem().child(0) if item is not None: itemrect = self.visualItemRect(item) portrect = self.viewport().rect() itemrect.setLeft(portrect.left()) itemrect.setWidth(portrect.width()) pos = self.mapToGlobal(itemrect.bottomLeft()) if pos is not None: self.contextMenu.popup(pos) event.accept() def invertSelection(self): root = self.invisibleRootItem() for i in range(root.childCount()): if root.child(i).isSelected(): root.child(i).setSelected(False) else: root.child(i).setSelected(True) def getColumn(self, ncol, selectedOnly=False, convertType=str): """ Returns items in tree column ncol and converts them to convertType. If the conversion fails, the default type is a python string. If selectedOnly is set to True, only the selected the items of selected rows are returned. """ out = [] convert = (convertType != str) if ncol > (self.columnCount()-1): if DEBUG: print('getColum -- Selected column out of bounds') raise IndexError("Selected column '%d' out of bounds" % ncol) return out if selectedOnly: sel = self.selectedItems() else: root = self.invisibleRootItem() sel = [root.child(i) for i in range(root.childCount())] for item in sel: tmp = str(item.text(ncol)) if convert: try: tmp = convertType(tmp) except (TypeError, ValueError): if convertType == float: tmp = float('NaN') else: if DEBUG: print('getColum -- Conversion failed!') raise TypeError out += [tmp] return out def build(self, items, headerLabels): """ (Re-) Builds the tree display headerLabels must be of type QStringList items must be of type [QStringList] (List of Lists) """ # Remember selection, then clear list sel = self.getColumn(self.__colLegend, True) self.clear() self.setHeaderLabels(headerLabels) for item in items: treeItem = TreeWidgetItem(self, item) if self.color: idx = str(treeItem.text(self.__colGroup)) for i in range(self.columnCount()): treeItem.setBackground(i, self.colorDict[idx]) if treeItem.text(self.__colLegend) in sel: treeItem.setSelected(True) def setSelectionAs(self, idx): """ Sets the items currently selected to the identifier given in idx. """ if idx not in self.groupList: raise ValueError('XMCDTreeWidget: invalid identifer \'%s\'' % idx) sel = self.selectedItems() if idx == self.groupList[-1]: # Last identifier in self.groupList # is the dummy identifier idx = '' for item in sel: item.setText(self.__colGroup, idx) if self.color: for i in range(self.columnCount()): item.setBackground(i, self.colorDict[idx]) self.selectionModifiedSignal.emit() def _setSelectionToSequenceSlot(self): """ Internal Slot to make sure there is no confusion with default arguments. """ return self.setSelectionToSequence() def setSelectionToSequence(self, seq=None, selectedOnly=False): """ Sets the group column (col 0) to seq. If sequence is None, a dialog window is shown. """ chk = True if selectedOnly: sel = self.selectedItems() else: root = self.invisibleRootItem() sel = [root.child(i) for i in range(root.childCount())] # Try to sort for scanNo #self.sortItems(self.__colLegend, qt.Qt.AscendingOrder) self.sortItems(self.__colScanNo, qt.Qt.AscendingOrder) if not seq: seq, chk = qt.QInputDialog.\ getText(None, 'Sequence Dialog', 'Valid identifiers are: ' + ', '.join(self.groupList), qt.QLineEdit.Normal, 'Enter sequence') seq = str(seq).upper() if not chk: return for idx in seq: if idx not in self.groupList: invalidMsg = qt.QMessageBox(None) invalidMsg.setText('Invalid identifier. Try again.') invalidMsg.setStandardButtons(qt.QMessageBox.Ok) invalidMsg.exec_() return if len(sel) != len(seq): # Assume pattern and repeat seq = seq * (len(sel)//len(seq) + 1) #invalidMsg = qt.QMessageBox(None) #invalidMsg.setText('Sequence length does not match item count.') #invalidMsg.setStandardButtons(qt.QMessageBox.Ok) #invalidMsg.exec_() for (idx, item) in zip(seq, sel): if idx == self.groupList[-1]: idx = '' item.setText(self.__colGroup, idx) if self.color: for i in range(self.columnCount()): item.setBackground(i, self.colorDict[idx]) self.selectionModifiedSignal.emit() def _clearSelectionSlot(self): """ Internal slot method. """ return self.clearSelection() def clearSelection(self, selectedOnly=True): """ Empties the groups column for the selected rows. """ if selectedOnly: sel = self.selectedItems() else: root = self.invisibleRootItem() sel = [root.child(i) for i in range(root.childCount())] for item in sel: item.setText(self.__colGroup,'') if self.color: for i in range(self.columnCount()): item.setBackground(i, self.colorDict['']) self.selectionModifiedSignal.emit() def getSelection(self): """ Returns dictionary with where the keys are the identifiers ('D', 'A', 'B') and the values are (sorted) lists containing legends to which the respective identifier is assigned to. """ out = dict((group, []) for group in self.groupList) root = self.invisibleRootItem() for i in range(root.childCount()): item = root.child(i) group = str(item.text(0)) legend = str(item.text(1)) #nCols = item.columnCount() #legend = str(item.text(nCols-1)) if len(group) == 0: group = self.groupList[-1] out[group] += [legend] for value in out.values(): value.sort() return out class XMCDWidget(qt.QWidget): toolbarOptions = { 'logx': False, 'logy': False, 'flip': False, 'fit': False } setSelectionSignal = qt.pyqtSignal(object, object) def __init__(self, parent, plotWindow, beamline, nSelectors = 5): """ Input ----- plotWindow : ScanWindow instance ScanWindow from which curves are passed for XLD/XMCD Analysis nSelectors : Int Number of columns show in the widget. Per default these are ... """ qt.QWidget.__init__(self, parent) self.setWindowIcon(qt.QIcon(qt.QPixmap(IconDict['peak']))) self.plotWindow = plotWindow self.legendList = [] self.motorsList = [] self.infoList = [] # Set self.plotWindow before calling self._setLists! self._setLists() self.motorNamesList = [''] + self._getAllMotorNames() self.motorNamesList.sort() self.numCurves = len(self.legendList) #self.cBoxList = [] self.analysisWindow = XMCDScanWindow(origin=plotWindow, parent=None) self.optsWindow = XMCDOptions(self, self.motorNamesList) helpFileName = pathjoin(PyMcaDataDir.PYMCA_DOC_DIR, "HTML", "XMCDInfotext.html") self.helpFileBrowser = qt.QTextBrowser() self.helpFileBrowser.setWindowTitle("XMCD Help") self.helpFileBrowser.setLineWrapMode(qt.QTextEdit.FixedPixelWidth) self.helpFileBrowser.setLineWrapColumnOrWidth(500) self.helpFileBrowser.resize(520,300) try: helpFileHandle = open(helpFileName) helpFileHTML = helpFileHandle.read() helpFileHandle.close() self.helpFileBrowser.setHtml(helpFileHTML) except IOError: if DEBUG: print('XMCDWindow -- init: Unable to read help file') self.helpFileBrowser = None self.selectionDict = {'D': [], 'B': [], 'A': []} self.setSizePolicy(qt.QSizePolicy.MinimumExpanding, qt.QSizePolicy.Expanding) self.setWindowTitle("XLD/XMCD Analysis") buttonOptions = qt.QPushButton('Options', self) buttonOptions.setToolTip( 'Set normalization and interpolation\n' +'method and motors shown') buttonInfo = qt.QPushButton('Info') buttonInfo.setToolTip( 'Shows a describtion of the plugins features\n' +'and gives instructions on how to use it') updatePixmap = qt.QPixmap(IconDict["reload"]) buttonUpdate = qt.QPushButton( qt.QIcon(updatePixmap), '', self) buttonUpdate.setIconSize(qt.QSize(21,21)) buttonUpdate.setToolTip( 'Update curves in XMCD Analysis\n' +'by checking the plot window') self.list = XMCDTreeWidget(self) labels = ['Group', 'Legend', 'S#','Counter']+\ (['']*nSelectors) ncols = len(labels) self.list.setColumnCount(ncols) self.list.setHeaderLabels(labels) self.list.setSortingEnabled(True) self.list.setSelectionMode( qt.QAbstractItemView.ExtendedSelection) listContextMenu = XMCDMenu(None) listContextMenu.setActionList( [('Perform analysis', self.triggerXMCD), ('$SEPARATOR', None), ('Set as A', self.setAsA), ('Set as B', self.setAsB), ('Enter sequence', self.list._setSelectionToSequenceSlot), ('Remove selection', self.list._clearSelectionSlot), ('$SEPARATOR', None), ('Invert selection', self.list.invertSelection), ('Remove curve(s)', self.removeCurve_)]) self.list.setContextMenu(listContextMenu) self.expCBox = qt.QComboBox(self) self.expCBox.setToolTip('Select configuration of predefined\n' +'experiment or configure new experiment') self.experimentsDict = { 'Generic Dichroism': { 'xrange': 0, 'normalization': 0, 'normalizationMethod': 'offsetAndArea', 'motor0': '', 'motor1': '', 'motor2': '', 'motor3': '', 'motor4': '' }, 'ID08: XMCD 9 Tesla Magnet': { 'xrange': 0, 'normalization': 0, 'normalizationMethod': 'offsetAndArea', 'motor0': 'phaseD', 'motor1': 'magnet', 'motor2': '', 'motor3': '', 'motor4': '' }, 'ID08: XMCD 5 Tesla Magnet': { 'xrange': 0, 'normalization': 0, 'normalizationMethod': 'offsetAndArea', 'motor0': 'PhaseD', 'motor1': 'oxPS', 'motor2': '', 'motor3': '', 'motor4': '' }, 'ID08: XLD 5 Tesla Magnet': { 'xrange': 0, 'normalization': 0, 'normalizationMethod': 'offsetAndArea', 'motor0': 'PhaseD', 'motor1': '', 'motor2': '', 'motor3': '', 'motor4': '' }, 'ID08: XLD 9 Tesla Magnet': { 'xrange': 0, 'normalization': 0, 'normalizationMethod': 'offsetAndArea', 'motor0': 'phaseD', 'motor1': '', 'motor2': '', 'motor3': '', 'motor4': '' }, 'ID12: XMCD (Flipper)': { 'xrange': 0, 'normalization': 0, 'normalizationMethod': 'offsetAndArea', 'motor0': 'BRUKER', 'motor1': 'OXFORD', 'motor2': 'CRYO', 'motor3': '', 'motor4': '' }, 'ID12: XMCD': { 'xrange': 0, 'normalization': 0, 'normalizationMethod': 'offsetAndArea', 'motor0': 'Phase', 'motor1': 'PhaseA', 'motor2': 'BRUKER', 'motor3': 'OXFORD', 'motor4': 'CRYO' }, 'ID12: XLD (quater wave plate)': { 'xrange': 0, 'normalization': 0, 'normalizationMethod': 'offsetAndArea', 'motor0': '', 'motor1': '', 'motor2': '', 'motor3': '', 'motor4': '' } } self.expCBox.addItems( ['Generic Dichroism', 'ID08: XLD 9 Tesla Magnet', 'ID08: XLD 5 Tesla Magnet', 'ID08: XMCD 9 Tesla Magnet', 'ID08: XMCD 5 Tesla Magnet', 'ID12: XLD (quater wave plate)', 'ID12: XMCD (Flipper)', 'ID12: XMCD', 'Add new configuration']) self.expCBox.insertSeparator(len(self.experimentsDict)) topLayout = qt.QHBoxLayout() topLayout.addWidget(buttonUpdate) topLayout.addWidget(buttonOptions) topLayout.addWidget(buttonInfo) topLayout.addWidget(qt.HorizontalSpacer(self)) topLayout.addWidget(self.expCBox) leftLayout = qt.QGridLayout() leftLayout.setContentsMargins(1, 1, 1, 1) leftLayout.setSpacing(2) leftLayout.addLayout(topLayout, 0, 0) leftLayout.addWidget(self.list, 1, 0) leftWidget = qt.QWidget(self) leftWidget.setLayout(leftLayout) self.analysisWindow.setSizePolicy(qt.QSizePolicy.Minimum, qt.QSizePolicy.Minimum) #self.splitter = qt.QSplitter(qt.Qt.Horizontal, self) self.splitter = qt.QSplitter(qt.Qt.Vertical, self) self.splitter.addWidget(leftWidget) self.splitter.addWidget(self.analysisWindow) stretch = int(leftWidget.width()) # If window size changes, only the scan window size changes self.splitter.setStretchFactor( self.splitter.indexOf(self.analysisWindow),1) mainLayout = qt.QVBoxLayout() mainLayout.setContentsMargins(0,0,0,0) mainLayout.addWidget(self.splitter) self.setLayout(mainLayout) # Shortcuts self.updateShortcut = qt.QShortcut(qt.QKeySequence('F5'), self) self.updateShortcut.activated.connect(self.updatePlots) self.optionsWindowShortcut = qt.QShortcut(qt.QKeySequence('Alt+O'), self) self.optionsWindowShortcut.activated.connect(self.showOptionsWindow) self.helpFileShortcut = qt.QShortcut(qt.QKeySequence('F1'), self) self.helpFileShortcut.activated.connect(self.showInfoWindow) self.expSelectorShortcut = qt.QShortcut(qt.QKeySequence('Tab'), self) self.expSelectorShortcut.activated.connect(self.activateExpCB) self.saveShortcut = qt.QShortcut(qt.QKeySequence('Ctrl+S'), self) self.saveShortcut.activated.connect(self.analysisWindow._saveIconSignal) # Connects self.expCBox.currentIndexChanged['QString'].connect(self.updateTree) self.expCBox.currentIndexChanged['QString'].connect(self.selectExperiment) self.list.selectionModifiedSignal.connect(self.updateSelectionDict) self.setSelectionSignal.connect(self.analysisWindow.processSelection) self.analysisWindow.saveOptionsSignal.connect(self.optsWindow.saveOptions) self.optsWindow.accepted.connect(self.updateTree) buttonUpdate.clicked.connect(self.updatePlots) buttonOptions.clicked.connect(self.showOptionsWindow) buttonInfo.clicked.connect(self.showInfoWindow) self.updateTree() self.list.sortByColumn(1, qt.Qt.AscendingOrder) def sizeHint(self): return self.list.sizeHint() + self.analysisWindow.sizeHint() def activateExpCB(self): self.expCBox.setFocus(qt.Qt.TabFocusReason) def addExperiment(self): exp, chk = qt.QInputDialog.\ getText(self, 'Configure new experiment', 'Enter experiment title', qt.QLineEdit.Normal, 'ID00: ') if chk and (not exp.isEmpty()): exp = str(exp) opts = XMCDOptions(self, self.motorNamesList, False) if opts.exec_(): self.experimentsDict[exp] = opts.getOptions() cBox = self.expCBox new = [cBox.itemText(i) for i in range(cBox.count())][0:-2] new += [exp] new.append('Add new configuration') cBox.clear() cBox.addItems(new) cBox.insertSeparator(len(new)-1) idx = cBox.findText([exp][0]) if idx < 0: cBox.setCurrentIndex(0) else: cBox.setCurrentIndex(idx) opts.destroy() idx = self.expCBox.findText(exp) if idx < 0: idx = 0 self.expCBox.setCurrentIndex(idx) def showOptionsWindow(self): if self.optsWindow.exec_(): options = self.optsWindow.getOptions() self.analysisWindow.processOptions(options) def showInfoWindow(self): if self.helpFileBrowser is None: msg = qt.QMessageBox() msg.setWindowTitle('XLD/XMCD Error') msg.setText('No help file found.') msg.exec_() return else: self.helpFileBrowser.show() self.helpFileBrowser.raise_() # Implement new assignment routines here BEGIN def selectExperiment(self, exp): exp = str(exp) if exp == 'Add new configuration': self.addExperiment() self.updateTree() elif exp in self.experimentsDict: try: # Sets motors 0 to 4 in optsWindow self.optsWindow.setOptions(self.experimentsDict[exp]) except ValueError: self.optsWindow.setOptions( self.experimentsDict['Generic Dichroism']) return # Get motor values from tree self.updateTree() values0 = numpy.array( self.list.getColumn(4, convertType=float)) values1 = numpy.array( self.list.getColumn(5, convertType=float)) values2 = numpy.array( self.list.getColumn(6, convertType=float)) values3 = numpy.array( self.list.getColumn(7, convertType=float)) values4 = numpy.array( self.list.getColumn(8, convertType=float)) # Determine p/m selection if exp.startswith('ID08: XLD'): values = values0 mask = numpy.where(numpy.isfinite(values))[0] minmax = values.take(mask) if len(minmax): vmin = minmax.min() vmax = minmax.max() vpivot = .5 * (vmax + vmin) else: vpivot = 0. values = numpy.array( [float('NaN')]*len(self.legendList)) elif exp.startswith('ID08: XMCD'): mask = numpy.where(numpy.isfinite(values0))[0] polarization = values0.take(mask) values1 = values1.take(mask) signMagnets = numpy.sign(values1) if len(polarization)==0: vpivot = 0. values = numpy.array( [float('NaN')]*len(self.legendList)) elif numpy.all(signMagnets>=0.) or\ numpy.all(signMagnets<=0.) or\ numpy.all(signMagnets==0.): vmin = polarization.min() vmax = polarization.max() vpivot = .5 * (vmax + vmin) values = polarization else: vpivot = 0. values = polarization * signMagnets elif exp.startswith('ID12: XLD (quater wave plate)'): # Extract counters from third column counters = self.list.getColumn(3, convertType=str) polarization = [] for counter in counters: # Relevant counters Ihor, Iver resp. Ihor0, Iver0, etc. if 'hor' in counter: pol = -1. elif 'ver' in counter: pol = 1. else: pol = float('nan') polarization += [pol] values = numpy.asarray(polarization, dtype=float) vpivot = 0. elif exp.startswith('ID12: XMCD (Flipper)'): # Extract counters from third column counters = self.list.getColumn(1, convertType=str) polarization = [] for counter in counters: # Relevant counters: Fminus/Fplus resp. Rminus/Rplus if 'minus' in counter: pol = 1. elif 'plus' in counter: pol = -1. else: pol = float('nan') polarization += [pol] magnets = values0 + values1 + values2 values = numpy.asarray(polarization, dtype=float)*\ magnets vpivot = 0. elif exp.startswith('ID12: XMCD'): # Sum over phases.. polarization = values0 + values1 # ..and magnets magnets = values2 + values3 + values4 signMagnets = numpy.sign(magnets) if numpy.all(signMagnets==0.): values = polarization else: values = numpy.sign(polarization)*\ numpy.sign(magnets) vpivot = 0. else: values = numpy.array([float('NaN')]*len(self.legendList)) vpivot = 0. # Sequence is generate according to values and vpivot seq = '' for x in values: if str(x) == 'nan': seq += 'D' elif x<vpivot: # Minus group seq += 'A' else: # Plus group seq += 'B' self.list.setSelectionToSequence(seq) # Implement new assignment routines here END def triggerXMCD(self): groupA = self.selectionDict['A'] groupB = self.selectionDict['B'] self.analysisWindow.processSelection(groupA, groupB) def removeCurve_(self): sel = self.list.getColumn(1, selectedOnly=True, convertType=str) for legend in sel: self.plotWindow.removeCurve(legend) for selection in self.selectionDict.values(): if legend in selection: selection.remove(legend) # Remove from XMCDScanWindow.curvesDict if legend in self.analysisWindow.curvesDict.keys(): del(self.analysisWindow.curvesDict[legend]) # Remove from XMCDScanWindow.selectionDict for selection in self.analysisWindow.selectionDict.values(): if legend in selection: selection.remove(legend) self.updatePlots() def updateSelectionDict(self): # Get selDict from self.list. It consists of tree items: # {GROUP0: LIST_OF_LEGENDS_IN_GROUP0, # GROUP1: LIST_OF_LEGENDS_IN_GROUP1, # GROUP2: LIST_OF_LEGENDS_IN_GROUP2} selDict = self.list.getSelection() # self.selectionDict -> Uses ScanNumbers instead of legends... newDict = {} for (idx, selList) in selDict.items(): if idx not in newDict.keys(): newDict[idx] = [] for legend in selList: newDict[idx] += [legend] self.selectionDict = newDict self.setSelectionSignal.emit(self.selectionDict['A'], self.selectionDict['B']) def updatePlots(self, newLegends = None, newMotorValues = None): # Check if curves in plotWindow changed.. curves = self.plotWindow.getAllCurves(just_legend=True) if curves == self.legendList: # ..if not, just replot to account for zoom self.triggerXMCD() return self._setLists() self.motorNamesList = [''] + self._getAllMotorNames() self.motorNamesList.sort() self.optsWindow.updateMotorList(self.motorNamesList) self.updateTree() experiment = str(self.expCBox.currentText()) if experiment != 'Generic Dichroism': self.selectExperiment(experiment) return def updateTree(self): mList = self.optsWindow.getMotors() labels = ["Group",'Legend','S#','Counter'] + mList items = [] for i in range(len(self.legendList)): # Loop through rows # Each row is represented by QStringList legend = self.legendList[i] values = self.motorsList[i] info = self.infoList[i] selection = '' # Determine Group from selectionDict for (idx, v) in self.selectionDict.items(): if (legend in v) and (idx != 'D'): selection = idx break # Add filename, scanNo, counter #sourceName = info.get('SourceName','') #if isinstance(sourceName,list): # filename = basename(sourceName[0]) #else: # filename = basename(sourceName) filename = legend scanNo = info.get('Key','') counter = info.get('ylabel',None) if counter is None: selDict = info.get('selection',{}) if len(selDict) == 0: counter = '' else: # When do multiple selections occur? try: yIdx = selDict['y'][0] cntList = selDict['cnt_list'] counter = cntList[yIdx] except Exception: counter = '' tmp = QStringList([selection, filename, scanNo, counter]) # Determine value for each motor for m in mList: if len(m) == 0: tmp.append('') else: tmp.append(str(values.get(m, '---'))) items.append(tmp) self.list.build(items, labels) for idx in range(self.list.columnCount()): self.list.resizeColumnToContents(idx) def setAsA(self): self.list.setSelectionAs('A') def setAsB(self): self.list.setSelectionAs('B') def _getAllMotorNames(self): names = [] for dic in self.motorsList: for key in dic.keys(): if key not in names: names.append(key) names.sort() return names def _convertInfoDictionary(self, infosList): ret = [] for info in infosList : motorNames = info.get('MotorNames', None) if motorNames is not None: if type(motorNames) == str: namesList = motorNames.split() elif type(motorNames) == list: namesList = motorNames else: namesList = [] else: namesList = [] motorValues = info.get('MotorValues', None) if motorNames is not None: if type(motorValues) == str: valuesList = motorValues.split() elif type(motorValues) == list: valuesList = motorValues else: valuesList = [] else: valuesList = [] if len(namesList) == len(valuesList): ret.append(dict(zip(namesList, valuesList))) else: print("Number of motors and values does not match!") return ret def _setLists(self): """ Curves retrieved from the main plot window using the Plugin1DBase getActiveCurve() resp. getAllCurves() member functions are tuple resp. a list of tuples containing x-data, y-data, legend and the info dictionary. _setLists splits these tuples into lists, thus setting the attributes self.legendList self.infoList self.motorsList """ if self.plotWindow is not None: curves = self.plotWindow.getAllCurves() else: if DEBUG: print('_setLists -- Set self.plotWindow before calling self._setLists') return # nCurves = len(curves) self.legendList = [leg for (xvals, yvals, leg, info) in curves] self.infoList = [info for (xvals, yvals, leg, info) in curves] # Try to recover the scan number from the legend, if not set # Requires additional import: #from re import search as regexpSearch #for ddict in self.infoList: # key = ddict.get('Key','') # if len(key)== 0: # selectionlegend = ddict['selectionlegend'] # match = regexpSearch(r'(?<= )\d{1,5}\.\d{1}',selectionlegend) # if match: # scanNo = match.group(0) # ddict['Key'] = scanNo self.motorsList = self._convertInfoDictionary(self.infoList) class XMCDFileDialog(qt.QFileDialog): def __init__(self, parent, caption, directory, filter): qt.QFileDialog.__init__(self, parent, caption, directory, filter) saveOptsGB = qt.QGroupBox('Save options', self) self.appendBox = qt.QCheckBox('Append to existing file', self) self.commentBox = qt.QTextEdit('Enter comment', self) mainLayout = self.layout() optsLayout = qt.QGridLayout() optsLayout.addWidget(self.appendBox, 0, 0) optsLayout.addWidget(self.commentBox, 1, 0) saveOptsGB.setLayout(optsLayout) mainLayout.addWidget(saveOptsGB, 4, 0, 1, 3) self.appendBox.stateChanged.connect(self.appendChecked) def appendChecked(self, state): if state == qt.Qt.Unchecked: self.setConfirmOverwrite(True) self.setFileMode(qt.QFileDialog.AnyFile) else: self.setConfirmOverwrite(False) self.setFileMode(qt.QFileDialog.ExistingFile) def getSaveFileName(parent, caption, directory, filter): dial = XMCDFileDialog(parent, caption, directory, filter) dial.setAcceptMode(qt.QFileDialog.AcceptSave) append = None comment = None files = [] if dial.exec_(): append = dial.appendBox.isChecked() comment = str(dial.commentBox.toPlainText()) if comment == 'Enter comment': comment = '' files = [qt.safe_str(fn) for fn in dial.selectedFiles()] return (files, append, comment) def main(): app = qt.QApplication([]) # Create dummy ScanWindow swin = sw.ScanWindow() info0 = {'xlabel': 'foo', 'ylabel': 'arb', 'MotorNames': 'oxPS PhaseA Phase BRUKER CRYO OXFORD', 'MotorValues': '1 -6.27247094 -3.11222732 6.34150808 -34.75892563 21.99607165'} info1 = {'MotorNames': 'PhaseD oxPS PhaseA Phase BRUKER CRYO OXFORD', 'MotorValues': '0.470746882688 0.25876374531 -0.18515967 -28.31216591 18.54513221 -28.09735532 -26.78833172'} info2 = {'MotorNames': 'PhaseD oxPS PhaseA Phase BRUKER CRYO OXFORD', 'MotorValues': '-9.45353059 -25.37448851 24.37665651 18.88048044 -0.26018745 2 0.901968648111 '} x = numpy.arange(100.,1100.) y0 = 10*x + 10000.*numpy.exp(-0.5*(x-500)**2/400) + 1500*numpy.random.random(1000.) y1 = 10*x + 10000.*numpy.exp(-0.5*(x-600)**2/400) + 1500*numpy.random.random(1000.) y2 = 10*x + 10000.*numpy.exp(-0.5*(x-400)**2/400) + 1500*numpy.random.random(1000.) swin.newCurve(x, y2, legend="Curve2", xlabel='ene_st2', ylabel='Ihor', info=info2, replot=False, replace=False) swin.newCurve(x, y0, legend="Curve0", xlabel='ene_st0', ylabel='Iver', info=info0, replot=False, replace=False) swin.newCurve(x, y1, legend="Curve1", xlabel='ene_st1', ylabel='Ihor', info=info1, replot=False, replace=False) # info['Key'] is overwritten when using newCurve swin.dataObjectsDict['Curve2 Ihor'].info['Key'] = '1.1' swin.dataObjectsDict['Curve0 Iver'].info['Key'] = '34.1' swin.dataObjectsDict['Curve1 Ihor'].info['Key'] = '123.1' w = XMCDWidget(None, swin, 'ID08', nSelectors = 5) w.show() # helpFileBrowser = qt.QTextBrowser() # helpFileBrowser.setLineWrapMode(qt.QTextEdit.FixedPixelWidth) # helpFileBrowser.setLineWrapColumnOrWidth(500) # helpFileBrowser.resize(520,400) # helpFileHandle = open('/home/truter/lab/XMCD_infotext.html') # helpFileHTML = helpFileHandle.read() # helpFileHandle.close() # helpFileBrowser.setHtml(helpFileHTML) # helpFileBrowser.show() app.exec_() if __name__ == '__main__': main() ��������������������������������������������������������������������������������������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/QHDF5Stack1D.py��������������������������������������������������0000644�0002763�0000175�00000006345�13136054446�021162� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # Copyright (C) 2004-2015 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaIO import HDF5Stack1D from PyMca5.PyMcaGui.pymca import QHDF5StackWizard DEBUG = 0 class QHDF5Stack1D(HDF5Stack1D.HDF5Stack1D): def __init__(self, filelist=None, selection=None, scanlist=None, dtype=None): if (filelist is None) or (selection is None): wizard = QHDF5StackWizard.QHDF5StackWizard() if filelist is not None: wizard.setFileList(filelist) wizard.setStartId(1) ret = wizard.exec_() if ret != qt.QDialog.Accepted: raise ValueError("Incomplete selection") filelist, selection, scanlist = wizard.getParameters() HDF5Stack1D.HDF5Stack1D.__init__(self, filelist, selection, scanlist=scanlist, dtype=dtype) def onBegin(self, nfiles): self.bars =qt.QWidget() self.bars.setWindowTitle("Reading progress") self.barsLayout = qt.QGridLayout(self.bars) self.barsLayout.setContentsMargins(2, 2, 2, 2) self.barsLayout.setSpacing(3) self.progressBar = qt.QProgressBar(self.bars) self.progressLabel = qt.QLabel(self.bars) self.progressLabel.setText('Mca Progress:') self.barsLayout.addWidget(self.progressLabel,0,0) self.barsLayout.addWidget(self.progressBar,0,1) self.progressBar.setMaximum(nfiles) self.progressBar.setValue(0) self.bars.show() def onProgress(self,index): self.progressBar.setValue(index) def onEnd(self): self.bars.hide() del self.bars �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/pymca/PyMca_help.py����������������������������������������������������0000644�0002763�0000175�00000005300�13136054446�021207� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # Copyright (C) 2004-2014 E. Papillon, V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "E. Papillon & V.A. Sole - ESRF Software Group" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" FileOpen= \ """ Click this button to open a <em>new file</em>.<br><br> You can also select the <b>Open</b> command from the <b>File</b> menu.""" FileSave= \ """Click this button to save the file you are editing.<br><br> You will be prompted for a filename.<br><br> You can also select the <b>Save</b> command from the <b>File</b> menu.""" SpecOpen= \ """<img source="spec"> Click this button to open a <em>new spec shared array</em>.<br><br> You can also select then <b>Open Spec</b> command from the <b>File</b> menu.""" FilePrint= \ """Click this button to print the file you are editing.<br><br> You can also select the <b>Print</b> command from the <b>File</b> menu.""" FullScreen= \ """<b>Maximize</b> current active window.<br> The window will occupy all application window. """ NoFullScreen= \ """Redisplay all windows using current window geometry.<br> Window geometry could be:<br> <b>Cascade</b>, <b>tile</b>, <b>tile horizontally</b> or <b>vertically</b> """ HelpDict= { "fileopen": FileOpen, "filesave": FileSave, "specopen": SpecOpen, "fileprint": FilePrint, "fullscreen": FullScreen, "nofullscreen": NoFullScreen, } ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/io/��������������������������������������������������������������������0000755�0002763�0000175�00000000000�13205526235�016111� 5����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/io/QSelectorWidget.py��������������������������������������������������0000644�0002763�0000175�00000006544�13136054446�021544� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys from PyMca5.PyMcaGui import PyMcaQt as qt QTVERSION = qt.qVersion() DEBUG = 0 class QSelectorWidget(qt.QWidget): def __init__(self, parent=None): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QVBoxLayout(self) self._build() self._buildActions() def _build(self): """ Method to be overwritten to build the main widget """ if DEBUG: print("_build():Method to be overwritten") pass def _buildActions(self): self.buttonBox = qt.QWidget(self) buttonBox = self.buttonBox self.buttonBoxLayout = qt.QHBoxLayout(buttonBox) self.addButton = qt.QPushButton(buttonBox) self.addButton.setText("ADD") self.removeButton = qt.QPushButton(buttonBox) self.removeButton.setText("REMOVE") self.replaceButton = qt.QPushButton(buttonBox) self.replaceButton.setText("REPLACE") self.buttonBoxLayout.addWidget(self.addButton) self.buttonBoxLayout.addWidget(self.removeButton) self.buttonBoxLayout.addWidget(self.replaceButton) self.mainLayout.addWidget(buttonBox) self.addButton.clicked.connect(self._addClickedSlot) self.removeButton.clicked.connect(self._removeClicked) self.replaceButton.clicked.connect(self._replaceClicked) def _addClickedSlot(self): self._addClicked() def _addClicked(self): if DEBUG: print("_addClicked()") def _removeClicked(self): if DEBUG: print("_removeClicked()") def _replaceClicked(self): if DEBUG: print( "_replaceClicked()") def test(): app = qt.QApplication([]) w = QSelectorWidget() w.show() app.lastWindowClosed.connect(app.quit) app.exec_() if __name__ == "__main__": test() ������������������������������������������������������������������������������������������������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/io/QSpecFileWidget.py��������������������������������������������������0000644�0002763�0000175�00000070202�13136054446�021446� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # Copyright (C) 2004-2014 E. Papillon, V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "E. Papillon, V.A. Sole - ESRF Software Group" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaGui.io import QSelectorWidget from PyMca5.PyMcaGui.io import SpecFileDataInfo from PyMca5.PyMcaGui.io import SpecFileCntTable OBJECT3D = SpecFileCntTable.OBJECT3D from PyMca5.PyMcaGui.io import SpecFileMcaTable QTVERSION = qt.qVersion() DEBUG = 0 if QTVERSION > '4.2.0': class MyQTreeWidgetItem(qt.QTreeWidgetItem): def __lt__(self, other): c = self.treeWidget().sortColumn() if c == 0: return False if c != 2: return (float(self.text(c)) < float(other.text(c))) return (self.text(c) < other.text(c)) else: MyQTreeWidgetItem = qt.QTreeWidgetItem #class QSpecFileWidget(qt.QWidget): class QSpecFileWidget(QSelectorWidget.QSelectorWidget): sigAddSelection = qt.pyqtSignal(object) sigRemoveSelection = qt.pyqtSignal(object) sigReplaceSelection = qt.pyqtSignal(object) sigOtherSignals = qt.pyqtSignal(object) sigScanSelection = qt.pyqtSignal(object) sigScanDoubleClicked = qt.pyqtSignal(object) def __init__(self, parent=None, autoreplace=False): self.autoReplace = autoreplace if self.autoReplace: self.autoAdd = False else: self.autoAdd = True self._oldCntSelection = None QSelectorWidget.QSelectorWidget.__init__(self, parent) self.dataInfoWidgetDict = {} def _build(self): #self.layout= qt.QVBoxLayout(self) self.splitter = qt.QSplitter(self) self.splitter.setOrientation(qt.Qt.Vertical) self.list = qt.QTreeWidget(self.splitter) self.list.setSelectionMode(qt.QAbstractItemView.ExtendedSelection) self.mainTab = qt.QTabWidget(self.splitter) self.cntTable = SpecFileCntTable.SpecFileCntTable() self.mcaTable = SpecFileMcaTable.SpecFileMcaTable() self.mainTab.addTab(self.cntTable, str("Counters")) self.mainTab.addTab(self.mcaTable, str("MCA")) self.mainTab.setCurrentWidget(self.mcaTable) autoBox = qt.QWidget(self) autoBoxLayout = qt.QGridLayout(autoBox) autoBoxLayout.setContentsMargins(0, 0, 0, 0) autoBoxLayout.setSpacing(0) self.autoOffBox = qt.QCheckBox(autoBox) self.autoOffBox.setText("Auto OFF") self.autoAddBox = qt.QCheckBox(autoBox) self.autoAddBox.setText("Auto ADD") self.autoReplaceBox = qt.QCheckBox(autoBox) self.autoReplaceBox.setText("Auto REPLACE") row = 0 autoBoxLayout.addWidget(self.autoOffBox, row, 0) autoBoxLayout.addWidget(self.autoAddBox, row, 1) autoBoxLayout.addWidget(self.autoReplaceBox, row, 2) if self.autoReplace: self.autoAddBox.setChecked(False) self.autoReplaceBox.setChecked(True) else: self.autoAddBox.setChecked(True) self.autoReplaceBox.setChecked(False) row += 1 if OBJECT3D: self.object3DBox = qt.QCheckBox(autoBox) self.object3DBox.setText("3D On") autoBoxLayout.addWidget(self.object3DBox, row, 0) self.mcaTable.sigMcaDeviceSelected.connect(self.mcaDeviceSelected) self.meshBox = qt.QCheckBox(autoBox) self.meshBox.setText("Mesh") self.meshBox.setToolTip("Consider selection as a regular mesh") autoBoxLayout.addWidget(self.meshBox, row, 1) self.forceMcaBox = qt.QCheckBox(autoBox) self.forceMcaBox.setText("Force MCA") autoBoxLayout.addWidget(self.forceMcaBox, row, 2) self.mainLayout.addWidget(self.splitter) self.mainLayout.addWidget(autoBox) # --- list headers labels = ["X", "S#", "Command", "Points", "Nb. Mca"] ncols = len(labels) self.list.setColumnCount(ncols) self.list.setHeaderLabels(labels) #size=50 #self.list.header().resizeSection(0, size) #self.list.header().resizeSection(1, size) #self.list.header().resizeSection(2, 4 * size) #self.list.header().resizeSection(3, size) #self.list.header().resizeSection(4, size) self.list.header().setStretchLastSection(False) if QTVERSION > '5.0.0': self.list.header().setSectionResizeMode(0, qt.QHeaderView.ResizeToContents) self.list.header().setSectionResizeMode(1, qt.QHeaderView.ResizeToContents) self.list.header().setSectionResizeMode(2, qt.QHeaderView.Interactive) self.list.header().setSectionResizeMode(3, qt.QHeaderView.ResizeToContents) self.list.header().setSectionResizeMode(4, qt.QHeaderView.ResizeToContents) elif QTVERSION < '4.2.0': self.list.header().setResizeMode(0, qt.QHeaderView.Stretch) self.list.header().setResizeMode(1, qt.QHeaderView.Stretch) self.list.header().setResizeMode(2, qt.QHeaderView.Interactive) self.list.header().setResizeMode(3, qt.QHeaderView.Stretch) self.list.header().setResizeMode(4, qt.QHeaderView.Stretch) else: self.list.header().setResizeMode(0, qt.QHeaderView.ResizeToContents) self.list.header().setResizeMode(1, qt.QHeaderView.ResizeToContents) self.list.header().setResizeMode(2, qt.QHeaderView.Interactive) self.list.header().setResizeMode(3, qt.QHeaderView.ResizeToContents) self.list.header().setResizeMode(4, qt.QHeaderView.ResizeToContents) # --- signal handling self.list.itemSelectionChanged.connect(self.__selectionChanged) self.list.setContextMenuPolicy(qt.Qt.CustomContextMenu) self.list.customContextMenuRequested.connect(self.__contextMenu) self.list.itemDoubleClicked[qt.QTreeWidgetItem, int].connect( \ self.__doubleClicked) self.cntTable.sigSpecFileCntTableSignal.connect(self._cntSignal) if QTVERSION > '4.2.0': self.list.setSortingEnabled(False) self.list.header().sectionDoubleClicked[int].connect( \ self.__headerSectionDoubleClicked) if OBJECT3D: self.object3DBox.clicked.connect(self._setObject3DBox) if hasattr(self, 'meshBox'): self.meshBox.clicked.connect(self._setMeshBox) self.autoOffBox.clicked.connect(self._setAutoOff) self.autoAddBox.clicked.connect(self._setAutoAdd) self.autoReplaceBox.clicked.connect(self._setAutoReplace) self.forceMcaBox.clicked.connect(self._setForcedMca) self.mainTab.currentChanged[int].connect(self._tabChanged) self.disableMca = 0 #(type=="scan") self.disableScan = 0 #(type=="mca") # --- context menu self.data= None self.scans= [] def _setObject3DBox(self): self.autoAddBox.setChecked(False) self.meshBox.setChecked(False) self.autoReplaceBox.setChecked(False) self.autoOffBox.setChecked(False) self.cntTable.set3DEnabled(True) self.object3DBox.setChecked(True) def _setMeshBox(self): self.autoAddBox.setChecked(False) self.autoReplaceBox.setChecked(False) self.autoOffBox.setChecked(False) self.cntTable.set2DEnabled(True) if hasattr(self, "object3DBox"): self.object3DBox.setChecked(False) self.meshBox.setChecked(True) def _setAutoOff(self): if OBJECT3D: self.cntTable.set3DEnabled(False) self.object3DBox.setChecked(False) if hasattr(self, "meshBox"): self.cntTable.set2DEnabled(False) self.meshBox.setChecked(False) self.autoAddBox.setChecked(False) self.autoReplaceBox.setChecked(False) self.autoOffBox.setChecked(True) def _setAutoAdd(self): if OBJECT3D: self.cntTable.set3DEnabled(False) self.object3DBox.setChecked(False) if hasattr(self, "meshBox"): self.meshBox.setChecked(False) self.cntTable.set2DEnabled(False) self.autoOffBox.setChecked(False) self.autoReplaceBox.setChecked(False) self.autoAddBox.setChecked(True) def _setAutoReplace(self): if OBJECT3D: self.cntTable.set3DEnabled(False) self.object3DBox.setChecked(False) if hasattr(self, "meshBox"): self.cntTable.set2DEnabled(False) self.meshBox.setChecked(False) self.autoOffBox.setChecked(False) self.autoAddBox.setChecked(False) self.autoReplaceBox.setChecked(True) def _setForcedMca(self): if self.forceMcaBox.isChecked(): if OBJECT3D: self.object3DBox.setChecked(False) self.object3DBox.setEnabled(False) if hasattr(self, "meshBox"): self.meshBox.setChecked(False) self.meshBox.setEnabled(False) else: if OBJECT3D: self.object3DBox.setEnabled(True) if hasattr(self, "meshBox"): self.meshBox.setEnabled(True) # # Data management # #NEW data management def setDataSource(self, datasource): if DEBUG: print("setDataSource(self, datasource) called") print("datasource = ", datasource) self.data = datasource self.refresh() if not self.autoAddBox.isChecked(): return #If there is only one mca containing scan # and we are in auto add mode, I plot it. if len(self.scans) == 1: item = self.list.itemAt(qt.QPoint(0,0)) if item is not None: item.setSelected(True) self.__selectionChanged() #OLD data management def setData(self, specfiledata): if DEBUG: print("setData(self, specfiledata) called") print("specfiledata = ",specfiledata) self.data= specfiledata self.refresh() def refresh(self): self.list.clear() if self.data is None: return try: if self.data.sourceName is None: return except: if self.data.SourceName is None: return try: #new info= self.data.getSourceInfo() except: #old if not hasattr(self.data, "GetSourceInfo"): raise info= self.data.GetSourceInfo() self.scans= [] after= None i = 0 for (sn, cmd, pts, mca) in zip(info["KeyList"], info["Commands"], info["NumPts"], info["NumMca"]): if after is not None: #print "after is not none" #item= qt.QTreeWidgetItem(self.list, [after, "", sn, cmd, str(pts), str(mca)]) item= MyQTreeWidgetItem(self.list, ["", sn, cmd, str(pts), str(mca)]) else: item= MyQTreeWidgetItem(self.list, ["", sn, cmd, str(pts), str(mca)]) if (self.disableMca and not mca) or (self.disableScan and not pts): item.setSelectable(0) #XXX: not possible to put in italic: other solutions ?? self.scans.append(sn) after= item i = i + 1 def clear(self): self.list.clear() self.data= None self.scans= [] def markScanSelected(self, scanlist): for sn in self.scans: item= self.list.findItem(sn, 1) if item is not None: if sn in scanlist: item.setText(0, "X") else: item.setText(0, "") def _autoReplace(self, scanlist=None): if DEBUG: print("autoreplace called with ",scanlist) if self.autoReplaceBox.isChecked(): self._replaceClicked() elif self.autoAddBox.isChecked(): self._addClicked() # # signal/slot handling # def _cntSignal(self, ddict): if ddict["event"] == "updated": itemlist = self.list.selectedItems() sel = [str(item.text(1)) for item in itemlist] self._autoReplace(sel) def __selectionChanged(self): if DEBUG: print("__selectionChanged") itemlist = self.list.selectedItems() sel = [str(item.text(1)) for item in itemlist] if DEBUG: print("selection = ",sel) if not len(sel): return info = self.data.getKeyInfo(sel[0]) self.mcaTable.build(info) if False: # This does not work properly yet # TODO: mca as function of other parameter NbMca = info.get('NbMcaDet', 0) self.cntTable.build(info['LabelNames'], nmca=NbMca) else: self.cntTable.build(info['LabelNames'], nmca=0) autoReplaceCall = True if (info['Lines'] > 0) and len(info['LabelNames']): if self._oldCntSelection is not None: if len(self._oldCntSelection['y']): self.cntTable.setCounterSelection(self._oldCntSelection) else: if len(self.cntTable.cntList): self.cntTable.setCounterSelection({'x':[0], 'y':[-1], 'cntlist':info['LabelNames']*1}) else: if len(self.cntTable.cntList): self.cntTable.setCounterSelection({'x':[0], 'y':[-1], 'cntlist':info['LabelNames']*1}) # That already emitted a signal, no need to repeat with # autoreplace autoReplaceCall = False # Emit this signal for the case someone else uses it ... self.sigScanSelection.emit((sel)) if (info['NbMca'] > 0) and (info['Lines'] > 0): pass elif (info['NbMca'] > 0) and (info['Lines'] == 0): self.mainTab.setCurrentWidget(self.mcaTable) elif (info['NbMca'] == 0) and (info['Lines'] > 0): self.mainTab.setCurrentWidget(self.cntTable) else: pass # Next call is needed to handle the direct opening of MCAs # when using a single scan, single mca file. if autoReplaceCall: self._autoReplace(sel) def __headerSectionDoubleClicked(self, index): if index == 0: return else: self.list.sortItems(index, qt.Qt.AscendingOrder) #print "index = ", index def __doubleClicked(self, item): if DEBUG: print("__doubleClicked") if item is not None: sn = str(item.text(1)) ddict={} ddict['Key'] = sn ddict['Command'] = str(item.text(2)) ddict['NbPoints'] = int(str(item.text(3))) ddict['NbMca'] = int(str(item.text(4))) self.sigScanDoubleClicked.emit(ddict) #shortcut selec + remove? #for the time being just add self._addClicked() def __contextMenu(self, point): if DEBUG: print("__contextMenu",point) item = self.list.itemAt(point) if item is not None: sn= str(item.text(1)) self.menu= qt.QMenu() self.menu.addAction("Show scan header", self.__showScanInfo) self.menu_idx = self.scans.index(sn) self.menu.popup(self.cursor().pos()) def mcaDeviceSelected(self, ddict): action, actiontype = ddict['action'].split() mca = ddict['mca'] + 1 sel_list = [] itemlist = self.list.selectedItems() scan_sel = [str(item.text(1)) for item in itemlist] for scan in scan_sel: sel = {} sel['SourceName'] = self.data.sourceName sel['SourceType'] = self.data.sourceType sel['Key'] = "%s.%d"% (scan, mca) #sel['selection'] = None sel['selection'] = {} if actiontype.upper() == "STACK": sel['selection']['selectiontype'] = "STACK" sel['imageselection'] = False else: sel['selection']['selectiontype'] = "2D" sel['imageselection'] = True sel['scanselection'] = False sel['mcaselection'] = False sel['legend'] = os.path.basename(sel['SourceName'][0]) +" "+ sel['Key'] sel_list.append(sel) if len(scan_sel): if action == 'ADD': self.sigAddSelection.emit(sel_list) elif action == 'REMOVE': self.sigRemoveSelection.emit(sel_list) elif action == 'REPLACE': self.sigReplaceSelection.emit(sel_list) def __showScanInfo(self, idx = None): if idx is None: if QTVERSION > '4.0.0': idx = self.menu_idx if DEBUG: print("Scan information:") try: info = self.data.getDataObject(self.scans[idx]).info except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) text = "Error: %s\n accessing scan information." % (sys.exc_info()[1]) msg.setText(text) msg.exec_() if DEBUG: raise return dataInfoWidget= SpecFileDataInfo.SpecFileDataInfo(info) if "Header" in info: if info['Header'] is not None: dataInfoWidget.setWindowTitle(info['Header'][0]) dataInfoWidget.show() wid = id(dataInfoWidget) self.dataInfoWidgetDict[wid] = dataInfoWidget dataInfoWidget.notifyCloseEventToWidget(self) def _dataInfoClosed(self, ddict): if ddict['event'] == "SpecFileDataInfoClosed": del self.dataInfoWidgetDict[ddict['id']] def customEvent(self, event): if hasattr(event, 'dict'): ddict = event.dict self._dataInfoClosed(ddict) def _addClicked(self, emit=True): if DEBUG: print("Overwritten _addClicked method") #get selected scan keys if QTVERSION < '4.0.0': scan_sel= [sn for sn in self.scans if self.list.findItem(sn,1).isSelected()] else: itemlist = self.list.selectedItems() scan_sel = [str(item.text(1)) for item in itemlist] #get selected counter keys cnt_sel = self.cntTable.getCounterSelection() if len(cnt_sel['cntlist']): if len(cnt_sel['y']): self._oldCntSelection = cnt_sel mca_sel = self.mcaTable.getCurrentlySelectedMca() sel_list = [] #build the appropriate selection for mca's for scan in scan_sel: for mca in mca_sel: sel = {} sel['SourceName'] = self.data.sourceName sel['SourceType'] = self.data.sourceType sel['Key'] = scan sel['Key'] += "."+mca sel['selection'] = None #for the future #sel['scanselection'] = False sel['legend'] = os.path.basename(sel['SourceName'][0]) +" "+ sel['Key'] sel_list.append(sel) if len(cnt_sel['cntlist']): if len(cnt_sel['y']): #if there is something to plot sel = {} sel['SourceName'] = self.data.sourceName sel['SourceType'] = self.data.sourceType sel['Key'] = scan sel['selection'] = {} if self.forceMcaBox.isChecked(): sel['scanselection'] = "MCA" else: sel['scanselection'] = True sel['selection']['x'] = cnt_sel['x'] if len(sel['selection']['x']) == 2: if self.meshBox.isChecked(): sel['selection']['selectiontype'] = "2D" sel['selection']['y'] = cnt_sel['y'] sel['selection']['m'] = cnt_sel['m'] sel['selection']['cntlist'] = cnt_sel['cntlist'] sel['legend'] = os.path.basename(sel['SourceName'][0]) +" "+ sel['Key'] if cnt_sel['y'][0] >= len(cnt_sel['cntlist']): if 'mcalist' in cnt_sel: sel['selection']['mcalist'] = cnt_sel['mcalist'] else: # I could rise the exception here # but I let the data source to rise it. pass sel_list.append(sel) if emit: if len(sel_list): self.sigAddSelection.emit(sel_list) else: return sel_list def currentSelectionList(self): return self._addClicked(emit=False) def _removeClicked(self): if DEBUG: print("Overwritten _removeClicked method") #get selected scan keys itemlist = self.list.selectedItems() scan_sel = [str(item.text(1)) for item in itemlist] #get selected counter keys cnt_sel = self.cntTable.getCounterSelection() mca_sel = self.mcaTable.getCurrentlySelectedMca() sel_list = [] #build the appropriate selection for mca's for scan in scan_sel: for mca in mca_sel: sel = {} sel['SourceName'] = self.data.sourceName sel['SourceType'] = self.data.sourceType sel['Key'] = scan sel['Key'] += "."+mca sel['selection'] = None #for the future #sel['scanselection'] = False sel['legend'] = os.path.basename(sel['SourceName'][0]) +" "+sel['Key'] sel_list.append(sel) if len(cnt_sel['cntlist']): if len(cnt_sel['y']): #if there is something to plot sel = {} sel['SourceName'] = self.data.sourceName sel['SourceType'] = self.data.sourceType sel['Key'] = scan sel['selection'] = {} if self.forceMcaBox.isChecked(): sel['scanselection'] = "MCA" else: sel['scanselection'] = True sel['selection']['x'] = cnt_sel['x'] if len(sel['selection']['x']) == 2: if self.meshBox.isChecked(): sel['selection']['selectiontype'] = "2D" sel['selection']['y'] = cnt_sel['y'] sel['selection']['m'] = cnt_sel['m'] sel['selection']['cntlist'] = cnt_sel['cntlist'] sel['legend'] = os.path.basename(sel['SourceName'][0]) +" "+ sel['Key'] sel_list.append(sel) if len(sel_list): self.sigRemoveSelection.emit(sel_list) def _replaceClicked(self): if DEBUG: print("Overwritten _replaceClicked method") #get selected scan keys itemlist = self.list.selectedItems() scan_sel = [str(item.text(1)) for item in itemlist] #get selected counter keys cnt_sel = self.cntTable.getCounterSelection() if len(cnt_sel['cntlist']): if len(cnt_sel['y']): self._oldCntSelection = cnt_sel mca_sel = self.mcaTable.getCurrentlySelectedMca() sel_list = [] #build the appropriate selection for mca's for scan in scan_sel: for mca in mca_sel: sel = {} sel['SourceName'] = self.data.sourceName sel['SourceType'] = self.data.sourceType sel['Key'] = scan sel['Key'] += "."+mca sel['selection'] = None #for the future #sel['scanselection'] = False #This could also be MCA sel['legend'] = os.path.basename(sel['SourceName'][0]) +" "+sel['Key'] sel_list.append(sel) if len(cnt_sel['cntlist']): sel = {} sel['SourceName'] = self.data.sourceName sel['SourceType'] = self.data.sourceType sel['Key'] = scan if len(cnt_sel['y']): #if there is something to plot if self.forceMcaBox.isChecked(): sel['scanselection'] = "MCA" else: sel['scanselection'] = True #This could also be SCAN sel['selection'] = {} sel['selection']['x'] = cnt_sel['x'] if len(sel['selection']['x']) == 2: if self.meshBox.isChecked(): sel['selection']['selectiontype'] = "2D" sel['selection']['y'] = cnt_sel['y'] sel['selection']['m'] = cnt_sel['m'] sel['selection']['cntlist'] = cnt_sel['cntlist'] sel['legend'] = os.path.basename(sel['SourceName'][0]) +" "+ sel['Key'] if cnt_sel['y'][0] >= len(cnt_sel['cntlist']): if 'mcalist' in cnt_sel: sel['selection']['mcalist'] = cnt_sel['mcalist'] else: # I could rise the exception here # but I let the data source to rise it. pass sel_list.append(sel) if len(sel_list): self.sigReplaceSelection.emit(sel_list) def _tabChanged(self, value): if DEBUG: print("self._tabChanged(value), value = ",value) text = str(self.mainTab.tabText(value)) if self.data is None: return ddict = {} ddict['SourceName'] = self.data.sourceName ddict['SourceType'] = self.data.sourceType ddict['event'] = "SelectionTypeChanged" ddict['SelectionType'] = text self.sigOtherSignals.emit(ddict) def test(): from PyMca5.PyMcaGui.pymca import QDataSource a = qt.QApplication(sys.argv) w = QSpecFileWidget() if len(sys.argv) > 1: d = QDataSource.QDataSource(sys.argv[1]) else: if os.path.exists('03novs060sum.mca'): d = QDataSource.QDataSource('03novs060sum.mca') else: print("Usage:") print(" python QSpecFileWidget.py filename") a.quit() sys.exit(0) w.setData(d) w.show() def mySlot(selection): print(selection) try: # this is only for "addSelection" print(d.getDataObject(selection[0]['Key'], selection[0]['selection'])) except: pass return w.sigAddSelection.connect(mySlot) w.sigRemoveSelection.connect(mySlot) w.sigReplaceSelection.connect(mySlot) a.lastWindowClosed.connect(a.quit) a.exec_() if __name__=="__main__": test() ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/io/SpecFileCntTable.py�������������������������������������������������0000644�0002763�0000175�00000025062�13136054446�021602� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # Copyright (C) 2004-2017 E. Papillon, V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "E. Papillon, V.A. Sole - ESRF Software Group" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys from PyMca5.PyMcaGui import PyMcaQt as qt QTVERSION = qt.qVersion() DEBUG = 0 try: import PyMca5.Object3D OBJECT3D = True except: OBJECT3D = False class SpecFileCntTable(qt.QTableWidget): sigSpecFileCntTableSignal = qt.pyqtSignal(object) def __init__(self, parent=None): qt.QTableWidget.__init__(self, parent) self.cntList = [] self.mcaList = [] self.xSelection = [] self.ySelection = [] self.monSelection = [] self.__is3DEnabled = False self.__is2DEnabled = False labels = ['Counter', 'X ', 'Y ', 'Mon'] self.setColumnCount(len(labels)) for i in range(len(labels)): item = self.horizontalHeaderItem(i) if item is None: item = qt.QTableWidgetItem(labels[i], qt.QTableWidgetItem.Type) item.setText(labels[i]) self.setHorizontalHeaderItem(i,item) """ #the cell is not the same as the check box #but I wonder about the checkboxes being destroyed self.cellClicked[int, int].connect(self._mySlot) """ def build(self, cntlist, nmca=None): if not OBJECT3D: nmca = 0 nmca = 0 if nmca is None: nmca = 0 self.cntList = cntlist self.mcaList = [] n = len(cntlist) self.setRowCount(n) if n > 0: self.setRowCount(n + nmca) rheight = self.horizontalHeader().sizeHint().height() for i in range(n): self.setRowHeight(i, rheight) self.__addLine(i, cntlist[i]) for j in range(1, 4, 1): widget = self.cellWidget(i, j) widget.setEnabled(True) for j in range(nmca): row = n+j self.setRowHeight(n+j, rheight) mca = "Mca %d" % (j+1) self.mcaList.append(mca) self.__addLine(n+j, self.mcaList[j]) #the x checkbox widget = self.cellWidget(row, 1) widget.setChecked(False) widget.setEnabled(False) #the y checkbox widget = self.cellWidget(row, 2) widget.setChecked(False) widget.setEnabled(True) #the Monitor checkbox widget = self.cellWidget(row, 3) widget.setChecked(False) widget.setEnabled(False) else: self.setRowCount(0) self.resizeColumnToContents(1) self.resizeColumnToContents(2) self.resizeColumnToContents(3) def __addLine(self, i, cntlabel): #the counter name item = self.item(i, 0) if item is None: item = qt.QTableWidgetItem(cntlabel, qt.QTableWidgetItem.Type) item.setTextAlignment(qt.Qt.AlignHCenter | qt.Qt.AlignVCenter) self.setItem(i, 0, item) else: item.setText(cntlabel) #item is just enabled (not selectable) item.setFlags(qt.Qt.ItemIsEnabled) #the checkboxes for j in range(1, 4, 1): widget = self.cellWidget(i, j) if widget is None: widget = CheckBoxItem(self, i, j) self.setCellWidget(i, j, widget) widget.sigCheckBoxItemSignal.connect(self._mySlot) else: pass def set3DEnabled(self, value): self.__is2DEnabled = False if value: self.__is3DEnabled = True if len(self.xSelection) > 3: self.xSelection = self.xSelection[-3:] else: self.__is3DEnabled = False if len(self.xSelection) > 1: self.xSelection = [1 * self.xSelection[0]] self._update() def set2DEnabled(self, value): self.__is3DEnabled = False if value: self.__is2DEnabled = True if len(self.xSelection) > 2: self.xSelection = self.xSelection[-2:] else: self.__is2DEnabled = False if len(self.xSelection) > 1: self.xSelection = [1 * self.xSelection[0]] self._update() def _mySlot(self, ddict): row = ddict["row"] col = ddict["col"] if col == 1: if ddict["state"]: if row not in self.xSelection: self.xSelection.append(row) else: if row in self.xSelection: del self.xSelection[self.xSelection.index(row)] if (not OBJECT3D) or (not self.__is3DEnabled): if len(self.xSelection) > 2: #that is to support mesh plots self.xSelection = self.xSelection[-2:] if not self.__is2DEnabled: if len(self.xSelection) > 1: self.xSelection = self.xSelection[-1:] elif len(self.xSelection) > 3: self.xSelection = self.xSelection[-3:] if col == 2: if ddict["state"]: if row not in self.ySelection: self.ySelection.append(row) else: if row in self.ySelection: del self.ySelection[self.ySelection.index(row)] if col == 3: if ddict["state"]: if row not in self.monSelection: self.monSelection.append(row) else: if row in self.monSelection: del self.monSelection[self.monSelection.index(row)] if len(self.monSelection) > 1: self.monSelection = self.monSelection[-1:] self._update() def _update(self): for i in range(self.rowCount()): j = 1 widget = self.cellWidget(i, j) if i in self.xSelection: if not widget.isChecked(): widget.setChecked(True) else: if widget.isChecked(): widget.setChecked(False) j = 2 widget = self.cellWidget(i, j) if i in self.ySelection: if not widget.isChecked(): widget.setChecked(True) else: if widget.isChecked(): widget.setChecked(False) j = 3 widget = self.cellWidget(i, j) if i in self.monSelection: if not widget.isChecked(): widget.setChecked(True) else: if widget.isChecked(): widget.setChecked(False) ddict = {} ddict["event"] = "updated" self.sigSpecFileCntTableSignal.emit(ddict) def getCounterSelection(self): ddict = {} ddict['cntlist'] = self.cntList * 1 ddict['mcalist'] = self.mcaList * 1 ddict['x'] = self.xSelection * 1 ddict['y'] = self.ySelection * 1 ddict['m'] = self.monSelection * 1 return ddict def setCounterSelection(self, ddict): keys = ddict.keys() if 'cntlist' in keys: cntlist = ddict['cntlist'] else: cntlist = self.cntList * 1 if 'x' in keys: x = ddict['x'] else: x = [] if 'y' in keys: y = ddict['y'] else: y = [] if 'm' in keys: monitor = ddict['m'] else: monitor = [] self.xSelection = [] for item in x: if item < len(cntlist): counter = cntlist[item] if counter in self.cntList: self.xSelection.append(self.cntList.index(counter)) else: self.xSelection.append(item) self.ySelection = [] for item in y: if item < len(cntlist): counter = cntlist[item] if counter in self.cntList: self.ySelection.append(self.cntList.index(counter)) self.monSelection = [] for item in monitor: if item < len(cntlist): counter = cntlist[item] if counter in self.cntList: self.monSelection.append(self.cntList.index(counter)) self._update() class CheckBoxItem(qt.QCheckBox): sigCheckBoxItemSignal = qt.pyqtSignal(object) def __init__(self, parent, row, col): qt.QCheckBox.__init__(self, parent) self.__row = row self.__col = col self.clicked[bool].connect(self._mySignal) def _mySignal(self, value): ddict = {} ddict["event"] = "clicked" ddict["state"] = value ddict["row"] = self.__row * 1 ddict["col"] = self.__col * 1 self.sigCheckBoxItemSignal.emit(ddict) def main(): app = qt.QApplication([]) tab = SpecFileCntTable() tab.build(["Cnt1", "Cnt2", "Cnt3"]) tab.setCounterSelection({'x':[1, 2], 'y':[4], 'cntlist':["dummy", "Cnt0", "Cnt1", "Cnt2", "Cnt3"]}) tab.show() app.exec_() if __name__ == "__main__": main() ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/io/PyMcaFileDialogs.py�������������������������������������������������0000644�0002763�0000175�00000030010�13136054446�021574� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # Copyright (C) 2004-2016 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import os from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5 import PyMcaDirs QTVERSION = qt.qVersion() def getExistingDirectory(parent=None, message=None, mode=None): if message is None: message = "Please select a directory" if mode is None: mode = "OPEN" else: mode = mode.upper() if mode == "OPEN": wdir = PyMcaDirs.inputDir else: wdir = PyMcaDirs.outputDir if PyMcaDirs.nativeFileDialogs: outdir = qt.safe_str(qt.QFileDialog.getExistingDirectory(parent, message, wdir)) else: outfile = qt.QFileDialog(parent) outfile.setWindowTitle("Output Directory Selection") outfile.setModal(1) outfile.setDirectory(wdir) outfile.setFileMode(outfile.DirectoryOnly) ret = outfile.exec_() if ret: outdir = qt.safe_str(outfile.selectedFiles()[0]) else: outdir = "" outfile.close() del outfile if len(outdir): if mode == "OPEN": PyMcaDirs.inputDir = os.path.dirname(outdir) if PyMcaDirs.outputDir is None: PyMcaDirs.outputDir = os.path.dirname(outdir) else: PyMcaDirs.outputDir = os.path.dirname(outdir) if PyMcaDirs.inputDir is None: PyMcaDirs.inputDir = os.path.dirname(outdir) return outdir def getFileList(parent=None, filetypelist=None, message=None, currentdir=None, mode=None, getfilter=None, single=False, currentfilter=None, native=None): if filetypelist is None: fileTypeList = ['All Files (*)'] else: fileTypeList = filetypelist if currentfilter not in filetypelist: currentfilter = None if currentfilter is None: currentfilter = filetypelist[0] if message is None: if single: message = "Please select one file" else: message = "Please select one or more files" if mode is None: mode = "OPEN" else: mode = mode.upper() if currentdir is None: if mode == "OPEN": wdir = PyMcaDirs.inputDir else: wdir = PyMcaDirs.outputDir else: wdir = currentdir if native is None: nativeFileDialogs = PyMcaDirs.nativeFileDialogs else: nativeFileDialogs = native if getfilter is None: getfilter = False if getfilter: if QTVERSION < '4.5.1': native_possible = False else: native_possible = True else: native_possible = True filterused = None if native_possible and nativeFileDialogs: filetypes = currentfilter for filetype in fileTypeList: if filetype != currentfilter: filetypes += ";;" + filetype if getfilter: if mode == "OPEN": if single and hasattr(qt.QFileDialog, "getOpenFileNameAndFilter"): filelist, filterused = qt.QFileDialog.getOpenFileNameAndFilter(parent, message, wdir, filetypes, currentfilter) filelist =[filelist] elif single: # PyQt5 filelist, filterused = qt.QFileDialog.getOpenFileName(parent, message, wdir, filetypes, currentfilter) filelist =[filelist] elif hasattr(qt.QFileDialog, "getOpenFileNamesAndFilter"): filelist, filterused = qt.QFileDialog.getOpenFileNamesAndFilter(parent, message, wdir, filetypes, currentfilter) else: # PyQt5 filelist, filterused = qt.QFileDialog.getOpenFileNames(parent, message, wdir, filetypes, currentfilter) filterused = qt.safe_str(filterused) else: if QTVERSION < '5.0.0': filelist = qt.QFileDialog.getSaveFileNameAndFilter(parent, message, wdir, filetypes) else: filelist = qt.QFileDialog.getSaveFileName(parent, message, wdir, filetypes) if len(filelist[0]): filterused = qt.safe_str(filelist[1]) filelist=[filelist[0]] else: filelist = [] else: if mode == "OPEN": if single: if QTVERSION < '5.0.0': filelist = [qt.QFileDialog.getOpenFileName(parent, message, wdir, filetypes)] else: filelist, filterused = qt.QFileDialog.getOpenFileName(parent, message, wdir, filetypes) filelist = [filelist] else: filelist = qt.QFileDialog.getOpenFileNames(parent, message, wdir, filetypes) else: if QTVERSION < '5.0.0': filelist = qt.QFileDialog.getSaveFileName(parent, message, wdir, filetypes) else: filelist, filterused = qt.QFileDialog.getSaveFileName(parent, message, wdir, filetypes) filelist = qt.safe_str(filelist) if len(filelist): filelist = [filelist] else: filelist = [] if not len(filelist): if getfilter: return [], filterused else: return [] elif filterused is None: sample = qt.safe_str(filelist[0]) for filetype in fileTypeList: ftype = filetype.replace("(", "") ftype = ftype.replace(")", "") extensions = ftype.split()[2:] for extension in extensions: if sample.endswith(extension[-3:]): filterused = filetype break else: fdialog = qt.QFileDialog(parent) fdialog.setModal(True) fdialog.setWindowTitle(message) if hasattr(qt, "QStringList"): strlist = qt.QStringList() else: strlist = [] strlist.append(currentfilter) for filetype in fileTypeList: if filetype != currentfilter: strlist.append(filetype) if hasattr(fdialog, "setFilters"): fdialog.setFilters(strlist) else: fdialog.setNameFilters(strlist) if mode == "OPEN": fdialog.setFileMode(fdialog.ExistingFiles) else: fdialog.setAcceptMode(fdialog.AcceptSave) fdialog.setFileMode(fdialog.AnyFile) fdialog.setDirectory(wdir) if QTVERSION > '4.3.0': history = fdialog.history() if len(history) > 6: fdialog.setHistory(history[-6:]) ret = fdialog.exec_() if ret != qt.QDialog.Accepted: fdialog.close() del fdialog if getfilter: return [], filterused else: return [] else: filelist = fdialog.selectedFiles() if single: filelist = [filelist[0]] if QTVERSION < "5.0.0": filterused = qt.safe_str(fdialog.selectedFilter()) else: filterused = qt.safe_str(fdialog.selectedNameFilter()) if mode != "OPEN": if "." in filterused: extension = filterused.replace(")", "") if "(" in extension: extension = extension.split("(")[-1] extensionList = extension.split() txt = qt.safe_str(filelist[0]) for extension in extensionList: extension = extension.split(".")[-1] if extension != "*": txt = qt.safe_str(filelist[0]) if txt.endswith(extension): break else: txt = txt+"."+extension filelist[0] = txt fdialog.close() del fdialog filelist = [qt.safe_str(x) for x in filelist] if not(len(filelist)): return [] if mode == "OPEN": PyMcaDirs.inputDir = os.path.dirname(filelist[0]) if PyMcaDirs.outputDir is None: PyMcaDirs.outputDir = os.path.dirname(filelist[0]) else: PyMcaDirs.outputDir = os.path.dirname(filelist[0]) if PyMcaDirs.inputDir is None: PyMcaDirs.inputDir = os.path.dirname(filelist[0]) #do not sort file list in order to allow the user other choices #filelist.sort() if getfilter: return filelist, filterused else: return filelist if __name__ == "__main__": app = qt.QApplication([]) fileTypeList = ['PNG Files (*.png *.jpg)', 'TIFF Files (*.tif *.tiff)'] print(getExistingDirectory()) PyMcaDirs.nativeFileDialogs = False print(getExistingDirectory()) PyMcaDirs.nativeFileDialogs = True print(getFileList(parent=None, filetypelist=fileTypeList, message="Please select a file", mode="SAVE", getfilter=True, single=True)) PyMcaDirs.nativeFileDialogs = False print(getFileList(parent=None, filetypelist=fileTypeList, message="Please select input files", mode="OPEN", getfilter=True, currentfilter='TIFF Files (*.tif *.tiff)', single=False)) #app.exec_() ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/io/SpecFileDataInfo.py�������������������������������������������������0000644�0002763�0000175�00000026475�13136054446�021604� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # Copyright (C) 2004-2017 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys from PyMca5.PyMcaGui import PyMcaQt as qt try: from silx.gui.widgets.TableWidget import TableWidget except ImportError: from PyMca5.PyMcaGui.misc.TableWidget import TableWidget QTVERSION = qt.qVersion() class QTable(TableWidget): def setText(self, row, col, text): if qt.qVersion() < "4.0.0": QTable.setText(self, row, col, text) else: item = self.item(row, col) if item is None: item = qt.QTableWidgetItem(text, qt.QTableWidgetItem.Type) self.setItem(row, col, item) else: item.setText(text) class SpecFileDataInfoCustomEvent(qt.QEvent): def __init__(self, ddict): if ddict is None: ddict = {} self.dict = ddict qt.QEvent.__init__(self, qt.QEvent.User) class SpecFileDataInfo(qt.QTabWidget): InfoTableItems= [ ("SourceType", "Type"), ("SourceName", "Filename"), ("Date", "Date"), ("Command", "Command"), ("Key", "Scan Number"), ("Lines", "Nb Lines"), ("NbMca", "Nb Mca Spectrum"), ("NbMcaDet", "Nb Mca Detectors"), ("McaCalib", "Mca Calibration"), ("McaPresetTime", "Mca Preset Time"), ("McaLiveTime", "Mca Live Time"), ("McaRealTime", "Mca Real Time"), #EDF Related ("HeaderID", "HeaderID"), ("Image", "Image"), ("DataType", "Data Type"), ("ByteOrder", "Byte Order"), ("Dim_1", "1st Dimension"), ("Dim_2", "2nd Dimension"), ("Dim_3", "3rd Dimension"), ("Size", "File Data Size"), ] def __init__(self, info, parent=None, name="DataSpecFileInfo", fl=0): if QTVERSION < '4.0.0': qt.QTabWidget.__init__(self, parent, name, fl) self.setContentsMargins(5, 5, 5, 5) else: qt.QTabWidget.__init__(self, parent) if name is not None:self.setWindowTitle(name) self._notifyCloseEventToWidget = [] self.info= info self.__createInfoTable() self.__createMotorTable() self.__createCounterTable() self.__createHeaderText() self.__createEDFHeaderText() self.__createFileHeaderText() if QTVERSION > '4.0.0': def sizeHint(self): return qt.QSize(2 * qt.QTabWidget.sizeHint(self).width(), 3 * qt.QTabWidget.sizeHint(self).height()) def notifyCloseEventToWidget(self, widget): if widget not in self._notifyCloseEventToWidget: self._notifyCloseEventToWidget.append(widget) def __createInfoTable(self): pars= [ par for par in self.InfoTableItems if par[0] in self.info.keys() ] num= len(pars) if num: table= self.__createTable(num, "Parameter", "Value") for idx in range(num): table.setText(idx, 0, str(pars[idx][1])) table.setText(idx, 1, str(self.info.get(pars[idx][0], "-"))) self.__adjustTable(table) self.addTab(table, "Info") def __createTable(self, rows, head_par, head_val): if qt.qVersion() < '4.0.0': table= QTable(self) else: table= QTable() table.setColumnCount(2) table.setRowCount(rows) if qt.qVersion() < '4.0.0': table.setReadOnly(1) table.setSelectionMode(QTable.SingleRow) else: table.setSelectionMode(qt.QTableWidget.NoSelection) table.verticalHeader().hide() if qt.qVersion() < '4.0.0': table.setLeftMargin(0) table.horizontalHeader().setLabel(0, head_par) table.horizontalHeader().setLabel(1, head_val) else: labels = [head_par, head_val] for i in range(len(labels)): item = table.horizontalHeaderItem(i) if item is None: item = qt.QTableWidgetItem(labels[i], qt.QTableWidgetItem.Type) item.setText(labels[i]) table.setHorizontalHeaderItem(i,item) return table def __adjustTable(self, table): for col in range(table.columnCount()): table.resizeColumnToContents(col) if qt.qVersion() > '4.0.0': rheight = table.horizontalHeader().sizeHint().height() for row in range(table.rowCount()): table.setRowHeight(row, rheight) def __createMotorTable(self): nameKeys = ["MotorNames", "motor_mne"] for key in nameKeys: names= self.info.get(key, None) if names is not None: if key != nameKeys[0]: #EDF like ... tmpString = names.replace('"','') #ID01 specific tmpKey = key + '~1' if tmpKey in self.info: tmpString += self.info[tmpKey].replace('"','') names = tmpString.split() break valKeys = ["MotorValues", "motor_pos"] for key in valKeys: pos= self.info.get(key, None) if pos is not None: if key != valKeys[0]: #EDF like ... tmpString = pos.replace('"', '') #ID01 specific tmpKey = key + '~1' if tmpKey in self.info: tmpString += self.info[tmpKey].replace('"','') pos = tmpString.split() break if names is not None and pos is not None: num= len(names) if num != len(pos): print("Incorrent number of labels or values") return if num: table= self.__createTable(num, "Motor", "Position") for idx in range(num): table.setText(idx, 0, str(names[idx])) table.setText(idx, 1, str(pos[idx])) self.__adjustTable(table) self.addTab(table, "Motors") def __createCounterTable(self): nameKeys = ["LabelNames", "counter_mne"] for key in nameKeys: cnts= self.info.get(key, None) if cnts is not None: if key != nameKeys[0]: #EDF like ... cnts = cnts.split() break valKeys = ["LabelValues", "counter_pos"] for key in valKeys: vals= self.info.get(key, None) if vals is not None: if key != valKeys[0]: #EDF like ... vals = vals.split() break if cnts is not None and vals is not None: num= len(cnts) if num != len(vals): print("Incorrent number of labels or values") return if num: table= self.__createTable(num, "Counter", "Value") for idx in range(num): table.setText(idx, 0, str(cnts[idx])) table.setText(idx, 1, str(vals[idx])) self.__adjustTable(table) self.addTab(table, "Counters") def __createHeaderText(self): text = self.info.get("SourceType","") if text.upper() in ['EDFFILE', 'EDFFILESTACK']: return text= self.info.get("Header", None) if text is not None: if qt.qVersion() < '4.0.0': wid = qt.QTextEdit(self) wid.setText("\n".join(text)) else: wid = qt.QTextEdit() wid.insertHtml("<BR>".join(text)) wid.setReadOnly(1) self.addTab(wid, "Scan Header") def __createEDFHeaderText(self): text = self.info.get("SourceType","") if text.upper() not in ['EDFFILE', 'EDFFILESTACK']: return keys = self.info.keys() nameKeys = [] vals = [] for key in keys: if key in ['SourceName', 'SourceType']: continue nameKeys.append(key) vals.append(self.info.get(key," --- ")) num = len(nameKeys) if num: table= self.__createTable(num, "Keyword", "Value") for idx in range(num): table.setText(idx, 0, str(nameKeys[idx])) table.setText(idx, 1, str(vals[idx])) self.__adjustTable(table) self.addTab(table, "Header") def __createFileHeaderText(self): text= self.info.get("FileHeader", None) if text not in [None, []]: if qt.qVersion() < '4.0.0': wid = qt.QTextEdit(self) wid.setText("\n".join(text)) else: wid = qt.QTextEdit() wid.insertHtml("<BR>".join(text)) wid.setReadOnly(1) self.addTab(wid, "File Header") def closeEvent(self, event): ddict = {} ddict['event'] = "SpecFileDataInfoClosed" ddict['id'] = id(self) #self.sigSpecFileDataInfoSignal.emit(ddict) if len(self._notifyCloseEventToWidget): for widget in self._notifyCloseEventToWidget: newEvent = SpecFileDataInfoCustomEvent(ddict) qt.QApplication.postEvent(widget, newEvent) self._notifyCloseEventToWidget = [] return qt.QTabWidget.closeEvent(self, event) def test(): from PyMca5.PyMcaCore import SpecFileLayer if len(sys.argv) < 3: print("USAGE: %s <filename> <key>" % sys.argv[0]) sys.exit(0) d = SpecFileLayer.SpecFileLayer() d.SetSource(sys.argv[1]) info,data = d.LoadSource(sys.argv[2]) app= qt.QApplication([]) wid= SpecFileDataInfo(info) wid.show() app.exec_() if __name__ == "__main__": test() ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/io/__init__.py���������������������������������������������������������0000644�0002763�0000175�00000003214�13136054446�020225� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import os baseDirectory = os.path.dirname(__file__) __path__ += [os.path.join(baseDirectory, "hdf5")] ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/io/QEdfFileWidget.py���������������������������������������������������0000644�0002763�0000175�00000220120�13136054446�021246� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # Copyright (C) 2004-2016 E. Papillon, V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "E. Papillon, V.A. Sole - ESRF Software Group" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os.path import numpy from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaGui import PlotWidget if not hasattr(qt, 'QString'): QString = qt.safe_str QStringList = list else: QString = qt.QString QStringList = qt.QStringList QTVERSION = qt.qVersion() QT4=True from PyMca5.PyMcaGui import QPyMcaMatplotlibSave MATPLOTLIB = True from PyMca5.PyMcaGui import IconDict from PyMca5.PyMcaGui import ColormapDialog from PyMca5.PyMcaGui import PyMcaPrintPreview from PyMca5.PyMcaIO import ArraySave from PyMca5 import PyMcaDirs from . import SpecFileDataInfo from PyMca5 import spslut COLORMAPLIST = [spslut.GREYSCALE, spslut.REVERSEGREY, spslut.TEMP, spslut.RED, spslut.GREEN, spslut.BLUE, spslut.MANY] DEBUG = 0 SOURCE_TYPE = 'EdfFile' __revision__ = "$Revision: 1.35 $" class EdfFile_StandardArray(qt.QWidget): sigWidgetSignal = qt.pyqtSignal(object) def __init__(self, parent=None, name="Edf_StandardArray", images=None, rows=None, cols=None): if images is None: images = 1 if rows is None: rows = 0 if cols is None: cols = 0 qt.QWidget.__init__(self, parent) layout = qt.QGridLayout(self) layout.setContentsMargins(5, 5, 5, 5) ilab= qt.QLabel("Image:", self) self.plab= qt.QLabel("Plot", self) self.ylab= qt.QLabel("Columns :", self) layout.addWidget(ilab, 0, 0, qt.Qt.AlignRight) layout.addWidget(self.plab, 1, 0, qt.Qt.AlignRight) layout.addWidget(self.ylab, 2, 0, qt.Qt.AlignRight|qt.Qt.AlignTop) self.iCombo= qt.QComboBox(self) self.iCombo.setEditable(0) self.plotCombo= qt.QComboBox(self) self.plotCombo.setEditable(0) self.plotCombo.insertItems(0, ["Rows", "Columns"]) self.yList= qt.QListWidget(self) #self.yList.setSelectionMode(qt.QListBox.Multi) layout.addWidget(self.iCombo, 0, 1) layout.addWidget(self.plotCombo,1, 1) layout.addWidget(self.yList, 2, 1) self.plotCombo.activated[int].connect(self.__plotChanged) self.iCombo.activated[int].connect(self.__iChanged) self.setImages(images) self.setDataSize(rows, cols) def setImages(self,images,info=None): self.iCombo.clear() if info is None: info = [] for i in range(images): if len(info) == images: self.iCombo.insertItem(i, "Image %d Key %s" % (i,info[i])) else: self.iCombo.insertItem(i, "Image %d" % i) def setCurrentImage(self,image): if image < self.iCombo.count(): self.iCombo.setCurrentIndex(image) def setDataSize(self, rows, cols): self.rows= rows self.cols= cols idx = self.cols <= self.rows self.plotCombo.setCurrentIndex(idx) self.__plotChanged(idx) def __plotChanged(self, index): if index==1: self.ylab.setText('Columns') txt= "Column" val= self.cols else: self.ylab.setText('Rows') txt= "Row" val= self.rows self.yList.clear() for x in range(val): self.yList.addItem("%s %d"%(txt,x)) ddict={} ddict['event'] = "plotChanged" ddict['plot'] = txt+"s" self.sigWidgetSignal.emit((ddict)) def __iChanged(self, index): ddict={} ddict['event'] = "imageChanged" ddict['index'] = index self.sigWidgetSignal.emit((ddict)) def getSelection(self): selection= [] idx = self.plotCombo.currentIndex() if idx==1: plot= "cols" else: plot= "rows" idx = self.iCombo.currentIndex() if idx==0: image= None else: image= idx-1 ylist= [ idx for idx in range(self.yList.count()) if self.yList.isItemSelected(self.yList.item(idx)) ] for y in ylist: selection.append({"plot":plot, "image": image,"x":None, "y":y}) return selection def markImageSelected(self,imagelist=[]): current = self.iCombo.currentIndex() images = self.iCombo.count() #self.iCombo.clear() msg = " (selected)" for i in range(images): index = "%d" % i text = qt.safe_str(self.iCombo.itemText(i)).split(msg)[0] key = text.split()[-1] if key in imagelist: self.iCombo.setItemText(i, "%s%s" % (text,msg)) else: self.iCombo.setItemText(i, "%s" % (text)) self.iCombo.setCurrentIndex(current) def markRowSelected(self, rowlist=[]): if not qt.safe_str(self.plotCombo.currentText()) == "Rows": return current = self.yList.currentItem() n = self.yList.count() self.yList.clear() for index in range(n): if index in rowlist: self.yList.addItem(" Row %d (selected)" % index) else: self.yList.addItem(" Row %d" % index) def markColSelected(self, collist=[]): if not qt.safe_str(self.plotCombo.currentText()) == "Columns": return current = self.yList.currentItem() n = self.yList.count() self.yList.clear() for index in range(n): if index in collist: self.yList.addItem(" Column %d (selected)" % index) else: self.yList.addItem(" Column %d" % index) self.yList.setCurrentItem(current) class QEdfFileWidget(qt.QWidget): sigAddSelection = qt.pyqtSignal(object) sigRemoveSelection = qt.pyqtSignal(object) sigReplaceSelection = qt.pyqtSignal(object) def __init__(self, parent=None, justviewer=False): qt.QWidget.__init__(self, parent) self.justViewer = justviewer self.dataSource= None self.oldsource = "" self.oldcurrentArray = None self.data= None self.currentFile= None self.currentArray= 0 self._matplotlibSaveImage = None self.selection= None self.__plotting = "Columns" self._edfstack = None self.lastInputDir = None self.colormapDialog = None self.colormap = None self.printPreview = PyMcaPrintPreview.PyMcaPrintPreview(modal = 0) if DEBUG: print("printPreview id = %d" % id(self.printPreview)) #self.selectPixmap= qt.QPixmap(icons.selected) #self.unselectPixamp= qt.QPixmap(icons.unselected) self.mapComboName= {} self.mainLayout= qt.QVBoxLayout(self) self.toolBar = None self._buildToolBar() # --- splitter self.splitter= qt.QSplitter(self) self.splitter.setOrientation(qt.Qt.Vertical) # --- graph self.graph=PlotWidget.PlotWidget(self.splitter, backend=None) self.graph.setGraphTitle('') self.graph.setGraphXLabel('Columns') self.graph.setGraphYLabel('Rows') self.graph.sigPlotSignal.connect(self.widgetSignal) self._x1Limit = self.graph.getGraphXLimits()[-1] self._y1Limit = self.graph.getGraphYLimits()[-1] #self.graph.hide() # --- array parameter self.__dummyW = qt.QWidget(self.splitter) self.__dummyW.layout =qt.QVBoxLayout(self.__dummyW) self.__dummyW.layout.setContentsMargins(0, 0, 0, 0) self.__dummyW.layout.setSpacing(0) if not justviewer: self.applygroupContainer = qt.QWidget(self.__dummyW) self.applytoone = qt.QCheckBox(self.applygroupContainer) self.applytoone.setText("Apply to seen image") self.applytoone.setChecked(1) self.applytoall = qt.QCheckBox(self.applygroupContainer) self.applytoall.setText("Apply to all images in list") self.applygroup = qt.QButtonGroup() self.applygroup.addButton(self.applytoone, 0) self.applygroup.addButton(self.applytoall, 1) self.applygroup.setExclusive(True) self.applygroupLayout = qt.QHBoxLayout(self.applygroupContainer) self.applygroupLayout.setContentsMargins(0, 0, 0, 0) self.applygroupLayout.setSpacing(0) self.applygroupLayout.addWidget(self.applytoone) self.applygroupLayout.addWidget(self.applytoall) self.__dummyW.layout.addWidget(self.applygroupContainer) self.applygroup.buttonClicked[int].connect(self.groupSignal) self.dataInfoWidgetDict = {} self.paramWidget = EdfFile_StandardArray(self.__dummyW) self.__dummyW.layout.addWidget(self.paramWidget) self.paramWidget.sigWidgetSignal.connect(self.widgetSignal) if justviewer: self.paramWidget.plab.hide() self.paramWidget.plotCombo.hide() self.paramWidget.ylab.hide() self.paramWidget.yList.hide() self.allImages = 0 # --- main layout self.mainLayout.setContentsMargins(5, 5, 5, 5) self.mainLayout.setSpacing(2) #self.mainLayout.addWidget(self.infoBar) self.mainLayout.addWidget(self.splitter) if not justviewer: self._buildActions() def _buildToolBar(self): self.hFlipIcon = qt.QIcon(qt.QPixmap(IconDict["gioconda16mirror"])) self.solidCircleIcon = qt.QIcon(qt.QPixmap(IconDict["solidcircle"])) self.solidEllipseIcon = qt.QIcon(qt.QPixmap(IconDict["solidellipse"])) self.colormapIcon = qt.QIcon(qt.QPixmap(IconDict["colormap"])) self.zoomResetIcon = qt.QIcon(qt.QPixmap(IconDict["zoomreset"])) self.printIcon = qt.QIcon(qt.QPixmap(IconDict["fileprint"])) self.saveIcon = qt.QIcon(qt.QPixmap(IconDict["filesave"])) try: self.infoIcon = qt.QApplication.style().\ standardIcon(qt.QStyle.SP_MessageBoxInformation) except: self.infoIcon = None self.toolBar = qt.QWidget(self) self.toolBarLayout = qt.QHBoxLayout(self.toolBar) self.toolBarLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.addWidget(self.toolBar) #Autoscale self._addToolButton(self.zoomResetIcon, self._zoomReset, 'Auto-Scale the Graph') self.aspectButton = self._addToolButton(self.solidCircleIcon, self._aspectButtonSignal, 'Keep data aspect ratio', toggle = False) self.aspectButton.setChecked(False) self._keepDataAspectRatioFlag = False #colormap self._addToolButton(self.colormapIcon, self.selectColormap, 'Color-Scale the Graph') tb = self._addToolButton(self.hFlipIcon, self._hFlipIconSignal, 'Flip Horizontal') self.hFlipToolButton = tb #info if self.infoIcon is not None: self._addToolButton(self.infoIcon, self._showInformation, 'Show source information') #save if MATPLOTLIB: tb = self._addToolButton(self.saveIcon, self.__saveIconSignal, 'Export Graph') self._saveMenu = qt.QMenu() self._saveMenu.addAction(QString("Standard"), self._saveIconSignal) self._saveMenu.addAction(QString("Matplotlib") , self._saveMatplotlibImage) else: tb = self._addToolButton(self.saveIcon, self._saveIconSignal, 'Export Graph') #info self.infoText = qt.QLabel(self.toolBar) self.infoText.setText(" X = ???? Y = ???? Z = ????") self.toolBarLayout.addWidget(self.infoText) self.toolBarLayout.addWidget(qt.HorizontalSpacer(self.toolBar)) # ---print tb = self._addToolButton(self.printIcon, self.printGraph, 'Print the Graph') def _hFlipIconSignal(self): if DEBUG: print("_hFlipIconSignal called") if self.graph.isYAxisInverted(): self.graph.invertYAxis(False) else: self.graph.invertYAxis(True) self.graph.replot() def _aspectButtonSignal(self): if DEBUG: print("_aspectButtonSignal") if self._keepDataAspectRatioFlag: self.keepDataAspectRatio(False) else: self.keepDataAspectRatio(True) def keepDataAspectRatio(self, flag=True): if flag: self._keepDataAspectRatioFlag = True self.aspectButton.setIcon(self.solidEllipseIcon) self.aspectButton.setToolTip("Set free data aspect ratio") else: self._keepDataAspectRatioFlag = False self.aspectButton.setIcon(self.solidCircleIcon) self.aspectButton.setToolTip("Keep data aspect ratio") self.graph.keepDataAspectRatio(self._keepDataAspectRatioFlag) def _addToolButton(self, icon, action, tip, toggle=None): tb = qt.QToolButton(self.toolBar) tb.setIcon(icon) tb.setToolTip(tip) if toggle is not None: if toggle: tb.setCheckable(1) self.toolBarLayout.addWidget(tb) tb.clicked.connect(action) return tb def _showInformation(self): if (self.data is None) or \ (self.currentArray is None): qt.QMessageBox.information(self, "No data",\ "No information to be shown") return #this could be cached because implies a new reading infoSource= self.data.getSourceInfo() info = self.data.getKeyInfo(infoSource['KeyList']\ [self.currentArray]) infoWidget = SpecFileDataInfo.SpecFileDataInfo(info, parent=None) infoWidget.show() infoWidget.notifyCloseEventToWidget(self) self.dataInfoWidgetDict[id(infoWidget)] = infoWidget def _dataInfoClosed(self, ddict): if ddict['event'] == "SpecFileDataInfoClosed": key = ddict['id'] if key in self.dataInfoWidgetDict: del self.dataInfoWidgetDict[key] def customEvent(self, event): if hasattr(event, 'dict'): ddict = event.dict self._dataInfoClosed(ddict) def _zoomReset(self): if DEBUG: print("_zoomReset") self.graph.resetZoom() def _saveMatplotlibImage(self): if self._matplotlibSaveImage is None: if (self.currentArray is None) or \ (self.data is None): self._matplotlibSaveImage = QPyMcaMatplotlibSave.SaveImageSetup(None, None) else: self._matplotlibSaveImage = QPyMcaMatplotlibSave.SaveImageSetup(None, self.lastData) else: self._matplotlibSaveImage.setImageData(self.lastData) self._matplotlibSaveImage.show() self._matplotlibSaveImage.raise_() def __saveIconSignal(self): self._saveMenu.exec_(self.cursor().pos()) def _saveIconSignal(self): self.lastInputDir = PyMcaDirs.outputDir fileTypeList = ["Data *.dat", "ImageData *.tif", "Image *.png", "Image *.jpg", "ZoomedImage *.png", "ZoomedImage *.jpg", "Widget *.png", "Widget *.jpg"] outfile = qt.QFileDialog(self) outfile.setModal(1) outfile.setWindowTitle("Output File Selection") strlist = QStringList() for f in fileTypeList: strlist.append(f) if hasattr(outfile, "setFilters"): outfile.setFilters(strlist) else: outfile.setNameFilters(strlist) outfile.setFileMode(outfile.AnyFile) outfile.setAcceptMode(outfile.AcceptSave) outfile.setDirectory(self.lastInputDir) ret = outfile.exec_() if not ret: return if hasattr(outfile, "selectedFilter"): filterused = qt.safe_str(outfile.selectedFilter()).split() else: filterused = qt.safe_str(outfile.selectedNameFilter()).split() filetype = filterused[0] extension = filterused[1] outstr = qt.safe_str(outfile.selectedFiles()[0]) try: outputFile = os.path.basename(outstr) except: outputFile = outstr outputDir = os.path.dirname(outstr) self.lastInputDir = outputDir PyMcaDirs.outputDir = outputDir #always overwrite for the time being if len(outputFile) < len(extension[1:]): outputFile += extension[1:] elif outputFile[-4:] != extension[1:]: outputFile += extension[1:] outputFile = os.path.join(outputDir, outputFile) if os.path.exists(outputFile): try: os.remove(outputFile) except: qt.QMessageBox.critical(self, "Save Error", "Cannot overwrite existing file") return tiff = False if filetype.upper() == "IMAGEDATA": tiff = True if (filetype.upper() == "DATA") or tiff: if (self.data is None) or \ (self.currentArray is None): qt.QMessageBox.information(self, "No data",\ "No data to be saved") return i = 0 for sname in self.data.sourceName: if i == 0: selfdatasourceName = sname i = 1 else: selfdatasourceName += "|"+sname key = self.data.getSourceInfo()['KeyList'][self.currentArray] label = selfdatasourceName +"_"+"Key"+"_"+key try: if tiff: ArraySave.save2DArrayListAsMonochromaticTiff([self.lastData], outputFile, labels = [label], dtype=None) else: ArraySave.save2DArrayListAsASCII([self.lastData], outputFile, labels = [label]) except: qt.QMessageBox.critical(self, "Save Error", "%s" % \ sys.exc_info()[1]) return elif filetype.upper() == "IMAGE": self.saveGraphImage(outputFile, original=True) elif filetype.upper() == "ZOOMEDIMAGE": self.saveGraphImage(outputFile,original=False) else: self.saveGraphWidget(outputFile) def saveGraphImage(self, filename,original=True): fformat = filename[-3:].upper() #This is the whole image, not the zoomed one ... rgbData, legend, info, pixmap = self.graph.getActiveImage() if original: # save whole image bgrData = numpy.array(rgbData, copy=True) bgrData[:,:,0] = rgbData[:, :, 2] bgrData[:,:,2] = rgbData[:, :, 0] else: shape = rgbData.shape[:2] xmin, xmax = self.graph.getGraphXLimits() ymin, ymax = self.graph.getGraphYLimits() # save zoomed image, for that we have to get the limits r0, c0 = ymin, xmin r1, c1 = ymax, xmax row0 = int(min(r0, r1)) row1 = int(max(r0, r1)) col0 = int(min(c0, c1)) col1 = int(max(c0, c1)) if row1 < shape[0]: row1 += 1 if col1 < shape[1]: col1 += 1 tmpArray = rgbData[row0:row1, col0:col1, :] bgrData = numpy.array(tmpArray, copy=True, dtype=rgbData.dtype) bgrData[:,:,0] = tmpArray[:, :, 2] bgrData[:,:,2] = tmpArray[:, :, 0] if self.graph.isYAxisInverted(): qImage = qt.QImage(bgrData, bgrData.shape[1], bgrData.shape[0], qt.QImage.Format_RGB32) else: qImage = qt.QImage(bgrData, bgrData.shape[1], bgrData.shape[0], qt.QImage.Format_RGB32).mirrored(False, True) pixmap = qt.QPixmap.fromImage(qImage) if pixmap.save(filename, fformat): return else: qt.QMessageBox.critical(self, "Save Error", "%s" % sys.exc_info()[1]) return def saveGraphWidget(self, filename): fformat = filename[-3:].upper() if hasattr(qt.QPixmap, "graphWidget"): # Qt4 pixmap = qt.QPixmap.grabWidget(self.graph) else: #Qt5 pixmap = self.graph.grab() if pixmap.save(filename, fformat): return else: qt.QMessageBox.critical(self, "Save Error", "%s" % sys.exc_info()[1]) return def setSaveDirectory(self, wdir): if os.path.exists(wdir): self.lastInputDir = wdir return True else: return False def printGraph(self): if hasattr(qt.QPixmap, "graphWidget"): # Qt4 pixmap = qt.QPixmap.grabWidget(self.graph) else: #Qt5 pixmap = self.graph.grab() self.printPreview.addPixmap(pixmap) if self.printPreview.isHidden(): self.printPreview.show() self.printPreview.raise_() def _buildActions(self): self.buttonBox = qt.QWidget(self) buttonBox = self.buttonBox self.buttonBoxLayout = qt.QGridLayout(buttonBox) self.buttonBoxLayout.setContentsMargins(0, 0, 0, 0) self.buttonBoxLayout.setSpacing(2) self.add2DButton = qt.QPushButton(buttonBox) self.add2DButton.setText("ADD 2D") self.remove2DButton = qt.QPushButton(buttonBox) self.remove2DButton.setText("REMOVE 2D") self.replace2DButton = qt.QPushButton(buttonBox) self.replace2DButton.setText("REPLACE 2D") self.addButton = qt.QPushButton(buttonBox) self.addButton.setText("ADD") self.removeButton = qt.QPushButton(buttonBox) self.removeButton.setText("REMOVE") self.replaceButton = qt.QPushButton(buttonBox) self.replaceButton.setText("REPLACE") self.buttonBoxLayout.addWidget(self.add2DButton, 0, 0) self.buttonBoxLayout.addWidget(self.remove2DButton, 0, 1) self.buttonBoxLayout.addWidget(self.replace2DButton, 0, 2) self.buttonBoxLayout.addWidget(self.addButton, 1, 0) self.buttonBoxLayout.addWidget(self.removeButton, 1, 1) self.buttonBoxLayout.addWidget(self.replaceButton, 1, 2) self.mainLayout.addWidget(buttonBox) self.add2DButton.clicked.connect(self._add2DClicked) self.remove2DButton.clicked.connect(self._remove2DClicked) self.replace2DButton.clicked.connect(self._replace2DClicked) self.addButton.clicked.connect(self._addClicked) self.removeButton.clicked.connect(self._removeClicked) self.replaceButton.clicked.connect(self._replaceClicked) def _buildActionsQt3(self): self.buttonBox = qt.QWidget(self) buttonBox = self.buttonBox self.buttonBoxLayout = qt.QHBoxLayout(buttonBox) self.addButton = qt.QPushButton(buttonBox) self.addButton.setText("ADD") self.removeButton = qt.QPushButton(buttonBox) self.removeButton.setText("REMOVE") self.replaceButton = qt.QPushButton(buttonBox) self.replaceButton.setText("REPLACE") self.buttonBoxLayout.addWidget(self.addButton) self.buttonBoxLayout.addWidget(self.removeButton) self.buttonBoxLayout.addWidget(self.replaceButton) self.mainLayout.addWidget(buttonBox) self.addButton.clicked.connect(self._addClicked) self.removeButton.clicked.connect(self._removeClicked) self.replaceButton.clicked.connect(self._replaceClicked) def groupSignal(self,i): self.allImages = i def widgetSignal(self,dict=None): if dict is None: dict = {} if 'event' in dict: if dict['event'] == 'plotChanged': self.__plotting = dict['plot'] self.__refreshSelection() elif dict['event'] in ['mouseMoved', 'MouseAt']: x = round(dict['y']) if x < 0: x = 0 y = round(dict['x']) if y < 0: y = 0 if (self.data is None) or \ (self.currentArray is None): self.infoText.setText(" X = %d Y = %d Z = ????" %\ (y, x)) else: limits = self.lastData.shape x = min(int(x), limits[0]-1) y = min(int(y), limits[1]-1) z = self.lastData[x, y] self.infoText.setText(" X = %d Y = %d Z = %.4g" %\ (y, x, z)) elif dict['event'] in ['mouseClicked', 'MouseClick']: if self.justViewer: return col = min(int(round(dict['x'])), self._x1Limit - 1) row = min(int(round(dict['y'])), self._y1Limit - 1) if row < 0: row = 0 if col < 0: col = 0 if self.data is None: self.graph.removeImage(legend="QEdfFileWidget") wid = self.__getParamWidget('array') wid.setImages(1) return if self.data.sourceName is None:return if self.selection is None: self.selection = {} nsel = {} i = 0 for sname in self.data.sourceName: if i == 0: selfdatasourceName = sname i = 1 else: selfdatasourceName += "|"+sname nsel['SourceType'] = self.data.sourceType nsel['SourceName'] = selfdatasourceName nsel['selection'] = None key_list = self.data.getSourceInfo()['KeyList'] if self.currentArray == len(key_list): key = '0.0' else: key = key_list[self.currentArray] if self.allImages: arraynamelist = key_list else: arraynamelist = [key] for key in arraynamelist: nsel['Key'] = key signalsel = {} signalsel['SourceType'] = self.data.sourceType signalsel['SourceName'] = self.data.sourceName signalsel['selection'] = None signalsel['Key'] = key if self.__plotting == 'Rows': ptype = 'rows' nsel[key] = {'rows':[{'y':row,'x':None}],'cols':[]} signalsel['Key'] += ".r.%d" % row else: nsel[key] = {'rows':[],'cols':[{'y':col,'x':None}]} signalsel['Key'] += ".c.%d" % col ptype = 'cols' name = "" i = int(key.split(".")[0]) if i > 0: signalsel['legend'] = os.path.basename(self.data.sourceName[i-1]) +" "+signalsel['Key'] else: signalsel['legend'] = "EDF Stack "+ os.path.basename(self.data.sourceName[0])+\ " "+signalsel['Key'] if self.selection == {}: self.setSelected([nsel],reset=0) self.sigAddSelection.emit([signalsel]) elif not (nsel['SourceName'] in self.selection): self.setSelected([nsel],reset=0) self.sigAddSelection.emit([signalsel]) elif not (key in self.selection[nsel['SourceName']]): self.setSelected([nsel],reset=0) self.sigAddSelection.emit([signalsel]) elif len(self.selection[nsel['SourceName']][key][ptype]) == 0: self.setSelected([nsel],reset=0) self.sigAddSelection.emit([signalsel]) elif nsel[key][ptype][0] not in self.selection[nsel['SourceName']][key][ptype]: self.setSelected([nsel],reset=0) self.sigAddSelection.emit([signalsel]) else: self.removeSelection([nsel]) elif dict['event'] == 'imageChanged': if DEBUG: print("Image changed") if dict['index'] != self.currentArray: self.currentArray = dict['index'] self.refresh() if DEBUG: print("self.currentArray = ",self.currentArray) def openFile(self, filename=None,justloaded=None): if DEBUG: print("openfile = %s" % filename) if justloaded is None:justloaded = 0 if filename is None: self.lastInputDir = PyMcaDirs.inputDir if QT4: fdialog = qt.QFileDialog(self) fdialog.setModal(True) fdialog.setWindowTitle("Open a new EdfFile") strlist = QStringList() strlist.append("EDF Files *edf") strlist.append("EDF Files *ccd") strlist.append("All Files *") fdialog.setFilters(strlist) fdialog.setFileMode(fdialog.ExistingFiles) ret = fdialog.exec_() if ret == qt.QDialog.Accepted: filelist = fdialog.selectedFiles() fdialog.close() del fdialog else: fdialog.close() del fdialog return elif sys.platform == 'win32': wdir = self.lastInputDir if wdir is None:wdir = "" filelist = qt.QFileDialog.getOpenFileNames("EdfFiles (*.edf)\nEdfFiles (*mca)\nEdfFiles (*ccd)\nAll files (*)", wdir, self,"openFile", "Open a new EdfFile") else: filedialog = qt.QFileDialog(self,"Open new EdfFile(s)",1) if self.lastInputDir is not None: filedialog.setDir(self.lastInputDir) filedialog.setMode(filedialog.ExistingFiles) filedialog.setFilters("EdfFiles (*.edf)\nEdfFiles (*.mca)\nEdfFiles (*ccd)\nAll files (*)") if filedialog.exec_loop() == qt.QDialog.Accepted: filelist= filedialog.selectedFiles() else: return #respect selection choice #filelist.sort() filename=[] for f in filelist: filename.append(qt.safe_str(f)) if not len(filename): return if len(filename): self.lastInputDir = os.path.dirname(filename[0]) PyMcaDirs.inputDir = os.path.dirname(filename[0]) justloaded = 1 if justloaded: if type(filename) != type([]): filename = [filename] if not os.path.exists(filename[0]): raise IOError("File %s does not exist" % filename[0]) if (justloaded) and (filename in self.mapComboName.keys()): self.selectFile(filename,justloaded=justloaded) elif 1: combokey = os.path.basename(filename[0]) self.mapComboName[combokey]= filename self.selectFile(combokey,justloaded=justloaded) else: if not self.data.SetSource(filename): qt.QMessageBox.critical(self, "ERROR opening EdfFile", "Cannot open following EdfFile:\n%s"%(filename)) else: filename= self.data.SourceName.split("|") if len(filename) > 1: combokey = 'EDF Stack' self._edfstack = filename else: combokey = os.path.basename(filename[0]) if combokey not in self.mapComboName.keys(): self.mapComboName[combokey]= filename[0] if QT4: self.fileCombo.addItem(combokey) else: self.fileCombo.insertItem(combokey) self.selectFile(combokey,justloaded=justloaded) def selectFile(self, filename=None, justloaded=None): if justloaded is None:justloaded=0 if filename is not None: #if qt.safe_str(self.fileCombo.currentText()) !=\ # self.mapComboName[filename]: if filename == 'EDF Stack': filename= self._edfstack else: filename = self.mapComboName[filename] if justloaded and (filename==self._edfstack): self.currentArray=len(self.data.getSourceInfo()['KeyList']) else: self.currentArray=0 self.refresh() def selectColormap(self): if self.colormap is None: return if self.colormapDialog.isHidden(): self.colormapDialog.show() self.colormapDialog.raise_() self.colormapDialog.show() def getPixmapFromData(self, data, colormap): finiteData = numpy.isfinite(data) goodData = finiteData.min() if self.colormapDialog is not None: minData = self.colormapDialog.dataMin maxData = self.colormapDialog.dataMax else: if goodData: minData = data.min() maxData = data.max() else: tmpData = data[finiteData] if tmpData.size > 0: minData = tmpData.min() maxData = tmpData.max() else: minData = None maxData = None tmpData = None if colormap is None: if minData is None: (pixmap,size,minmax)= spslut.transform(\ data, (1,0), (self.__defaultColormapType,3.0), "RGBX", self.__defaultColormap, 1, (0, 1), (0, 255), 1) else: (pixmap,size,minmax)= spslut.transform(\ data, (1,0), (self.__defaultColormapType,3.0), "RGBX", self.__defaultColormap, 0, (minData,maxData), (0, 255), 1) else: if len(colormap) < 7: colormap.append(spslut.LINEAR) if goodData: (pixmap,size,minmax)= spslut.transform(\ data, (1,0), (colormap[6],3.0), "RGBX", COLORMAPLIST[int(str(colormap[0]))], colormap[1], (colormap[2],colormap[3]), (0,255), 1) elif colormap[1]: #autoscale if minData is None: (pixmap,size,minmax)= spslut.transform(\ data, (1,0), (self.__defaultColormapType,3.0), "RGBX", self.__defaultColormap, 1, (0, 1), (0, 255), 1) else: (pixmap,size,minmax)= spslut.transform(\ data, (1,0), (colormap[6],3.0), "RGBX", COLORMAPLIST[int(str(colormap[0]))], 0, (minData,maxData), (0,255), 1) else: (pixmap,size,minmax)= spslut.transform(\ data, (1,0), (colormap[6],3.0), "RGBX", COLORMAPLIST[int(str(colormap[0]))], colormap[1], (colormap[2],colormap[3]), (0,255), 1) pixmap.shape = [data.shape[0], data.shape[1], 4] if not goodData: pixmap[finiteData < 1] = 255 return pixmap def updateColormap(self, *var): if len(var) == 1: var = var[0] if len(var) > 6: self.colormap = [var[0], var[1], var[2], var[3], var[4], var[5], var[6]] elif len(var) > 5: self.colormap = [var[0], var[1], var[2], var[3], var[4], var[5]] else: self.colormap = [var[0], var[1], var[2], var[3], var[4], var[5]] #self.graph.invertYAxis(True) pixmap = self.getPixmapFromData(self.lastData, self.colormap) self.graph.addImage(pixmap, legend="QEdfFileWidget") self.graph.replot() def closeFile(self, filename=None): if filename is None: ffile= qt.safe_str(self.fileCombo.currentText()) #if file != "EDF Stack": # filename = self.mapComboName[file] #else: # filename ="EDF Stack" filename = ffile #print self.selection if (self.selection is not None) and filename in self.selection: nmca = 0 for key in self.selection[filename].keys(): nmca += len(self.selection[filename][key]['rows']) + len(self.selection[filename][key]['cols']) if nmca: msg= "%d mca are linked to that EdfFile source.\n"% nmca msg+="Do you really want to delete all these graphs ??" ans= qt.QMessageBox.information(self, "Remove SpecFile %s"%filename, msg, qt.QMessageBox.No, qt.QMessageBox.Yes) if ans==qt.QMessageBox.No: return try: self.sigDelSelection.emit((self.data.SourceName, mcakeys)) except: if DEBUG: print("sigDelSelection is to be implemented") for idx in range(self.fileCombo.count()): itext = self.fileCombo.itemText(idx) if filename == "EDF Stack": if itext == filename: self.fileCombo.removeItem(idx) del self.mapComboName[filename] break elif qt.safe_str(itext) ==\ os.path.basename(self.mapComboName[filename]): self.fileCombo.removeItem(idx) del self.mapComboName[filename] break if not self.fileCombo.count(): self.data.sourceName = None self._reset() #self.selectFile() else: self.selectFile(self.mapComboName.keys()[0]) def __fileSelection(self, ffile): ffile= qt.safe_str(ffile) for filename, comboname in self.mapComboName.items(): if filename == ffile: self.selectFile(filename) break def _reset(self): self.graph.removeImage(legend="QEdfFileWidget") self.oldsource = None self.graph.clearMarkers() self.graph.replot() wid = self.__getParamWidget('array') wid.setImages(1) wid.setDataSize(0,0) def setDataSource(self,data=None): if DEBUG: print("setData(self, data) called") print("data = ",data) self.data= data self.refresh() def refresh(self): if DEBUG: print("refresh method called") if self.data is None: self._reset() #wid = self.__getParamWidget('array') #wid.setImages(1) return if self.data.sourceName is None: return self.currentFile = self.data.sourceName #this gives the number of images in the file infoSource= self.data.getSourceInfo() if DEBUG: print("info :") print(infoSource) nimages=len(infoSource['KeyList']) #print self.data.SourceName,"nimages = ",nimages loadsum = 0 if nimages == 1: self.currentArray = 0 elif self.currentArray > nimages: self.currentArray = 0 elif self.currentArray == nimages: loadsum=1 #print "SUM = ",loadsum, infoSource['KeyList'] #print self.currentArray if (self.oldsource != self.currentFile) or (self.oldcurrentArray != self.currentArray): if DEBUG: print("I have to read again ... ") if not loadsum: if DEBUG: print("Not Loading the sum") dataObject = self.data.getDataObject(infoSource['KeyList']\ [self.currentArray]) info = dataObject.info data = dataObject.data imageinfo = infoSource['KeyList'] else: if DEBUG: print("Loading the sum") dataObject = self.data.getDataObject('0.0') info = dataObject.info data = dataObject.data imageinfo = infoSource['KeyList'] wid= self.__getParamWidget("array") if nimages > 1: if 'Title' in info: i = 0 for key in self.data.getSourceInfo()['KeyList']: source,image = key.split(".") source = int(source) image = int(image) dataObject = self.data.getDataObject(key) header = dataObject.info if 'Title' in header: imageinfo[i] += "- " + header['Title'] i+=1 if DEBUG: print("NOT ADDING 0.0 - SUM KEY") wid.setImages(nimages+1,info = imageinfo+["0.0 - SUM"]) wid.setImages(nimages,info = imageinfo) else: if 'Title' in info: imageinfo [self.currentArray] += info['Title'] wid.setImages(nimages, info = imageinfo) wid.setCurrentImage(self.currentArray) #P.B. -> pointer(a,d1,d2,i1,i2) = a+ (i1+i2 * d1) wid.setDataSize(int(info["Dim_2"]), int(info["Dim_1"])) if DEBUG: print("Image size = %d x %d" % (int(info["Dim_2"]), int(info["Dim_1"]))) print("data size = ", data.shape) if self.graph.isHidden(): self.graph.show() ##self.graph.setx1axislimits(0, int(info["Dim_2"])) ##self.graph.sety1axislimits(0, int(info["Dim_1"])) self._x1Limit = int(info["Dim_1"]) self._y1Limit = int(info["Dim_2"]) self.graph.clear() minData = data.min() maxData = data.max() wasnone = 0 self.lastData = data if self.colormapDialog is None: wasnone = 1 self.colormapDialog = ColormapDialog.ColormapDialog() self.colormapDialog.colormapIndex = self.colormapDialog.colormapList.index("Temperature") self.colormapDialog.colormapString = "Temperature" self.colormapDialog.sigColormapChanged.connect( \ self.updateColormap) self.colormapDialog.setDataMinMax(minData, maxData) if wasnone: self.colormapDialog.setAutoscale(1) self.colormapDialog.setColormap(self.colormapDialog.colormapIndex) self.colormap = (self.colormapDialog.colormapIndex, self.colormapDialog.autoscale, self.colormapDialog.minValue, self.colormapDialog.maxValue, minData, maxData) #self.graph.imagePlot(data=data, colormap = self.colormap) self.colormapDialog._update() pixmap = self.getPixmapFromData(data, self.colormap) self.graph.addImage(pixmap, legend="QEdfFileWidget") self.__refreshSelection() self.graph.replot() self.oldsource = "%s" % self.data.sourceName self.oldcurrentArray = self.currentArray * 1 def __getParamWidget(self, widtype): return self.paramWidget def _replaceClicked(self): if DEBUG: print("replace clicked") selkeys= self.__getSelectedKeys() if len(selkeys): #self.eh.event(self.repEvent, selkeys) if DEBUG: print("Replace event") if self.allImages: arraynamelist = self.data.getSourceInfo()['KeyList'] else: arraynamelist = [] for selection in selkeys: arraynamelist.append(selection['Key']) sellist=[] signalsellist = [] for arrayname in arraynamelist: sel = {} sel['SourceType'] = SOURCE_TYPE for selection in selkeys: signalsel = {} signalsel.update(sel) signalsel['selection'] = None signalsel['SourceName'] = self.data.sourceName if not ('SourceName' in sel): sel['SourceName'] = selection['SourceName'] arrayname = selection['Key'] if not ('Key' in sel): sel['Key'] = selection['Key'] signalsel['Key'] = selection['Key'] if not (arrayname in sel): sel[arrayname] = {'rows':[],'cols':[]} if selection['plot'] == 'cols': sel[arrayname]['cols'].append({'x':selection['x'],'y':selection['y']}) signalsel['Key'] += ".c.%d" % selection['y'] if selection['plot'] == 'rows': sel[arrayname]['rows'].append({'x':selection['x'],'y':selection['y']}) signalsel['Key'] += ".r.%d" % selection['y'] i = int(signalsel['Key'].split(".")[0]) if i > 0: signalsel['legend'] = os.path.basename(self.data.sourceName[i-1]) +" "+signalsel['Key'] else: signalsel['legend'] = "EDF Stack "+ \ os.path.basename(self.data.sourceName[0])+\ " "+signalsel['Key'] """ if selection['plot'] == 0: sel[arrayname]['mca'].append({'x':selection['x'],'y':selection['y']}) """ signalsellist.append(signalsel) sellist.append(sel) self.setSelected(sellist,reset=1) self.sigReplaceSelection.emit(signalsellist) def _add2DClicked(self, replace=False, emit=True): if DEBUG: print("ADD 2D clicked") if (self.data is None) or \ (self.currentArray is None): return #this is not very efficient because it could be cached #while this implies a new reading infoSource= self.data.getSourceInfo() sel = {} sel['SourceType'] = infoSource['SourceType'] sel['SourceName'] = self.data.sourceName sel['Key'] = infoSource['KeyList'][self.currentArray] f, i = sel['Key'].split(".") f = int(f) - 1 sel['legend'] = os.path.basename(self.data.sourceName[f]) +\ " "+ ("%s" % self.paramWidget.iCombo.currentText()) sel['selectiontype'] = '2D' sel['imageselection'] = True sel['mcaselection'] = False sel['scanselection'] = False sel['selection'] = None if emit: if replace: self.sigReplaceSelection.emit([sel]) else: self.sigAddSelection.emit([sel]) else: return [sel] def _remove2DClicked(self): if DEBUG: print("REMOVE 2D clicked") infoSource= self.data.getSourceInfo() sel = {} sel['SourceType'] = infoSource['SourceType'] sel['SourceName'] = self.data.sourceName sel['Key'] = infoSource['KeyList'][self.currentArray] f, i = sel['Key'].split(".") f = int(f) - 1 sel['legend'] = os.path.basename(self.data.sourceName[f]) +\ " "+ qt.safe_str(self.paramWidget.iCombo.currentText()) sel['selectiontype'] = '2D' sel['imageselection'] = True sel['mcaselection'] = False sel['scanselection'] = False sel['selection'] = None self.sigRemoveSelection.emit([sel]) def _replace2DClicked(self): if DEBUG: print("REPLACE 2D clicked") self._add2DClicked(replace=True) def currentSelectionList(self): a = self._addClicked(emit=False) if a in [None, []]: a = self._add2DClicked(emit=False) return a def _addClicked(self, emit=True): if DEBUG: print("select clicked") selkeys= self.__getSelectedKeys() if DEBUG: print("selected keys = ",selkeys) if len(selkeys): #self.eh.event(self.addEvent, selkeys) if DEBUG: print("Select event") if self.allImages: arraynamelist = self.data.getSourceInfo()['KeyList'] else: arraynamelist = [] for selection in selkeys: arraynamelist.append(selection['Key']) sellist=[] sellistsignal = [] for arrayname in arraynamelist: sel = {} sel['SourceType'] = SOURCE_TYPE for selection in selkeys: selsignal = {} selsignal['SourceType'] = self.data.sourceType selsignal['SourceName'] = self.data.sourceName selsignal['selection'] = None selsignal['Key'] = arrayname if not ('SourceName' in sel): sel['SourceName'] = selection['SourceName'] #arrayname = selection['Key'] if not ('Key' in sel): sel['Key'] = arrayname if not (arrayname in sel): sel[arrayname] = {'rows':[],'cols':[]} if selection['plot'] == 'cols': sel[arrayname]['cols'].append({'x':selection['x'], 'y':selection['y']}) selsignal["Key"] += ".c.%d" % int(selection['y']) i = int(selsignal["Key"].split(".")[0]) if i > 0: selsignal['legend'] = os.path.basename(self.data.sourceName[i-1]) +" "+selsignal['Key'] else: selsignal['legend'] = "EDF Stack "+ os.path.basename(self.data.sourceName[0])+\ " "+selsignal['Key'] if selection['plot'] == 'rows': sel[arrayname]['rows'].append({'x':selection['x'], 'y':selection['y']}) selsignal["Key"] += ".r.%d" % int(selection['y']) i = int(selsignal["Key"].split(".")[0]) if i > 0: selsignal['legend'] = os.path.basename(self.data.sourceName[i-1]) +\ " "+selsignal['Key'] else: selsignal['legend'] = "EDF Stack "+\ os.path.basename(self.data.sourceName[0])+\ " "+selsignal['Key'] sellistsignal.append(selsignal) sellist.append(sel) if self.selection is None: self.setSelected(sellist,reset=1) else: self.setSelected(sellist,reset=0) if emit: self.sigAddSelection.emit(sellistsignal) else: return sellistsignal def __getSelectedKeys(self): selkeys= [] parwid= self.paramWidget #.visibleWidget() if self.currentArray is not None: for sel in parwid.getSelection(): sel["SourceName"]= self.currentFile sel['SourceType'] = SOURCE_TYPE if 0: sel["Key"]= "%d" % self.currentArray else: keylist = self.data.getSourceInfo()['KeyList'] if self.currentArray == len(keylist): sel["Key"]= "0.0" else: sel["Key"]= keylist[self.currentArray] selkeys.append(sel) return selkeys def _removeClicked(self): if DEBUG: print("remove clicked") selkeys= self.__getSelectedKeys() returnedselection=[] signalsellist = [] if len(selkeys): #self.eh.event(self.delEvent, selkeys) if DEBUG: print("Remove Event") print("self.selection before = ",self.selection) if self.allImages: arraynamelist = self.data.getSourceInfo()['KeyList'] else: arraynamelist = [] for selection in selkeys: arraynamelist.append(selection['Key']) for arrayname in arraynamelist: for selection in selkeys: sel = {} i = 0 for sname in self.data.sourceName: if i == 0: selfdatasourceName = sname i = 1 else: selfdatasourceName += "|"+sname sel['SourceName'] = selfdatasourceName sel['SourceType'] = SOURCE_TYPE #sel['Key'] = selection['Key'] #arrayname = "%s" % selection['Key'] sel['Key'] = arrayname sel[arrayname] = {'rows':[],'cols':[]} if selection['plot'] == 'cols': sel[arrayname]['cols'].append({'x':selection['x'],'y':selection['y']}) if selection['plot'] == 'rows': sel[arrayname]['rows'].append({'x':selection['x'],'y':selection['y']}) if self.selection is not None: if DEBUG: print("step 1") if sel['SourceName'] in self.selection: if DEBUG: print("step 2") if arrayname in self.selection[sel['SourceName']]: if DEBUG: print("step 3") if 'rows' in self.selection[sel['SourceName']][arrayname]: if DEBUG: print("step 4") for couple in sel[arrayname]['rows']: if couple in self.selection[sel['SourceName']][arrayname]['rows']: index= self.selection[sel['SourceName']][arrayname]['rows'].index(couple) del self.selection[sel['SourceName']][arrayname]['rows'][index] signalsel = {} signalsel.update(sel) signalsel['SourceName'] = self.data.sourceName signalsel['Key'] += ".r.%d" % couple['y'] i = int(signalsel['Key'].split(".")[0]) if i > 0: signalsel['legend'] = os.path.basename(self.data.sourceName[i-1]) +" "+signalsel['Key'] else: signalsel['legend'] = "EDF Stack "+ \ os.path.basename(self.data.sourceName[0])+\ " "+signalsel['Key'] signalsellist.append(signalsel) for couple in sel[arrayname]['cols']: if couple in self.selection[sel['SourceName']][arrayname]['cols']: index= self.selection[sel['SourceName']][arrayname]['cols'].index(couple) del self.selection[sel['SourceName']][arrayname]['cols'][index] signalsel = {} signalsel.update(sel) signalsel['SourceName'] = self.data.sourceName signalsel['Key'] += ".c.%d" % couple['y'] i = int(signalsel['Key'].split(".")[0]) if i > 0: signalsel['legend'] = os.path.basename(self.data.sourceName[i-1]) +" "+signalsel['Key'] else: signalsel['legend'] = "EDF Stack "+ \ os.path.basename(self.data.sourceName[0])+\ " "+signalsel['Key'] signalsellist.append(signalsel) seln = {} seln['SourceName'] = sel['SourceName'] seln['SourceType'] = SOURCE_TYPE seln['Key'] = sel['Key'] seln[seln['Key']] = self.selection[seln['SourceName']][seln['Key']] self.setSelected([seln],reset=0) returnedselection.append(sel) self.sigRemoveSelection.emit(signalsellist) def removeSelection(self,selection): if type(selection) != type([]): selection=[selection] signalsellist = [] for sel in selection: arrayname = sel['Key'] if self.selection is not None: if DEBUG: print("step 1") if sel['SourceName'] in self.selection: if DEBUG: print("step 2") if arrayname in self.selection[sel['SourceName']]: if DEBUG: print("step 3") if 'rows' in self.selection[sel['SourceName']][arrayname]: if DEBUG: print("step 4") for couple in sel[arrayname]['rows']: if couple in self.selection[sel['SourceName']][arrayname]['rows']: index= self.selection[sel['SourceName']][arrayname]['rows'].index(couple) del self.selection[sel['SourceName']][arrayname]['rows'][index] signalsel = {} signalsel.update(sel) signalsel['SourceName'] = self.data.sourceName signalsel['Key'] += ".r.%d" % couple['y'] i = int(signalsel['Key'].split(".")[0]) if i > 0: signalsel['legend'] = os.path.basename(self.data.sourceName[i-1]) +" "+signalsel['Key'] else: signalsel['legend'] = "EDF Stack "+ \ os.path.basename(self.data.sourceName[0])+\ " "+signalsel['Key'] signalsellist.append(signalsel) for couple in sel[arrayname]['cols']: if couple in self.selection[sel['SourceName']][arrayname]['cols']: index= self.selection[sel['SourceName']][arrayname]['cols'].index(couple) del self.selection[sel['SourceName']][arrayname]['cols'][index] signalsel = {} signalsel.update(sel) signalsel['SourceName'] = self.data.sourceName signalsel['Key'] += ".r.%d" % couple['y'] i = int(signalsel['Key'].split(".")[0]) if i > 0: signalsel['legend'] = os.path.basename(self.data.sourceName[i-1]) +" "+signalsel['Key'] else: signalsel['legend'] = "EDF Stack "+ \ os.path.basename(self.data.sourceName[0])+\ " "+signalsel['Key'] signalsellist.append(signalsel) seln = {} seln['SourceName'] = sel['SourceName'] seln['SourceType'] = SOURCE_TYPE seln['Key'] = sel['Key'] seln[seln['Key']] = self.selection[seln['SourceName']][seln['Key']] self.setSelected([seln],reset=0) self.sigRemoveSelection.emit(signalsellist) def setSelected(self,sellist,reset=1): if DEBUG: print("setSelected(self,sellist,reset=1) called") print("sellist = ",sellist) print("selection before = ",self.selection) print("reset = ",reset) if reset: self.selection = {} elif self.selection is None: self.selection = {} for sel in sellist: specname = sel['SourceName'] if type(specname) == type([]): for i in range(len(sel['SourceName'])): if i == 0: specname = sel['SourceName'][i] else: specname += "|"+sel['SourceName'][i] #selkey is the array name what to do if multiple array names? if type(sel["Key"]) == type([]): selkey = sel["Key"][0] else: selkey = sel["Key"] if not (specname in self.selection): self.selection[specname]= {} if not (selkey in self.selection[specname]): self.selection[specname][selkey] = {'rows':[],'cols':[]} if 'rows' in sel[selkey]: for rowsel in sel[selkey]['rows']: if rowsel not in self.selection[specname][selkey]['rows']: self.selection[specname][selkey]['rows'].append(rowsel) if 'cols' in sel[selkey]: for rowsel in sel[selkey]['cols']: if rowsel not in self.selection[specname][selkey]['cols']: self.selection[specname][selkey]['cols'].append(rowsel) if DEBUG: print("self.selection after = ",self.selection) self.__refreshSelection() def getSelection(self): """ Give the dicionary of dictionaries as an easy to understand list of individual selections """ selection = [] if self.selection is None: return selection for sourcekey in self.selection.keys(): for arraykey in self.selection[sourcekey].keys(): sel={} sel['SourceName'] = sourcekey sel['SourceType'] = 'EdfFile' sel['Key'] = arraykey sel[arraykey] = self.selection[sourcekey][arraykey] selection.append(sel) return selection def __refreshSelection(self): if DEBUG: print("__refreshSelection(self) called") print(self.selection) print("self.data.SourceName = ",self.data.sourceName) if self.selection is not None: if self.data is None: return if self.data.sourceName is None: return if type(self.data.sourceName) == type([]): i = 0 for sname in self.data.sourceName: if i == 0: selfdatasourceName = sname i = 1 else: selfdatasourceName += "|"+sname else: selfdatasourceName = self.data.sourceName if "|" in self.data.sourceName: #print "here should be the multiple" #sel = self.selection.get(self.data.SourceName[0], {}) sel = self.selection.get(selfdatasourceName, {}) else: sel = self.selection.get(selfdatasourceName, {}) selkeys = [] for key in sel.keys(): if (sel[key]['rows'] != []) or (sel[key]['cols'] != []): selkeys.append(key) if DEBUG: print("selected images =",selkeys,"but self.selection = ",self.selection) print("and self.selection.get(self.data.SourceName, {}) =",sel) wid = self.__getParamWidget("array") wid.markImageSelected(selkeys) #imagedict = sel.get("%d" % self.currentArray, {}) keylist = self.data.getSourceInfo()['KeyList'] if self.currentArray == len(keylist): imagedict = sel.get("0.0",{}) else: imagedict = sel.get(keylist[self.currentArray],{}) if not ('rows' in imagedict): imagedict['rows'] = [] if not ('cols' in imagedict): imagedict['cols'] = [] rows = [] for ddict in imagedict['rows']: if 'y' in ddict: if ddict['y'] not in rows: rows.append(ddict['y']) wid.markRowSelected(rows) cols = [] for ddict in imagedict['cols']: if 'y' in ddict: if ddict['y'] not in cols: cols.append(ddict['y']) wid.markColSelected(cols) self.graph.clearMarkers() for i in rows: label = "R%d" % i marker=self.graph.insertYMarker(i, label, text=label, color='white') for i in cols: label = "C%d" % i marker=self.graph.insertXMarker(i, label, text=label, color='white') self.graph.replot() return def closeEvent(self, event): if self.colormapDialog is not None: self.colormapDialog.close() if self._matplotlibSaveImage is not None: self._matplotlibSaveImage.close() qt.QWidget.closeEvent(self, event) def test2(): a= qt.QApplication(sys.argv) a.lastWindowClosed.connect(a.quit) w = EdfFile_StandardArray() w.show() a.exec_() def test(): import sys from PyMca5.PyMcaCore import EdfFileDataSource def replaceSelection(sel): print("replaceSelection", sel) def removeSelection(sel): print("removeSelection", sel) def addSelection(sel): print("addSelection", sel) a= qt.QApplication(sys.argv) a.lastWindowClosed.connect(a.quit) w = QEdfFileWidget() #print w if len(sys.argv) > 1: d = EdfFileDataSource.EdfFileDataSource([sys.argv[1]]) elif os.path.exists('test.edf'): d = EdfFileDataSource.EdfFileDataSource(['test.edf']) else: print("Usage:") print("python QEdfFileWidget edffile") sys.exit(0) w.setDataSource(d) w.sigAddSelection.connect(addSelection) w.sigRemoveSelection.connect(removeSelection) w.sigReplaceSelection.connect(replaceSelection) w.show() a.exec_() if __name__=="__main__": test() ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/io/SpecFileMcaTable.py�������������������������������������������������0000644�0002763�0000175�00000016503�13136054446�021556� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # Copyright (C) 2004-2014 E. Papillon, V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "E. Papillon, V.A. Sole - ESRF Software Group" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys from PyMca5.PyMcaGui import PyMcaQt as qt QTVERSION = qt.qVersion() DEBUG = 0 class SpecFileMcaTable(qt.QWidget): sigMcaDeviceSelected = qt.pyqtSignal(object) def __init__(self, parent=None): qt.QWidget.__init__(self, parent) self.l = qt.QVBoxLayout(self) self.table= qt.QTableWidget(self) self.table.setColumnCount(1) self.table.setRowCount(0) item = self.table.horizontalHeaderItem(0) if item is None: item = qt.QTableWidgetItem("No MCA for the selected scan", qt.QTableWidgetItem.Type) self.table.setHorizontalHeaderItem(0,item) self.table.resizeColumnToContents(0) self.table.setEditTriggers(qt.QAbstractItemView.NoEditTriggers) self.table.setSelectionMode(qt.QAbstractItemView.MultiSelection) self.l.addWidget(self.table) #self.table.cellActivated[int, int].connect(self._cellActivated) self.table.cellClicked[int, int].connect(self._cellClicked) self.table.cellDoubleClicked[int, int].connect(self._cellDoubleClicked) self.table._hHeader = self.table.horizontalHeader() self.table._hHeader.sectionClicked[int].connect(self._horizontalHeaderClicked) self.table._hHeader.menu = qt.QMenu() self.table._hHeader.menu.addAction('ADD Image') self.table._hHeader.menu.addAction('REMOVE Image') self.table._hHeader.menu.addAction('REPLACE Image') self.table._hHeader.menu.addAction('ADD Stack') def _horizontalHeaderClicked(self, value): if value < 0: return item = self.table.horizontalHeaderItem(value) text = str(item.text()) if text.startswith("No MCA for"): return action = self.table._hHeader.menu.exec_(self.cursor().pos()) if action is None: return txt = str(action.text()) ddict = {} ddict['event'] = 'McaDeviceSelected' ddict['mca'] = value ddict['action'] = txt self.sigMcaDeviceSelected.emit(ddict) def build(self, info): if info['NbMca'] > 0: ncol = int(info['NbMcaDet']) else: ncol = 1 nrow = info['NbMca']/ncol self.table.setColumnCount(ncol) self.table.setRowCount(nrow) if nrow == 0: item = self.table.horizontalHeaderItem(0) item.setText("No MCA for the selected scan") self.table.resizeColumnToContents(0) return for c in range(ncol): text = "Mca %d" % (c+1) item = self.table.horizontalHeaderItem(c) if item is None: item = qt.QTableWidgetItem(text, qt.QTableWidgetItem.Type) self.table.setHorizontalHeaderItem(c,item) else: item.setText(text) self.table.resizeColumnToContents(c) if nrow == 1: if ncol == 1: item = self.table.item(0, 0) if item is None: item = qt.QTableWidgetItem('', qt.QTableWidgetItem.Type) self.table.setItem(0, 0, item) item.setSelected(True) def _toggleCell(self, row, col): item = self.table.item(row, col) if item is None: item = qt.QTableWidgetItem('X', qt.QTableWidgetItem.Type) self.table.setItem(row, col, item) return text = str(item.text()) if text == "X": item.setText("") else: item.setText("X") def _cellClicked(self, row, col): if DEBUG: print("_cellClicked %d %d " % (row, col)) item = self.table.item(row, col) if item is None: item = qt.QTableWidgetItem('',qt.QTableWidgetItem.Type) self.table.setItem(row, col, item) def _cellDoubleClicked(self, row, col): if DEBUG: print("_cellDoubleClicked %d %d" % (row, col)) #self._toggleCell(row, col) pass def getCurrentlySelectedMca(self): mca = [] for item in self.table.selectedItems(): row = self.table.row(item) col = self.table.column(item) mca.append("%d.%d" % (row+1, col+1)) return mca def getSelectedMca(self): mca = self.getCurrentlySelectedMca() # They may be not X marked for r in range(self.table.rowCount()): for c in range(self.table.ColumnCount()): item = self.table.item(r, c) if item is not None: text = str(item.text) if text == "X": new = "%d.%d" % (r+1, c+1) if new not in mca: mca.append(new) return mca def setSelectedMca(self, mcalist): for r in range(self.table.rowCount()): for c in range(self.table.columnCount()): item = self.table.item(r, c) new = "%d.%d" % (r+1, c+1) if item is not None: if new not in mcalist: item.setText("") else: item.setText("X") else: if new in mcalist: self._toggleCell(r, c) def test(): import sys from PyMca5.PyMcaCore import SpecFileLayer app = qt.QApplication([]) tab = SpecFileMcaTable() d = SpecFileLayer.SpecFileLayer() if len(sys.argv) > 1: d.SetSource(sys.argv[1]) else: d.SetSource('03novs060sum.mca') info, data = d.LoadSource('1.1') tab.build(info) tab.setSelectedMca(["1.1"]) tab.show() app.exec_() if __name__ == "__main__": test() ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/io/QSpsWidget.py�������������������������������������������������������0000644�0002763�0000175�00000150673�13136054446�020534� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # Copyright (C) 2004-2016 E. Papillon, V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "E. Papillon, V.A. Sole - ESRF Software Group" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys from PyMca5.PyMcaIO import spswrap as sps from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaGui.io import SpecFileCntTable from PyMca5.PyMcaGui import MaskImageWidget QTVERSION = qt.qVersion() from PyMca5.PyMcaGui import PyMca_Icons as icons DEBUG = 0 SOURCE_TYPE = 'SPS' SCAN_MODE = True if QTVERSION > '4.0.0': class QGridLayout(qt.QGridLayout): def addMultiCellWidget(self, w, r0, r1, c0, c1, *var): self.addWidget(w, r0, c0, 1 + r1 - r0, 1 + c1 - c0) class SPSFramesMcaWidget(qt.QWidget): def __init__(self, parent=None): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(0) self.graphWidget = MaskImageWidget.MaskImageWidget(self, imageicons=False, selection=False) self.graph = self.graphWidget.graphWidget.graph self.mainLayout.addWidget(self.graphWidget) def setInfo(self, info): self.setDataSize(info["rows"], info["cols"]) self.setTitle(info["Key"]) self.info=info def setDataSource(self, data): self.data = data self.data.sigUpdated.connect(self._update) dataObject = self._getDataObject() self.graphWidget.setImageData(dataObject.data) self.lastDataObject = dataObject def _update(self, ddict): targetwidgetid = ddict.get('targetwidgetid', None) if targetwidgetid not in [None, id(self)]: return dataObject = self._getDataObject(ddict['Key'], selection=None) if dataObject is not None: self.graphWidget.setImageData(dataObject.data) self.lastDataObject = dataObject def _getDataObject(self, key=None, selection=None): if key is None: key = self.info['Key'] dataObject = self.data.getDataObject(key, selection=None, poll=False) if dataObject is not None: dataObject.info['legend'] = self.info['Key'] dataObject.info['imageselection'] = False dataObject.info['scanselection'] = False dataObject.info['targetwidgetid'] = id(self) self.data.addToPoller(dataObject) return dataObject def setDataSize(self,rows,cols,selsize=None): self.rows= rows self.cols= cols if self.cols<=self.rows: self.idx='cols' else: self.idx='rows' def setTitle(self, title): self.graph.setTitle("%s"%title) def getSelection(self): keys = {"plot":self.idx,"x":0,"y":1} return [keys] class SPSScanArrayWidget(SpecFileCntTable.SpecFileCntTable): def setInfo(self, info): if DEBUG: print("info = ", info) if "LabelNames" in info: # new style cntList = info.get("LabelNames", []) self.build(cntList) return elif "envdict" in info: # old style if len(info["envdict"].keys()): #We have environment information if "datafile" in info["envdict"]: if info["envdict"]["datafile"] != "/dev/null": if DEBUG: print("I should send a signal, either from here or from the parent to the dispatcher") if DEBUG: print("SPEC data file = %s" % datafile) #usefull keys = ["datafile", "scantype", "axistitles","plotlist", "xlabel", "ylabel"] # #info = self.data.getKeyInfo(sel[0]) #except: # info, data = self.data.LoadSource(sel[0]) cntList = info.get("LabelNames", []) ycntidx = info["envdict"].get('plotlist', "") if len(ycntidx): ycntidx = ycntidx.split(',') self.build(cntList) #self.cntTable.setCounterSelection(self._oldCntSelection) return if info['cols'] > 0: #arrayname = info['Key'] arrayname = 'Column' cntList = [] for i in range(info['cols']): cntList.append('%s_%03d' % (arrayname, i)) self.build(cntList) def getSelection(self): #get selected counter keys cnt_sel = self.getCounterSelection() sel_list = [] #build the appropriate selection for mca's if len(cnt_sel['cntlist']): if len(cnt_sel['y']): #if there is something to plot for index in cnt_sel['y']: sel = {} sel['selection'] = {} sel['plot'] = 'scan' sel['scanselection'] = True sel['selection']['x'] = cnt_sel['x'] sel['selection']['y'] = [index] sel['selection']['m'] = cnt_sel['m'] sel['selection']['cntlist'] = cnt_sel['cntlist'] sel_list.append(sel) return sel_list class SPSMcaArrayWidget(qt.QWidget): def __init__(self, parent=None, name="SPS_MCA_DATA", fl=0, title="MCA", size=(0,8192)): if QTVERSION < '4.0.0': qt.QWidget.__init__(self, parent, name, fl) layout= qt.QGridLayout(self, 5, 2) else: qt.QWidget.__init__(self, parent) self.setWindowTitle(name) layout= QGridLayout(self) layout.setContentsMargins(5, 5, 5, 5) layout.setSpacing(0) self.title= qt.QLabel(self) font= self.title.font() font.setBold(1) self.title.setFont(font) if QTVERSION < '4.0.0': layout.addMultiCellWidget(self.title, 0, 0, 0, 1, qt.Qt.AlignCenter) layout.addRowSpacing(0, 40) else: #layout.addMultiCellWidget(self.title, 0, 0, 0, 1, qt.Qt.AlignCenter) layout.addWidget(self.title, 0, 0) layout.setAlignment(self.title, qt.Qt.AlignCenter) self.setTitle(title) def setInfo(self, info): self.setDataSize(info["rows"], info["cols"]) self.setTitle(info["Key"]) def setDataSize(self,rows,cols,selsize=None): self.rows= rows self.cols= cols if self.cols<=self.rows: self.idx='cols' else: self.idx='rows' def setTitle(self, title): self.title.setText("%s"%title) def getSelection(self): keys = {"plot":self.idx,"x":0,"y":1} return [keys] class SPSXiaArrayWidget(qt.QWidget): def __init__(self, parent=None, name="SPS_XIA_DATA", fl=0, title="XIA", size=(0,8192)): if QTVERSION < '4.0.0': qt.QWidget.__init__(self, parent, name, fl) layout= qt.QGridLayout(self, 2, 1) else: qt.QWidget.__init__(self, parent) layout= qt.QGridLayout(self) layout.setContentsMargins(5, 5, 5, 5) layout.setSpacing(0) self.title= qt.QLabel(self) font= self.title.font() font.setBold(1) self.title.setFont(font) self.title.setText(title) if QTVERSION < '4.0.0': self.detList= qt.QListBox(self) self.detList.setSelectionMode(qt.QListBox.Multi) layout.addWidget(self.title, 0, 0, qt.Qt.AlignCenter) layout.addRowSpacing(0, 40) layout.addWidget(self.detList, 1, 0) else: self.detList= qt.QListWidget(self) self.detList.setSelectionMode(qt.QAbstractItemView.ExtendedSelection) layout.addWidget(self.title, 0, 0) layout.setAlignment(self.title, qt.Qt.AlignCenter) ##layout.addRowSpacing(0, 40) if DEBUG: print("row spacing") layout.addWidget(self.detList, 1, 0) def setTitle(self, title): self.title.setText("%s"%title) def setInfo(self, info): self.setDataSize(info["rows"], info["cols"], info.get("Detectors", None)) self.setTitle(info["Key"]) def setDataSize(self, rows, cols, dets=None): self.rows= rows self.cols= cols if dets is None or (len(dets)!=(rows-1)): dets= range(self.rows) self.detList.clear() if QTVERSION < '4.0.0': for idx in range(1, self.rows): self.detList.insertItem("Detector %d"%dets[idx-1]) else: for idx in range(1, self.rows): self.detList.addItem("Detector %d"%dets[idx-1]) def getSelection(self): selection= [] if QTVERSION < '4.0.0': ylist= [ (idx+1) for idx in range(self.detList.count()) if self.detList.isSelected(idx) ] else: itemlist = self.detList.selectedItems() ylist = [int(str(item.text()).split()[-1]) for item in itemlist] for y in ylist: selection.append({"plot":"XIA", "x":0, "y":y}) return selection class SPS_ImageArray(qt.QWidget): def __init__(self, parent=None, name="SPS_ImageArray", fl=0, title="MCA", size=(0,8192)): if QTVERSION < '4.0.0': qt.QWidget.__init__(self, parent, name, fl) layout= qt.QGridLayout(self, 5, 2) else: qt.QWidget.__init__(self, parent) self.setWindowTitle(name) layout= QGridLayout(self) layout.setContentsMargins(5, 5, 5, 5) layout.setSpacing(0) self.title= qt.QLabel(self) font= self.title.font() font.setBold(1) self.title.setFont(font) if QTVERSION < '4.0.0': layout.addMultiCellWidget(self.title, 0, 0, 0, 1, qt.Qt.AlignCenter) layout.addRowSpacing(0, 40) else: #layout.addMultiCellWidget(self.title, 0, 0, 0, 1, qt.Qt.AlignCenter) layout.addWidget(self.title, 0, 0) layout.setAlignment(self.title, qt.Qt.AlignCenter) self.setTitle(title) def setInfo(self, info): self.setDataSize(info["rows"], info["cols"]) self.setTitle(info["Key"]) def setDataSize(self,rows,cols,selsize=None): self.rows= rows self.cols= cols def setTitle(self, title): self.title.setText("%s"%title) def getSelection(self): #get selected counter keys sel_list = [] sel = {} sel['selection'] = {} sel['plot'] = 'image' sel['scanselection'] = False sel['selection'] = None sel_list.append(sel) return sel_list class SPS_StandardArray(qt.QWidget): def __init__(self, parent=None, name="SPS_StandardArray", fl=0, rows=0, cols=0): if QTVERSION < '4.0.0': qt.QWidget.__init__(self, parent, name, fl) layout= qt.QGridLayout(self, 4, 2) else: qt.QWidget.__init__(self, parent) layout= qt.QGridLayout(self) layout.setContentsMargins(5, 5, 5, 5) layout.setSpacing(0) plab= qt.QLabel("Plot", self) xlab= qt.QLabel("X :", self) ylab= qt.QLabel("Y :", self) layout.addWidget(plab, 0, 0, qt.Qt.AlignRight) layout.addWidget(xlab, 1, 0, qt.Qt.AlignRight) layout.addWidget(ylab, 2, 0, qt.Qt.AlignRight|qt.Qt.AlignTop) self.plotCombo= qt.QComboBox(self) self.plotCombo.setEditable(0) if QTVERSION < '4.0.0': self.plotCombo.insertItem("Rows") self.plotCombo.insertItem("Columns") else: self.plotCombo.addItem("Rows") self.plotCombo.addItem("Columns") self.xCombo= qt.QComboBox(self) self.xCombo.setEditable(0) if QTVERSION < '4.0.0': self.yList= qt.QListBox(self) self.yList.setSelectionMode(qt.QListBox.Multi) else: self.yList= qt.QListWidget(self) self.yList.setSelectionMode(qt.QAbstractItemView.ExtendedSelection) layout.addWidget(self.plotCombo, 0, 1) layout.addWidget(self.xCombo, 1, 1) layout.addWidget(self.yList, 2, 1) self.plotCombo.activated[int].connect(self.__plotChanged) self.setDataSize(rows, cols) def setDataSize(self, rows, cols): self.rows= rows self.cols= cols idx= self.cols<=self.rows self.plotCombo.setCurrentIndex(idx) self.__plotChanged(idx) def __plotChanged(self, index): if index==1: txt= "Column" val= self.cols else: txt= "Row" val= self.rows self.xCombo.clear() if QTVERSION < '4.0.0': self.xCombo.insertItem("Array Index") self.yList.clear() for x in range(val): self.xCombo.insertItem("%s %d"%(txt,x)) self.yList.insertItem("%s %d"%(txt,x)) if val==2: self.xCombo.setCurrentItem(0) self.__xChanged(0) else: self.xCombo.addItem("Array Index") self.yList.clear() for x in range(val): self.xCombo.addItem("%s %d"%(txt,x)) self.yList.addItem("%s %d"%(txt,x)) if val==2: self.xCombo.setCurrentIndex(0) self.__xChanged(0) def __xChanged(self, index): pass def getSelection(self): selection= [] if QTVERSION < '4.0.0': idx= self.plotCombo.currentItem() else: idx= self.plotCombo.currentIndex() if idx==1: plot= "cols" else: plot= "rows" if QTVERSION < '4.0.0': idx= self.xCombo.currentItem() else: idx= self.xCombo.currentIndex() if idx==0: x= None else: x= idx-1 if QTVERSION < '4.0.0': ylist= [ idx for idx in range(self.yList.count()) if self.yList.isSelected(idx) ] else: itemlist = self.yList.selectedItems() ylist = [int(str(item.text()).split()[-1]) for item in itemlist] for y in ylist: selection.append({"plot":plot, "x":x, "y":y}) return selection class QSpsWidget(qt.QWidget): HiddenArrays= ["MCA_DATA_PARAM", "XIA_STAT", "XIA_DET"] WidgetArrays= {"scan":SPSScanArrayWidget, "xia": SPSXiaArrayWidget, "mca": SPSMcaArrayWidget, "array": SPS_StandardArray, "image": SPS_ImageArray, "frames_mca":SPSFramesMcaWidget, "frames_image":qt.QWidget, "empty": qt.QWidget} TypeArrays= {"MCA_DATA": "mca", "XIA_PLOT": "mca", "XIA_DATA": "xia", "XIA_BASELINE":"xia", "SCAN_D": "scan", "image_data":"image" } sigAddSelection = qt.pyqtSignal(object) sigRemoveSelection = qt.pyqtSignal(object) sigReplaceSelection = qt.pyqtSignal(object) sigOtherSignals = qt.pyqtSignal(object) def __init__(self, parent=None, name="SPSSelector", fl=0): if QTVERSION < '4.0.0': qt.QWidget.__init__(self, parent, name, fl) else: qt.QWidget.__init__(self, parent) self.dataSource= None self.data= None self.currentSpec= None self.currentArray= None self.selection= None self.openFile = self.refreshSpecList self.selectPixmap= qt.QPixmap(icons.selected) self.unselectPixamp= qt.QPixmap(icons.unselected) mainLayout= qt.QVBoxLayout(self) # --- spec name selection specWidget= qt.QWidget(self) self.specCombo= qt.QComboBox(specWidget) self.specCombo.setEditable(0) if QTVERSION < '4.0.0': self.reload_= qt.QIconSet(qt.QPixmap(icons.reload_)) refreshButton= qt.QToolButton(specWidget) refreshButton.setIconSet(self.reload_) self.closeIcon= qt.QIconSet(qt.QPixmap(icons.fileclose)) closeButton= qt.QToolButton(specWidget) closeButton.setIconSet(self.closeIcon) else: self.reload_= qt.QIcon(qt.QPixmap(icons.reload_)) refreshButton= qt.QToolButton(specWidget) refreshButton.setIcon(self.reload_) self.closeIcon= qt.QIcon(qt.QPixmap(icons.fileclose)) closeButton= qt.QToolButton(specWidget) closeButton.setIcon(self.closeIcon) refreshButton.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Fixed, qt.QSizePolicy.Minimum)) closeButton.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Fixed, qt.QSizePolicy.Minimum)) specLayout= qt.QHBoxLayout(specWidget) specLayout.addWidget(self.specCombo) specLayout.addWidget(refreshButton) specLayout.addWidget(closeButton) refreshButton.clicked.connect(self.refreshSpecList) closeButton.clicked.connect(self.closeCurrentSpec) self.specCombo.activated[str].connect(self.refreshArrayList) # --- splitter self.splitter= qt.QSplitter(self) self.splitter.setOrientation(qt.Qt.Vertical) # --- shm array list self.arrayList= qt.QTreeWidget(self.splitter) labels = ["","Array Name", "Rows","Cols"] self.arrayList.setColumnCount(len(labels)) self.arrayList.setHeaderLabels(labels) self.arrayList.setSelectionMode(qt.QAbstractItemView.SingleSelection) self.arrayList.itemSelectionChanged[()].connect(self.__arraySelection) # --- array parameter self.paramIndex= {} self.paramWidget= qt.QStackedWidget(self.splitter) for wtype in self.WidgetArrays.keys(): widclass= self.WidgetArrays[wtype] wid= widclass(self.paramWidget) self.paramWidget.addWidget(wid) self.paramIndex[wtype]= self.paramWidget.indexOf(wid) # --- command buttons butWidget= qt.QWidget(self) butWidget.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Minimum, qt.QSizePolicy.Minimum)) addButton= qt.QPushButton("Add", butWidget) removeButton= qt.QPushButton("Remove", butWidget) replaceButton= qt.QPushButton("Replace", butWidget) butLayout= qt.QHBoxLayout(butWidget) butLayout.addWidget(addButton) butLayout.addWidget(removeButton) butLayout.addWidget(replaceButton) butLayout.setContentsMargins(5, 5, 5, 5) addButton.clicked.connect(self.__addClicked) replaceButton.clicked.connect(self.__replaceClicked) removeButton.clicked.connect(self.__removeClicked) # --- main layout mainLayout.setContentsMargins(5, 5, 5, 5) mainLayout.setSpacing(5) mainLayout.addWidget(specWidget) if __name__ != "__main__": specWidget.hide() mainLayout.addWidget(self.splitter) mainLayout.addWidget(butWidget) def setData(self,data=None): if DEBUG: print("setData(self, data) called") print("spec data = ",data) self.data= data self.refreshSpecList() self.refreshDataSelection() def setDataSource(self,data=None): if DEBUG: print("setDataSource(self, data) called") print("spec data = ",data) self.data= data self.refreshSpecList() self.refreshDataSelection() if data is None: self.arrayList.clear() else: self.refreshArrayList(data.sourceName) def refreshSpecList(self): speclist= sps.getspeclist() if self.specCombo.count(): selected= str(self.specCombo.currentText()) else: selected= None self.specCombo.clear() if len(speclist): for spec in speclist: if QTVERSION < '4.0.0': self.specCombo.insertItem(spec) else: self.specCombo.addItem(spec) self.selectSpec(selected or speclist[0]) def selectSpec(self, specname=None): if QTVERSION < '4.0.0': for idx in range(self.specCombo.count()): if str(self.specCombo.text(idx))==specname: self.specCombo.setCurrentItem(idx) else: for idx in range(self.specCombo.count()): if str(self.specCombo.itemText(idx))==specname: self.specCombo.setCurrentIndex(idx) def __getCurrentSpec(self): if self.specCombo.count(): return str(self.specCombo.currentText()) else: return None def refreshDataSelection(self, source=None): spec= self.__getCurrentSpec() if spec is not None and self.dataSource is not None: arraylist= self.dataSource.GetDataList(spec) item= self.arrayList.firstChild() while item is not None: name= str(item.text(1)) if name in arraylist: item.setPixmap(0, self.selectPixmap) else: item.setPixmap(0, self.unselectPixmap) item= item.nextSibling() def closeCurrentSpec(self): spec= self.__getCurrentSpec() if spec is not None and self.dataSource is not None: arraylist= self.DataSource.GetDataList(spec) if len(arraylist): msg= "%d spectrums are linked to that SPEC source.\n"%(len(arraylist)) msg+= "Do you really want to delete all these spectrums ??" ans= qt.QMessageBox.information(self, "Remove Spec Shared %s"%spec, msg, \ qt.QMessageBox.No, qt.QMessageBox.Yes) if ans.qt.QMessageBox.Yes: self.dataSource.RemoveData(spec) def refreshArrayList(self,qstring): self.arrayList.clear() #spec= self.__getCurrentSpec() self.currentSpec = str(qstring) spec = self.currentSpec if spec is not None: arraylist= {} for array in sps.getarraylist(spec): if array not in self.HiddenArrays: info= sps.getarrayinfo(spec, array) rows= info[0] cols= info[1] type= info[2] flag= info[3] if DEBUG: print(" array = ", array) print(" flag = ", flag) print(" type = ", type) if type!=sps.STRING: if (flag & sps.TAG_ARRAY) == sps.TAG_ARRAY: arraylist[array]= (rows, cols) if len(arraylist.keys()): arrayorder= list(arraylist.keys()) arrayorder.sort() arrayorder.reverse() if QTVERSION < '4.0.0': for name in arrayorder: self.arrayList.insertItem(qt.QListViewItem(self.arrayList, "", name, str(arraylist[name][0]), str(arraylist[name][1]))) else: for name in arrayorder: item = (qt.QTreeWidgetItem(self.arrayList, ["", name, str(arraylist[name][0]), str(arraylist[name][1])])) self.refreshDataSelection() self.__getParamWidget("empty") def __arraySelection(self): """ Method called when selecting an array in the view """ item= self.arrayList.selectedItems() if len(item): item = item[0] self.currentArray= str(item.text(1)) else: #click on empty space return #self.data.SetSource(self.currentSpec) #self.data.LoadSource(self.currentArray) info= self.data.getKeyInfo(self.currentArray) wid= None atype = None if 0 and ((info['flag'] & sps.TAG_FRAMES) == sps.TAG_FRAMES) and\ ((info['flag'] & sps.TAG_IMAGE) == sps.TAG_IMAGE): atype = "frames_image" elif ((info['flag'] & sps.TAG_FRAMES) == sps.TAG_FRAMES) and\ ((info['flag'] & sps.TAG_MCA) == sps.TAG_MCA): atype = "frames_mca" elif (info['flag'] & sps.TAG_IMAGE) == sps.TAG_IMAGE: atype = "image" elif (info['flag'] & sps.TAG_MCA) == sps.TAG_MCA: atype = "mca" elif (info['flag'] & sps.TAG_SCAN) == sps.TAG_SCAN: atype = "scan" elif (info['rows'] > 100) and (info['cols'] > 100): atype = "image" if atype is not None: wid= self.__getParamWidget(atype) wid.setInfo(info) if hasattr(wid, "setDataSource"): wid.setDataSource(self.data) else: for (array, atype) in self.TypeArrays.items(): if self.currentArray[0:len(array)]==array: wid= self.__getParamWidget(atype) wid.setInfo(info) if hasattr(wid, "setDataSource"): wid.setDataSource(self.data) break if wid is None: arrayType = "ARRAY" wid= self.__getParamWidget("array") wid.setDataSize(info["rows"], info["cols"]) else: arrayType = atype.upper() #emit a selection to inform about the change ddict = {} ddict['SourceName'] = self.data.sourceName ddict['SourceType'] = self.data.sourceType ddict['event'] = "SelectionTypeChanged" if arrayType in ["IMAGE"]: ddict['SelectionType'] = self.data.sourceName +" "+self.currentArray elif arrayType in ["MCA", "XIA"]: ddict['SelectionType'] = "MCA" elif arrayType in ["ARRAY"]: ddict['SelectionType'] = "MCA" else: ddict['SelectionType'] = arrayType self.sigOtherSignals.emit(ddict) def __getParamWidget(self, widtype): wid= self.paramWidget.currentWidget() if self.paramWidget.indexOf(wid) != self.paramIndex[widtype]: self.paramWidget.setCurrentIndex(self.paramIndex[widtype]) wid = self.paramWidget.currentWidget() return wid def __replaceClicked(self): if DEBUG: print("replace clicked") selkeys= self.__getSelectedKeys() if len(selkeys): #self.eh.event(self.repEvent, selkeys) if DEBUG: print("Replace event") sel = {} sel['SourceType'] = SOURCE_TYPE sellistsignal = [] for selection in selkeys: selsignal = {} selsignal['SourceType'] = self.data.sourceType selsignal['SourceName'] = self.data.sourceName selsignal['selection'] = None selsignal['Key'] = selection['Key'] if 'SourceName' not in sel: sel['SourceName'] = selection['SourceName'] arrayname = selection['Key'] if 'Key' not in sel: sel['Key'] = selection['Key'] if arrayname not in sel: sel[arrayname] = {'rows':[],'cols':[]} if selection['plot'] == 'cols': selsignal["selection"] = {"cols":{}} selsignal["selection"]["cols"] = {} selsignal["selection"]["cols"]["x"] = [selection['x']] selsignal["selection"]["cols"]["y"] = [selection['y']] if type(self.data.sourceName) == type(''): sname = [self.data.sourceName] else: sname = self.data.sourceName selsignal["legend"] = sname[0] +\ " "+selsignal['Key']+\ ".c.%d" % int(selection['y']) sel[arrayname]['cols'].append({'x':selection['x'],'y':selection['y']}) elif selection['plot'] == 'rows': sel[arrayname]['rows'].append({'x':selection['x'],'y':selection['y']}) selsignal["selection"] = {"rows":{}} selsignal["selection"]["rows"] = {} selsignal["selection"]["rows"]["x"] = [selection['x']] selsignal["selection"]["rows"]["y"] = [selection['y']] if type(self.data.sourceName) == type(''): sname = [self.data.sourceName] else: sname = self.data.sourceName selsignal["legend"] = sname[0] +\ " "+selsignal['Key']+\ ".r.%d" % int(selection['y']) elif selection['plot'] == 'XIA': sel[arrayname]['rows'].append({'x':selection['x'], 'y':selection['y']}) #selsignal["Key"] += ".r.%d" % int(selection['y']) selsignal["selection"] = {"rows":{}, "XIA":True} selsignal["selection"]["rows"] = {} selsignal["selection"]["rows"]["x"] = [selection['x']] selsignal["selection"]["rows"]["y"] = [selection['y']] if type(self.data.sourceName) == type(''): sname = [self.data.sourceName] else: sname = self.data.sourceName selsignal["legend"] = sname[0] +\ " "+selsignal['Key']+\ " #%02d" % int(selection['y']) elif selection['plot'] == 'scan': if SCAN_MODE: #sel[arrayname]['cols'].append({'x':selection['selection']['x'][0], # 'y':selection['selection']['y'][0]}) selsignal["selection"] = selection['selection'] selsignal['legend'] = self.data.sourceName + " " + \ selsignal['Key'] selsignal['scanselection'] = True #print "cheeting" #selsignal['scanselection'] = False else: #do it as a col sel[arrayname]['cols'].append({'x':selection['selection']['x'], 'y':selection['selection']['y']}) selsignal["selection"] = {'cols':{}} selsignal["selection"]["cols"]["x"] = selection['selection']['x'] selsignal["selection"]["cols"]["y"] = selection['selection']['y'] selsignal['legend'] = self.data.sourceName + " " + \ selsignal['Key'] selsignal['scanselection'] = True #print "cheeting" #selsignal['scanselection'] = False elif selection['plot'] == 'image': selsignal["selection"] = selection['selection'] selsignal['legend'] = self.data.sourceName + " " + \ selsignal['Key'] selsignal['scanselection'] = False selsignal['imageselection'] = True sellistsignal.append(selsignal) self.setSelected([sel],reset=1) self.sigReplaceSelection.emit(sellistsignal) def currentSelectionList(self): return self._addCliked(emit = False) def __addClicked(self): return self._addClicked() def _addClicked(self, emit=True): if DEBUG: print("select clicked") selkeys= self.__getSelectedKeys() if DEBUG: print("selected keys = ",selkeys ) if len(selkeys): #self.eh.event(self.addEvent, selkeys) if DEBUG: print("Select event") sel = {} sel['SourceType'] = SOURCE_TYPE sellistsignal = [] for selection in selkeys: selsignal = {} selsignal['SourceType'] = self.data.sourceType selsignal['SourceName'] = self.data.sourceName selsignal['selection'] = None selsignal['Key'] = selection['Key'] if 'SourceName' not in sel: sel['SourceName'] = selection['SourceName'] arrayname = selection['Key'] if 'Key' not in sel: sel['Key'] = selection['Key'] if arrayname not in sel: sel[arrayname] = {'rows':[],'cols':[]} if selection['plot'] == 'XIA': sel[arrayname]['rows'].append({'x':selection['x'], 'y':selection['y']}) #selsignal["Key"] += ".r.%d" % int(selection['y']) selsignal["selection"] = {"rows":{}, "XIA":True} selsignal["selection"]["rows"] = {} selsignal["selection"]["rows"]["x"] = [selection['x']] selsignal["selection"]["rows"]["y"] = [selection['y']] if type(self.data.sourceName) == type(''): sname = [self.data.sourceName] else: sname = self.data.sourceName selsignal["legend"] = sname[0] +\ " "+selsignal['Key']+\ " #%02d" % int(selection['y']) elif selection['plot'] == 'cols': sel[arrayname]['cols'].append({'x':selection['x'], 'y':selection['y']}) #selsignal["Key"] += ".c.%d" % int(selection['y']) selsignal["selection"] = {"cols":{}} selsignal["selection"]["cols"] = {} selsignal["selection"]["cols"]["x"] = [selection['x']] selsignal["selection"]["cols"]["y"] = [selection['y']] if type(self.data.sourceName) == type(''): sname = [self.data.sourceName] else: sname = self.data.sourceName selsignal["legend"] = sname[0] +\ " "+selsignal['Key']+\ ".c.%d" % int(selection['y']) elif selection['plot'] == 'rows': sel[arrayname]['rows'].append({'x':selection['x'], 'y':selection['y']}) #selsignal["Key"] += ".r.%d" % int(selection['y']) selsignal["selection"] = {"rows":{}} selsignal["selection"]["rows"] = {} selsignal["selection"]["rows"]["x"] = [selection['x']] selsignal["selection"]["rows"]["y"] = [selection['y']] if type(self.data.sourceName) == type(''): sname = [self.data.sourceName] else: sname = self.data.sourceName selsignal["legend"] = sname[0] +\ " "+selsignal['Key']+\ ".r.%d" % int(selection['y']) elif selection['plot'] == 'scan': if SCAN_MODE: #sel[arrayname]['cols'].append({'x':selection['selection']['x'][0], # 'y':selection['selection']['y'][0]}) selsignal["selection"] = selection['selection'] selsignal['legend'] = self.data.sourceName + " " + \ selsignal['Key'] selsignal['scanselection'] = True #print "cheeting" #selsignal['scanselection'] = False else: #do it as a col sel[arrayname]['cols'].append({'x':selection['selection']['x'], 'y':selection['selection']['y']}) selsignal["selection"] = {'cols':{}} selsignal["selection"]["cols"]["x"] = selection['selection']['x'] selsignal["selection"]["cols"]["y"] = selection['selection']['y'] selsignal['legend'] = self.data.sourceName + " " + \ selsignal['Key'] selsignal['scanselection'] = True #print "cheeting" #selsignal['scanselection'] = False elif selection['plot'] == 'image': selsignal["selection"] = selection['selection'] selsignal['legend'] = self.data.sourceName + " " + \ selsignal['Key'] selsignal['scanselection'] = False selsignal['imageselection'] = True sellistsignal.append(selsignal) if self.selection is None: self.setSelected([sel],reset=1) else: self.setSelected([sel],reset=0) if emit: self.sigAddSelection.emit(sellistsignal) else: return sellistsignal def __getSelectedKeys(self): selkeys= [] parwid= self.paramWidget.currentWidget() if self.currentArray is not None: for sel in parwid.getSelection(): sel["SourceName"]= self.currentSpec sel['SourceType'] = SOURCE_TYPE sel["Key"]= self.currentArray selkeys.append(sel) return selkeys def __removeClicked(self): if DEBUG: print("remove clicked") selkeys= self.__getSelectedKeys() if len(selkeys): #self.eh.event(self.delEvent, selkeys) if DEBUG: print("Remove Event") print("self.selection before = ",self.selection) returnedselection=[] sellistsignal = [] for selection in selkeys: selsignal = {} selsignal['SourceType'] = self.data.sourceType selsignal['SourceName'] = self.data.sourceName selsignal['selection'] = None selsignal['Key'] = selection['Key'] sel = {} sel['SourceName'] = selection['SourceName'] sel['SourceType'] = SOURCE_TYPE sel['Key'] = selection['Key'] arrayname = selection['Key'] sel[arrayname] = {'rows':[],'cols':[]} if selection['plot'] == 'cols': sel[arrayname]['cols'].append({'x':selection['x'],'y':selection['y']}) selsignal["selection"] = {"cols":{}} selsignal["selection"]["cols"] = {} selsignal["selection"]["cols"]["x"] = [selection['x']] selsignal["selection"]["cols"]["y"] = [selection['y']] if type(self.data.sourceName) == type(''): sname = [self.data.sourceName] else: sname = self.data.sourceName selsignal["legend"] = sname[0] +\ " "+selsignal['Key']+\ ".c.%d" % int(selection['y']) elif selection['plot'] == 'rows': sel[arrayname]['rows'].append({'x':selection['x'],'y':selection['y']}) selsignal["selection"] = {"rows":{}} selsignal["selection"]["rows"] = {} selsignal["selection"]["rows"]["x"] = [selection['x']] selsignal["selection"]["rows"]["y"] = [selection['y']] if type(self.data.sourceName) == type(''): sname = [self.data.sourceName] else: sname = self.data.sourceName selsignal["legend"] = sname[0] +\ " "+selsignal['Key']+\ ".r.%d" % int(selection['y']) elif selection['plot'] == 'XIA': sel[arrayname]['rows'].append({'x':selection['x'], 'y':selection['y']}) #selsignal["Key"] += ".r.%d" % int(selection['y']) selsignal["selection"] = {"rows":{}, "XIA":True} selsignal["selection"]["rows"] = {} selsignal["selection"]["rows"]["x"] = [selection['x']] selsignal["selection"]["rows"]["y"] = [selection['y']] if type(self.data.sourceName) == type(''): sname = [self.data.sourceName] else: sname = self.data.sourceName selsignal["legend"] = sname[0] +\ " "+selsignal['Key']+\ " #%02d" % int(selection['y']) elif selection['plot'] == 'scan': #sel[arrayname]['cols'].append({'x':selection['selection']['x'][0], # 'y':selection['selection']['y'][0]}) selsignal["selection"] = selection['selection'] selsignal['legend'] = self.data.sourceName + " " + \ selsignal['Key'] selsignal['scanselection'] = True elif selection['plot'] == 'image': selsignal["selection"] = selection['selection'] selsignal['legend'] = self.data.sourceName + " " + \ selsignal['Key'] selsignal['scanselection'] = False selsignal['imageselection'] = True sellistsignal.append(selsignal) returnedselection.append(sel) if self.selection is not None: if DEBUG: print("step 1") if sel['SourceName'] in self.selection: if DEBUG: print("step 2") if arrayname in self.selection[sel['SourceName']]: if DEBUG: print("step 3") if 'rows' in self.selection[sel['SourceName']][arrayname]: if DEBUG: print("step 4") for couple in sel[arrayname]['rows']: if couple in self.selection[sel['SourceName']][arrayname]['rows']: index= self.selection[sel['SourceName']][arrayname]['rows'].index(couple) del self.selection[sel['SourceName']][arrayname]['rows'][index] for couple in sel[arrayname]['cols']: if couple in self.selection[sel['SourceName']][arrayname]['cols']: index= self.selection[sel['SourceName']][arrayname]['cols'].index(couple) del self.selection[sel['SourceName']][arrayname]['cols'][index] seln = {} seln['SourceName'] = sel['SourceName'] seln['SourceType'] = SOURCE_TYPE seln['Key'] = sel['Key'] seln[seln['Key']] = self.selection[seln['SourceName']][seln['Key']] self.setSelected([seln],reset=0) self.sigRemoveSelection.emit(sellistsignal) def removeSelection(self,selection): if type(selection) != type([]): selection=[selection] for sel in selection: arrayname = sel['Key'] if self.selection is not None: if DEBUG: print("step 1") if sel['SourceName'] in self.selection: if DEBUG: print("step 2") if arrayname in self.selection[sel['SourceName']]: if DEBUG: print("step 3") if 'rows' in self.selection[sel['SourceName']][arrayname]: if DEBUG: print("step 4") for couple in sel[arrayname]['rows']: if couple in self.selection[sel['SourceName']][arrayname]['rows']: index= self.selection[sel['SourceName']][arrayname]['rows'].index(couple) del self.selection[sel['SourceName']][arrayname]['rows'][index] for couple in sel[arrayname]['cols']: if couple in self.selection[sel['SourceName']][arrayname]['cols']: index= self.selection[sel['SourceName']][arrayname]['cols'].index(couple) del self.selection[sel['SourceName']][arrayname]['cols'][index] seln = {} seln['SourceName'] = sel['SourceName'] seln['SourceType'] = SOURCE_TYPE seln['Key'] = sel['Key'] seln[seln['Key']] = self.selection[seln['SourceName']][seln['Key']] self.setSelected([seln],reset=0) self.sigRemoveSelection.emit((selection)) def setSelected(self,sellist,reset=1): if DEBUG: print("setSelected(self,sellist,reset=1) called") print("sellist = ",sellist) print("selection before = ",self.selection) print("reset = ",reset) if reset: self.selection = {} elif self.selection is None: self.selection = {} for sel in sellist: specname = sel['SourceName'] #selkey is the array name what to do if multiple array names? if type(sel["Key"]) == type([]): selkey = sel["Key"][0] else: selkey = sel["Key"] if specname not in self.selection: self.selection[specname]= {} if selkey not in self.selection[specname]: self.selection[specname][selkey] = {'rows':[],'cols':[]} if 'rows' in sel[selkey]: for rowsel in sel[selkey]['rows']: if rowsel not in self.selection[specname][selkey]['rows']: self.selection[specname][selkey]['rows'].append(rowsel) if 'cols' in sel[selkey]: for rowsel in sel[selkey]['cols']: if rowsel not in self.selection[specname][selkey]['cols']: self.selection[specname][selkey]['cols'].append(rowsel) if DEBUG: print("self.selection after = ",self.selection) self.__refreshSelection() def getSelection(self): """ Give the dicionary of dictionaries as an easy to understand list of individual selections """ selection = [] if self.selection is None: return selection for sourcekey in self.selection.keys(): for arraykey in self.selection[sourcekey].keys(): sel={} sel['SourceName'] = sourcekey sel['SourceType'] = 'SPS' sel['Key'] = arraykey sel[arraykey] = self.selection[sourcekey][arraykey] selection.append(sel) return selection def __refreshSelection(self): return if DEBUG: print("__refreshSelection(self) called") print(self.selection) if self.selection is not None: sel = self.selection.get(self.data.SourceName, {}) selkeys = [] for key in sel.keys(): if (sel[key]['mca'] != []) or (sel[key]['scan']['Ycnt'] != []): selkeys.append(key) if DEBUG: print("selected scans =",selkeys) print("but self.selection = ",self.selection) print("and self.selection.get(self.data.SourceName, {}) =",sel) self.scanList.markScanSelected(selkeys) scandict = sel.get(self.currentScan, {}) if 'mca' in scandict: self.mcaTable.markMcaSelected(scandict['mca']) else: self.mcaTable.markMcaSelected([]) if 'scan' in scandict: self.cntTable.markCntSelected(scandict['scan']) else: self.cntTable.markCntSelected({}) def isSelectionUpdated(self,sellist): outsel = [] if type(sellist) != type([]): sellist = [sellist] for ddict in sellist: #for dict in selection: if 'SourceName' in ddict: spec = ddict['SourceName'] if 'Key' in ddict: shm = ddict['Key'] if shm in ddict: check = 0 rows = [] cols = [] if 'cols' in ddict[shm]: cols = ddict[shm]['cols'] if len(cols): check = 1 if 'rows' in ddict[shm]: rows = ddict[shm]['rows'] if len(rows): check = 1 if check and sps.specrunning(spec): if sps.isupdated(spec,shm): outsel.append({'SourceName':spec, 'Key':shm, shm:{'rows':rows, 'cols':cols}, 'SourceType':'SPS'}) return outsel def test(): import sys from PyMca5.PyMcaGui.pymca import QSpsDataSource a= qt.QApplication(sys.argv) a.lastWindowClosed.connect(a.quit) def replaceSelection(sel): print("replaceSelection", sel) def removeSelection(sel): print("removeSelection", sel) def addSelection(sel): print("addSelection", sel) w= QSpsWidget() w.sigAddSelection.connect(addSelection) w.sigRemoveSelection.connect(removeSelection) w.sigReplaceSelection.connect(replaceSelection) #d = QSpsDataSource.QSpsDataSource() #w.setData(d) """ w.eh.register("addSelection", addSelection) w.eh.register("repSelection", repSelection) """ w.show() a.exec_() if __name__=="__main__": test() ���������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/io/hdf5/���������������������������������������������������������������0000755�0002763�0000175�00000000000�13205526235�016737� 5����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/io/hdf5/HDF5Widget.py��������������������������������������������������0000644�0002763�0000175�00000073270�13173367502�021160� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # Copyright (C) 2004-2017 V.A. Sole, ESRF - D. Dale CHESS # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "Darren Dale (CHESS) & V.A. Sole (ESRF)" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os import posixpath import gc import re from operator import itemgetter import h5py import weakref try: from silx.io import is_group from silx.io import open as h5open import logging logging.getLogger("silx.io.fabioh5").setLevel(logging.CRITICAL) except ImportError: def is_group(node): return isinstance(node, h5py.Group) def h5open(filename): return h5py.File(filename, "r") from PyMca5.PyMcaGui import PyMcaQt as qt safe_str = qt.safe_str if hasattr(qt, 'QStringList'): MyQVariant = qt.QVariant else: def MyQVariant(x=None): return x DEBUG = 0 QVERSION = qt.qVersion() #sorting method def h5py_sorting(object_list): sorting_list = ['start_time', 'end_time', 'name'] n = len(object_list) if n < 2: return object_list # we have received items, not values # perform a first sort based on received names # this solves a problem with Eiger data where all the # external data have the same posixName. Without this sorting # they arrive "unsorted" object_list.sort() try: posixNames = [item[1].name for item in object_list] except AttributeError: # Typical of broken external links if DEBUG: print("HDF5Widget: Cannot get posixNames") return object_list # This implementation only sorts entries if posixpath.dirname(posixNames[0]) != "/": return object_list sorting_key = None if hasattr(object_list[0][1], "items"): for key in sorting_list: if key in [x[0] for x in object_list[0][1].items()]: sorting_key = key break if sorting_key is None: if 'name' in sorting_list: sorting_key = 'name' else: return object_list try: if sorting_key != 'name': sorting_list = [(o[1][sorting_key].value, o) for o in object_list] sorted_list = sorted(sorting_list, key=itemgetter(0)) return [x[1] for x in sorted_list] if sorting_key == 'name': sorting_list = [(_get_number_list(o[1].name),o) for o in object_list] sorting_list.sort() return [x[1] for x in sorting_list] except: #The only way to reach this point is to have different #structures among the different entries. In that case #defaults to the unfiltered case print("WARNING: Default ordering") print("Probably all entries do not have the key %s" % sorting_key) return object_list def _get_number_list(txt): rexpr = '[/a-zA-Z:-]' nbs= [float(w) for w in re.split(rexpr, txt) if w not in ['',' ']] return nbs class BrokenLink(object): pass class QRLock(qt.QMutex): """ """ def __init__(self): qt.QMutex.__init__(self, qt.QMutex.Recursive) def __enter__(self): self.lock() return self def __exit__(self, type, value, traceback): self.unlock() class RootItem(object): @property def children(self): return self._children @property def hasChildren(self): if len(self._children): return True else: return False @property def header(self): return self._header @property def parent(self): return None def __init__(self, header): self._header = header self._children = [] self._identifiers = [] def __iter__(self): def iter_files(files): for f in files: yield f return iter_files(self.children) def __len__(self): return len(self.children) def appendChild(self, item): self.children.append(H5FileProxy(item, self)) self._identifiers.append(id(item)) def deleteChild(self, child): idx = self._children.index(child) del self._children[idx] del self._identifiers[idx] class H5NodeProxy(object): @property def children(self): if not self.hasChildren: return [] if not self._children: # obtaining the lock here is necessary, otherwise application can # freeze if navigating tree while data is processing if 1: #with self.file.plock: items = list(self.getNode(self.name).items()) if posixpath.dirname(self.name) == "/": # top level item doit = True else: doit = False try: # better handling of external links finalList = h5py_sorting(items) for i in range(len(finalList)): if finalList[i][1] is not None: finalList[i][1]._posixPath = posixpath.join(self.name, finalList[i][0]) else: finalList[i] = [x for x in finalList[i]] finalList[i][1] = BrokenLink() finalList[i][1]._posixPath = posixpath.join(self.name, finalList[i][0]) self._children = [H5NodeProxy(self.file, i[1], self) for i in finalList] except: #one cannot afford any error, so I revert to the old # method where values where used instead of items if DEBUG: raise else: # tmpList = list(self.getNode(self.name).values()) # spech5 does not implement values() prior to silx 0.6.0 tmpList = list(map(self.getNode(self.name).__getitem__, self.getNode(self.name).keys())) finalList = tmpList for i in range(len(finalList)): finalList[i]._posixPath = posixpath.join(self.name, items[i][0]) self._children = [H5NodeProxy(self.file, i, self) for i in finalList] return self._children @property def file(self): return self._file @property def hasChildren(self): return self._hasChildren @property def name(self): return self._name @property def row(self): if 1:#with self.file.plock: try: return self.parent.children.index(self) except ValueError: return @property def type(self): return self._type @property def shape(self): if type(self._shape) == type(""): return self._shape if len(self._shape) == 1: return "%d" % self._shape[0] elif len(self._shape) > 1: text = "%d" % self._shape[0] for a in range(1, len(self._shape)): text += " x %d" % self._shape[a] return text else: return "" @property def dtype(self): return self._dtype @property def parent(self): return self._parent def __init__(self, ffile, node, parent=None, path=None): if 1:#with ffile.plock: self._file = ffile self._parent = parent if hasattr(node, '_posixPath'): self._name = node._posixPath else: self._name = node.name """ if hasattr(node, "_sourceName"): self._name = node._sourceName else: self._name = posixpath.basename(node.name) """ self._type = type(node).__name__ self._hasChildren = is_group(node) if hasattr(node, 'attrs'): attrs = list(node.attrs) for cname in ['class', 'NX_class']: if cname in attrs: nodeattr = node.attrs[cname] if sys.version <'3.0': _type = "%s" % nodeattr elif hasattr(nodeattr, "decode"): _type = nodeattr.decode('utf=8') else: _type = "%s" % nodeattr self._type = _type break #self._type = _type[2].upper() + _type[3:] self._children = [] if hasattr(node, 'dtype'): self._dtype = safe_str(node.dtype) else: self._dtype = "" if hasattr(node, 'shape'): if 0: self._shape = safe_str(node.shape) else: self._shape = node.shape else: self._shape = "" def clearChildren(self): self._children = [] self._hasChildren = False def getNode(self, name=None): if not name: name = self.name return self.file[name] def __len__(self): return len(self.children) class H5FileProxy(H5NodeProxy): @property def name(self): return '/' @property def filename(self): return self._filename def __init__(self, ffile, parent=None): super(H5FileProxy, self).__init__(ffile, ffile, parent) self._name = ffile.name self._filename = self.file.name def close(self): if 1: # with self.file.plock: return self.file.close() def __getitem__(self, path): if path == '/': return self else: return H5NodeProxy(self.file, self.file[path], self) class FileModel(qt.QAbstractItemModel): """ """ sigFileUpdated = qt.pyqtSignal(object) sigFileAppended = qt.pyqtSignal(object) def __init__(self, parent=None): qt.QAbstractItemModel.__init__(self, parent) self.rootItem = RootItem(['File/Group/Dataset', 'Description', 'Shape', 'DType']) self._idMap = {qt.QModelIndex().internalId(): self.rootItem} def clearRows(self, index): self.getProxyFromIndex(index).clearChildren() def close(self): for item in self.rootItem: item.close() self._idMap = {} def columnCount(self, parent): return 4 def data(self, index, role): if role != qt.Qt.DisplayRole: return MyQVariant() item = self.getProxyFromIndex(index) column = index.column() if column == 0: if isinstance(item, H5FileProxy): return MyQVariant(os.path.basename(item.file.filename)) else: return MyQVariant(posixpath.basename(item.name)) if column == 1: showtitle = True if showtitle: if hasattr(item, 'type'): if item.type in ["Entry", "NXentry"]: children = item.children names = [posixpath.basename(o.name) for o in children] if "title" in names: idx = names.index("title") if len(children[idx].getNode().shape): #stored as an array of strings!!! #return just the first item return MyQVariant("%s" % children[idx].getNode().value[0]) else: #stored as a string return MyQVariant("%s" % children[idx].getNode().value) return MyQVariant(item.type) if column == 2: return MyQVariant(item.shape) if column == 3: return MyQVariant(item.dtype) return MyQVariant() def getNodeFromIndex(self, index): try: return self.getProxyFromIndex(index).getNode() except AttributeError: return None def getProxyFromIndex(self, index): try: return self._idMap[index.internalId()] except KeyError: try: #Linux 32-bit problem return self._idMap[index.internalId() & 0xFFFFFFFF] except KeyError: return self.rootItem def hasChildren(self, index): return self.getProxyFromIndex(index).hasChildren def headerData(self, section, orientation, role): if orientation == qt.Qt.Horizontal and \ role == qt.Qt.DisplayRole: return MyQVariant(self.rootItem.header[section]) return MyQVariant() def hasIndex(self, row, column, parent): parentItem = self.getProxyFromIndex(parent) if row >= len(parentItem.children): return False return True def index(self, row, column, parent): parentItem = self.getProxyFromIndex(parent) if row >= len(parentItem.children): return qt.QModelIndex() child = parentItem.children[row] #force a pointer to child and not use id(child) index = self.createIndex(row, column, child) self._idMap.setdefault(index.internalId(), child) return index def parent(self, index): child = self.getProxyFromIndex(index) parent = child.parent if parent == self.rootItem: return qt.QModelIndex() if parent is None: return qt.QModelIndex() if parent.row is None: return qt.QModelIndex() else: return self.createIndex(parent.row, 0, parent) def rowCount(self, index): return len(self.getProxyFromIndex(index)) def openFile(self, filename, weakreference=False): gc.collect() for item in self.rootItem: if item.file.filename == filename: ddict = {} ddict['event'] = "fileUpdated" ddict['filename'] = filename self.sigFileUpdated.emit(ddict) return item.file phynxFile = h5open(filename) if weakreference: def phynxFileInstanceDistroyed(weakrefObject): idx = self.rootItem._identifiers.index(id(weakrefObject)) child = self.rootItem._children[idx] child.clearChildren() del self._idMap[id(child)] self.rootItem.deleteChild(child) if not self.rootItem.hasChildren: self.clear() return refProxy = weakref.proxy(phynxFile, phynxFileInstanceDistroyed) self.rootItem.appendChild(refProxy) else: self.rootItem.appendChild(phynxFile) ddict = {} ddict['event'] = "fileAppended" ddict['filename'] = filename self.sigFileAppended.emit(ddict) return phynxFile def appendPhynxFile(self, phynxFile, weakreference=True): """ I create a weak reference to a phynx file instance, get informed when the instance disappears, and delete the entry from the view """ if hasattr(phynxFile, "_sourceName"): name = phynxFile._sourceName else: name = phynxFile.name gc.collect() present = False for child in self.rootItem: if child.file.filename == name: #already present present = True break if present: ddict = {} ddict['event'] = "fileUpdated" ddict['filename'] = name self.sigFileUpdated.emit(ddict) return if weakreference: def phynxFileInstanceDistroyed(weakrefObject): idx = self.rootItem._identifiers.index(id(weakrefObject)) child = self.rootItem._children[idx] child.clearChildren() del self._idMap[id(child)] self.rootItem.deleteChild(child) if not self.rootItem.hasChildren: self.clear() return phynxFileProxy = weakref.proxy(phynxFile, phynxFileInstanceDistroyed) self.rootItem.appendChild(phynxFileProxy) else: self.rootItem.appendChild(phynxFile) ddict = {} ddict['event'] = "fileAppended" ddict['filename'] = name self.sigFileAppended.emit(ddict) def clear(self): if DEBUG: print("Clear called") # reset is considered obsolete under Qt 5. if hasattr(self, "reset"): self.reset() class FileView(qt.QTreeView): sigHDF5WidgetSignal = qt.pyqtSignal(object) def __init__(self, fileModel, parent=None): qt.QTreeView.__init__(self, parent) self.setModel(fileModel) self.setColumnWidth(0, 250) #This removes the children after a double click #with no possibility to recover them #self.collapsed[QModelIndex].connect(fileModel.clearRows) fileModel.sigFileAppended.connect(self.fileAppended) fileModel.sigFileUpdated.connect(self.fileUpdated) def fileAppended(self, ddict=None): self.doItemsLayout() if ddict is None: return self.fileUpdated(ddict) def fileUpdated(self, ddict): rootModelIndex = self.rootIndex() if self.model().hasChildren(rootModelIndex): rootItem = self.model().getProxyFromIndex(rootModelIndex) for row in range(len(rootItem)): if self.model().hasIndex(row, 0, rootModelIndex): modelIndex = self.model().index(row, 0, rootModelIndex) item = self.model().getProxyFromIndex(modelIndex) if item.name == ddict['filename']: self.selectionModel().setCurrentIndex(modelIndex, qt.QItemSelectionModel.NoUpdate) self.scrollTo(modelIndex, qt.QAbstractItemView.PositionAtTop) break self.doItemsLayout() class HDF5Widget(FileView): def __init__(self, model, parent=None): FileView.__init__(self, model, parent) self.setSelectionBehavior(qt.QAbstractItemView.SelectRows) self._adjust() if 0: self.activated[qt.QModelIndex].connect(self.itemActivated) self.clicked[qt.QModelIndex].connect(self.itemClicked) self.doubleClicked[qt.QModelIndex].connect(self.itemDoubleClicked) self.collapsed[qt.QModelIndex].connect(self._adjust) self.expanded[qt.QModelIndex].connect(self._adjust) def _adjust(self, modelIndex=None): self.resizeColumnToContents(0) self.resizeColumnToContents(1) self.resizeColumnToContents(2) self.resizeColumnToContents(3) def mousePressEvent(self, e): button = e.button() if button == qt.Qt.LeftButton: self._lastMouse = "left" elif button == qt.Qt.RightButton: self._lastMouse = "right" elif button == qt.Qt.MidButton: self._lastMouse = "middle" else: #Should I set it to no button? self._lastMouse = "left" qt.QTreeView.mousePressEvent(self, e) if self._lastMouse != "left": # Qt5 only sends itenClicked on left button mouse click if QVERSION > "5": event = "itemClicked" modelIndex = self.indexAt(e.pos()) self.emitSignal(event, modelIndex) def itemActivated(self, modelIndex): event = "itemActivated" self.emitSignal(event, modelIndex) def itemClicked(self, modelIndex): event ="itemClicked" self.emitSignal(event, modelIndex) def itemDoubleClicked(self, modelIndex): event ="itemDoubleClicked" self.emitSignal(event, modelIndex) def selectionChanged(self, selected, deselected): super(HDF5Widget, self).selectionChanged(selected, deselected) event = "itemSelectionChanged" modelIndex = self.currentIndex() self.emitSignal(event, modelIndex) def emitSignal(self, event, modelIndex): if self.model() is None: return item = self.model().getProxyFromIndex(modelIndex) if QVERSION > "5": # prevent crash clicking on empty space if not hasattr(item, "file"): # RootItem return ddict = {} ddict['event'] = event ddict['file'] = item.file.filename ddict['name'] = item.name ddict['type'] = item.type ddict['dtype'] = item.dtype ddict['shape'] = item.shape ddict['mouse'] = self._lastMouse * 1 self.sigHDF5WidgetSignal.emit(ddict) def getSelectedEntries(self): modelIndexList = self.selectedIndexes() entryList = [] analyzedPaths = [] for modelIndex in modelIndexList: item = self.model().getProxyFromIndex(modelIndex) path = item.name * 1 if path in analyzedPaths: continue else: analyzedPaths.append(path) if item.type in ["weakproxy", "File"]: continue entry = "/" + path.split("/")[1] if entry not in entryList: entryList.append((entry, item.file.filename)) return entryList class Hdf5SelectionDialog(qt.QDialog): """Dialog widget to select a HDF5 item in a file. It is composed of a :class:`HDF5Widget` tree view, and two buttons Ok and Cancel. When the dialog's execution is ended with a click on the OK button, or with a double-click on an item of the proper type, the URI of the selected item will be available in attribute :attr:`selectedItemUri`. If the user clicked cancel or closed the dialog without selecting an item, :attr:`selectedItemUri` will be None.""" datasetTypes = ['dataset', 'spech5dataset', 'spech5linktodataset', # spech5 'framedata', 'rawheaderdata'] # fabioh5 def __init__(self, parent=None, filename=None, message=None, itemtype="any"): """ :param filename: Name of the HDF5 file :param value: If True returns dataset value instead of just the dataset. This must be False if itemtype is not "dataset". :param str itemtype: "dataset" or "group" or "any" (default) """ message = message if message is not None else 'Select your item' self.itemtype = itemtype if itemtype is not None else "any" if self.itemtype not in ["any", "dataset", "group"]: raise AttributeError( "Invalid itemtype %s, should be 'group', 'dataset' or 'any'" % itemtype) if filename is None: filename = _getFilenameDialog() if filename is None: raise IOError("No filename specified") qt.QDialog.__init__(self, parent) self.setWindowTitle(message) mainLayout = qt.QVBoxLayout(self) mainLayout.setContentsMargins(0, 0, 0, 0) mainLayout.setSpacing(0) self.fileModel = FileModel() self.fileView = HDF5Widget(self.fileModel) self.hdf5File = self.fileModel.openFile(filename) self.fileView.sigHDF5WidgetSignal.connect(self._hdf5WidgetSlot) mainLayout.addWidget(self.fileView) buttonContainer = qt.QWidget(self) buttonContainerLayout = qt.QHBoxLayout(buttonContainer) mainLayout.setContentsMargins(0, 0, 0, 0) mainLayout.setSpacing(0) self.okb = qt.QPushButton("OK", buttonContainer) cancelb = qt.QPushButton("Cancel", buttonContainer) self.okb.clicked.connect(self.onOk) self.okb.setEnabled(False) # requires item to be clicked or activated cancelb.clicked.connect(self.reject) buttonContainerLayout.addWidget(self.okb) buttonContainerLayout.addWidget(cancelb) mainLayout.addWidget(buttonContainer) self.resize(400, 200) self.selectedItemUri = None """URI of selected HDF5 item, with format 'filename::item_name' """ self._lastEvent = None """Dictionary with info about latest event""" def _hdf5WidgetSlot(self, ddict): self._lastEvent = ddict eventType = ddict['type'].lower() isExpectedType = self.itemtype.lower() == "any" or \ (eventType in self.datasetTypes and self.itemtype == "dataset") or \ (eventType not in self.datasetTypes and self.itemtype == "group") if isExpectedType: self.okb.setEnabled(True) else: self.okb.setEnabled(False) if ddict['event'] == "itemDoubleClicked": if isExpectedType: self.selectedItemUri = ddict['file'] + "::" + ddict['name'] self.accept() def onOk(self): self.selectedItemUri = self._lastEvent['file'] + "::" + self._lastEvent['name'] self.accept() def exec_(self): ret = qt.QDialog.exec_(self) self.hdf5File.close() return ret def _getFilenameDialog(): """Open a dialog to select a file in a filesystem tree view. Return the selected filename.""" from PyMca5.PyMcaGui.io import PyMcaFileDialogs fileTypeList = ['HDF5 Files (*.h5 *.nxs *.hdf)', 'HDF5 Files (*)'] message = "Open HDF5 file" filenamelist, ffilter = PyMcaFileDialogs.getFileList(parent=None, filetypelist=fileTypeList, message=message, getfilter=True, single=True, currentfilter=None) if len(filenamelist) < 1: return None return filenamelist[0] def getDatasetValueDialog(filename=None, message=None): """Open a dialog to select a dataset in a HDF5 file. Return the value of the dataset. If the dataset selection was cancelled, None is returned. :param str filename: HDF5 file path. If None, a file dialog is used to select the file. :param str message: Message used as window title for dialog :return: HDF5 dataset as numpy array, or None """ hdf5Dialog = Hdf5SelectionDialog(None, filename, message, "dataset") ret = hdf5Dialog.exec_() if not ret: return None selectedHdf5Uri = hdf5Dialog.selectedItemUri with h5open(filename) as hdf5File: hdf5Item = hdf5File[selectedHdf5Uri.split("::")[-1]] data = hdf5Item.value return data def getDatasetDialog(filename=None, value=False, message=None): # function kept for backward compatibility, in case someone # uses it with value=False outside PyMca5 if value: return getDatasetValueDialog(filename, message) hdf5Dialog = Hdf5SelectionDialog(None, filename, message, "dataset") ret = hdf5Dialog.exec_() if not ret: return None selectedHdf5Uri = hdf5Dialog.selectedItemUri hdf5File = h5open(filename) return hdf5File[selectedHdf5Uri.split("::")[-1]] def getGroupNameDialog(filename=None, message=None): """Open a dialog to select a group in a HDF5 file. Return the name of the group. :param str filename: HDF5 file path. If None, a file dialog is used to select the file. :param str message: Message used as window title for dialog :return: HDF5 group name """ hdf5Dialog = Hdf5SelectionDialog(None, filename, message, "group") ret = hdf5Dialog.exec_() if not ret: return None selectedHdf5Uri = hdf5Dialog.selectedItemUri return selectedHdf5Uri.split("::")[-1] if __name__ == "__main__": if len(sys.argv) < 2: print("Usage:") print("python HDF5Widget.py path_to_hdf5_file_name") sys.exit(0) app = qt.QApplication(sys.argv) fileModel = FileModel() fileView = HDF5Widget(fileModel) phynxFile = fileModel.openFile(sys.argv[1]) def mySlot(ddict): print(ddict) if ddict['type'].lower() in Hdf5SelectionDialog.datasetTypes: print(phynxFile[ddict['name']].dtype, phynxFile[ddict['name']].shape) fileView.sigHDF5WidgetSignal.connect(mySlot) fileView.show() sys.exit(app.exec_()) ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/io/hdf5/HDF5CounterTable.py��������������������������������������������0000644�0002763�0000175�00000025117�13136054446�022320� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" from PyMca5.PyMcaGui import PyMcaQt as qt safe_str = qt.safe_str DEBUG = 0 class HDF5CounterTable(qt.QTableWidget): sigHDF5CounterTableSignal = qt.pyqtSignal(object) def __init__(self, parent=None): qt.QTableWidget.__init__(self, parent) self.cntList = [] self.aliasList = [] self.mcaList = [] self.xSelection = [] self.ySelection = [] self.monSelection = [] self.__is3DEnabled = False labels = ['Counter', 'Axes', 'Signals', 'Monitor', 'Alias'] self.setColumnCount(len(labels)) for i in range(len(labels)): item = self.horizontalHeaderItem(i) if item is None: item = qt.QTableWidgetItem(labels[i], qt.QTableWidgetItem.Type) item.setText(labels[i]) self.setHorizontalHeaderItem(i,item) """ #the cell is not the same as the check box #but I wonder about the checkboxes being destroyed """ self.cellChanged[int, int].connect(self._aliasSlot) def build(self, cntlist, aliaslist=None): self.__building = True if aliaslist is None: import posixpath aliaslist = [] for item in cntlist: aliaslist.append(posixpath.basename(item)) if len(cntlist) != len(aliaslist): raise ValueError("Alias list and counter list must have same length") self.cntList = cntlist self.aliasList = aliaslist n = len(cntlist) self.setRowCount(n) if n > 0: self.setRowCount(n) rheight = self.horizontalHeader().sizeHint().height() for i in range(n): self.setRowHeight(i, rheight) self.__addLine(i, cntlist[i]) for j in range(1, 4, 1): widget = self.cellWidget(i, j) widget.setEnabled(True) else: self.setRowCount(0) self.resizeColumnToContents(1) self.resizeColumnToContents(2) self.resizeColumnToContents(3) self.__building = False def __addLine(self, i, cntlabel): #the counter name item = self.item(i, 0) if item is None: item = qt.QTableWidgetItem(cntlabel, qt.QTableWidgetItem.Type) item.setTextAlignment(qt.Qt.AlignHCenter | qt.Qt.AlignVCenter) self.setItem(i, 0, item) else: item.setText(cntlabel) #item is just enabled (not selectable) item.setFlags(qt.Qt.ItemIsEnabled) #the checkboxes for j in range(1, 4, 1): widget = self.cellWidget(i, j) if widget is None: widget = CheckBoxItem(self, i, j) self.setCellWidget(i, j, widget) widget.sigCheckBoxItemSignal.connect(self._mySlot) else: pass #the alias item = self.item(i, 4) alias = self.aliasList[i] if item is None: item = qt.QTableWidgetItem(alias, qt.QTableWidgetItem.Type) item.setTextAlignment(qt.Qt.AlignHCenter | qt.Qt.AlignVCenter) self.setItem(i, 4, item) else: item.setText(alias) def set3DEnabled(self, value): if value: self.__is3DEnabled = True else: self.__is3DEnabled = False if len(self.xSelection) > 1: self.xSelection = [1 * self.xSelection[0]] self._update() def _aliasSlot(self, row, col): if self.__building: return if col != 4: return item = self.item(row, 4) self.aliasList[row] = safe_str(item.text()) def _mySlot(self, ddict): row = ddict["row"] col = ddict["col"] if col == 1: if ddict["state"]: if row not in self.xSelection: self.xSelection.append(row) else: if row in self.xSelection: del self.xSelection[self.xSelection.index(row)] if not self.__is3DEnabled: if len(self.xSelection) > 2: #that is to support mesh plots self.xSelection = self.xSelection[-2:] if len(self.xSelection) > 1: self.xSelection = self.xSelection[-1:] elif len(self.xSelection) > 3: self.xSelection = self.xSelection[-3:] if col == 2: if ddict["state"]: if row not in self.ySelection: self.ySelection.append(row) else: if row in self.ySelection: del self.ySelection[self.ySelection.index(row)] if col == 3: if ddict["state"]: if row not in self.monSelection: self.monSelection.append(row) else: if row in self.monSelection: del self.monSelection[self.monSelection.index(row)] if len(self.monSelection) > 1: self.monSelection = self.monSelection[-1:] self._update() def _update(self): axisLabels = ['X', 'Y', 'Z'] for i in range(self.rowCount()): j = 1 widget = self.cellWidget(i, j) if i in self.xSelection: if not widget.isChecked(): widget.setChecked(True) widget.setText(axisLabels[self.xSelection.index(i)]) else: if widget.isChecked(): widget.setChecked(False) widget.setText("") j = 2 widget = self.cellWidget(i, j) if i in self.ySelection: if not widget.isChecked(): widget.setChecked(True) else: if widget.isChecked(): widget.setChecked(False) j = 3 widget = self.cellWidget(i, j) if i in self.monSelection: if not widget.isChecked(): widget.setChecked(True) else: if widget.isChecked(): widget.setChecked(False) ddict = {} ddict["event"] = "updated" self.sigHDF5CounterTableSignal.emit(ddict) def getCounterSelection(self): ddict = {} ddict['cntlist'] = self.cntList * 1 ddict['aliaslist'] = self.aliasList * 1 ddict['x'] = self.xSelection * 1 ddict['y'] = self.ySelection * 1 ddict['m'] = self.monSelection * 1 return ddict def setCounterSelection(self, ddict): keys = ddict.keys() if 'cntlist' in keys: cntlist = ddict['cntlist'] else: cntlist = self.cntList * 1 # no selection based on aliaslist or counterlist (yet?) if 0: if 'aliaslist' in keys: aliaslist = ddict['aliaslist'] elif len(self.aliasList) == len(cntlist): aliaslist = self.aliasList * 1 else: aliaslist = self.cntList * 1 if 'x' in keys: x = ddict['x'] else: x = [] if 'y' in keys: y = ddict['y'] else: y = [] if 'm' in keys: monitor = ddict['m'] else: monitor = [] self.xSelection = [] for item in x: if item < len(cntlist): counter = cntlist[item] if 0: if counter in self.cntList: self.xSelection.append(self.cntList.index(counter)) else: self.xSelection.append(item) self.ySelection = [] for item in y: if item < len(cntlist): counter = cntlist[item] if counter in self.cntList: self.ySelection.append(self.cntList.index(counter)) self.monSelection = [] for item in monitor: if item < len(cntlist): counter = cntlist[item] if counter in self.cntList: self.monSelection.append(self.cntList.index(counter)) self._update() class CheckBoxItem(qt.QCheckBox): sigCheckBoxItemSignal = qt.pyqtSignal(object) def __init__(self, parent, row, col): qt.QCheckBox.__init__(self, parent) self.__row = row self.__col = col self.clicked.connect(self._mySignal) def _mySignal(self, value): ddict = {} ddict["event"] = "clicked" ddict["state"] = value ddict["row"] = self.__row * 1 ddict["col"] = self.__col * 1 self.sigCheckBoxItemSignal.emit(ddict) def main(): app = qt.QApplication([]) tab = HDF5CounterTable() tab.build(["Cnt1", "Cnt2", "Cnt3"]) tab.setCounterSelection({'x':[1, 2], 'y':[4], 'cntlist':["dummy", "Cnt0", "Cnt1", "Cnt2", "Cnt3"]}) tab.show() app.exec_() if __name__ == "__main__": main() �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/io/hdf5/HDF5Selection.py�����������������������������������������������0000644�0002763�0000175�00000010247�13136054446�021654� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" from PyMca5.PyMcaGui import PyMcaQt as qt safe_str = qt.safe_str DEBUG = 0 class HDF5Selection(qt.QWidget): def __init__(self, parent=None): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) self.selectionWidgetsDict = {} row = 0 for key in ['x', 'y', 'm']: label = qt.QLabel(self) label.setText(key+":") line = qt.QLineEdit(self) line.setReadOnly(True) self.mainLayout.addWidget(label, row, 0) self.mainLayout.addWidget(line, row, 1) self.selectionWidgetsDict[key] = line row += 1 def setSelection(self, selection): if 'cntlist' in selection: # "Raw" selection cntlist = selection['cntlist'] for key in ['x', 'y', 'm']: if key not in selection: self.selectionWidgetsDict[key].setText("") continue n = len(selection[key]) if not n: self.selectionWidgetsDict[key].setText("") continue idx = selection[key][0] text = "%s" % cntlist[idx] if n > 1: for idx in range(1, n): text += ", %s" % cntlist[selection[key][idx]] self.selectionWidgetsDict[key].setText(text) else: # "Digested" selection for key in ['x', 'y', 'm']: if key not in selection: self.selectionWidgetsDict[key].setText("") continue n = len(selection[key]) if not n: self.selectionWidgetsDict[key].setText("") continue text = "%s" % selection[key][0] if n > 1: for idx in range(1, n): text += ", %s" % selection[key][idx] self.selectionWidgetsDict[key].setText(text) def getSelection(self): selection = {} for key in ['x', 'y', 'm']: selection[key] = [] text = safe_str(self.selectionWidgetsDict[key].text()) text = text.replace(" ","") if len(text): selection[key] = text.split(',') return selection def main(): app = qt.QApplication([]) tab = HDF5Selection() tab.setSelection({'x':[1, 2], 'y':[4], 'cntlist':["dummy", "Cnt0", "Cnt1", "Cnt2", "Cnt3"]}) tab.show() app.exec_() if __name__ == "__main__": main() ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/io/hdf5/QNexusWidget.py������������������������������������������������0000644�0002763�0000175�00000070652�13173367502�021716� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # Copyright (C) 2004-2017 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os import posixpath import weakref import gc import h5py from PyMca5.PyMcaGui import PyMcaQt as qt safe_str = qt.safe_str if hasattr(qt, 'QString'): QString = qt.QString else: QString = str from . import HDF5Widget from . import HDF5Info from . import HDF5CounterTable try: from . import Hdf5NodeView except ImportError: from . import HDF5DatasetTable Hdf5NodeView = None from PyMca5.PyMcaIO import ConfigDict if "PyMcaDirs" in sys.modules: from PyMca5 import PyMcaDirs DEBUG=0 class Buttons(qt.QWidget): sigButtonsSignal = qt.pyqtSignal(object) def __init__(self, parent=None, options=None): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) self.buttonGroup = qt.QButtonGroup(self) self.buttonList = [] i = 0 if options is None: optionList = ['SCAN', 'MCA'] else: optionList = options actionList = ['ADD', 'REMOVE', 'REPLACE'] for option in optionList: row = optionList.index(option) for action in actionList: col = actionList.index(action) button = qt.QPushButton(self) button.setText(action + " " + option) self.mainLayout.addWidget(button, row, col) self.buttonGroup.addButton(button) self.buttonList.append(button) self.buttonGroup.buttonClicked[int].connect(self.emitSignal) def emitSignal(self, idx): button = self.buttonGroup.button(idx) ddict={} ddict['event'] = 'buttonClicked' ddict['action'] = safe_str(button.text()) self.sigButtonsSignal.emit(ddict) class QNexusWidget(qt.QWidget): sigAddSelection = qt.pyqtSignal(object) sigRemoveSelection = qt.pyqtSignal(object) sigReplaceSelection = qt.pyqtSignal(object) sigOtherSignals = qt.pyqtSignal(object) def __init__(self, parent=None): qt.QWidget.__init__(self, parent) self.data = None self._dataSourceList = [] self._oldCntSelection = None self._cntList = [] self._aliasList = [] self._defaultModel = HDF5Widget.FileModel() self.getInfo = HDF5Info.getInfo self._modelDict = {} self._widgetDict = {} self._lastWidgetId = None self._dir = None self._lastAction = None self.build() def build(self): self.mainLayout = qt.QVBoxLayout(self) self.splitter = qt.QSplitter(self) self.splitter.setOrientation(qt.Qt.Vertical) self.hdf5Widget = HDF5Widget.HDF5Widget(self._defaultModel, self.splitter) self.hdf5Widget.setSelectionMode(qt.QAbstractItemView.ExtendedSelection) self.cntTable = HDF5CounterTable.HDF5CounterTable(self.splitter) self.mainLayout.addWidget(self.splitter) #Enable 3D if ('PyMca.Object3D' in sys.modules) or \ ('Object3D' in sys.modules) or \ ('PyMca5.Object3D' in sys.modules): self.buttons = Buttons(self, options=['SCAN', 'MCA', '2D', '3D']) self.cntTable.set3DEnabled(True) else: self.buttons = Buttons(self, options=['SCAN', 'MCA', '2D']) self.cntTable.set3DEnabled(False) self.mainLayout.addWidget(self.buttons) self.hdf5Widget.sigHDF5WidgetSignal.connect(self.hdf5Slot) self.cntTable.customContextMenuRequested[qt.QPoint].connect(\ self._counterTableCustomMenuSlot) self.buttons.sigButtonsSignal.connect(self.buttonsSlot) # Some convenience functions to customize the table # They could have been included in other class inheriting # this one. self.cntTable.setContextMenuPolicy(qt.Qt.CustomContextMenu) self._cntTableMenu = qt.QMenu(self) self._cntTableMenu.addAction(QString("Load"), self._loadCounterTableConfiguration) self._cntTableMenu.addAction(QString("Merge"), self._mergeCounterTableConfiguration) self._cntTableMenu.addAction(QString("Save"), self._saveCounterTableConfiguration) self._cntTableMenu.addSeparator() self._cntTableMenu.addAction(QString("Delete All"), self._deleteAllCountersFromTable) self._cntTableMenu.addAction(QString("Delete Selected"), self._deleteSelectedCountersFromTable) def _counterTableCustomMenuSlot(self, qpoint): self.getWidgetConfiguration() self._cntTableMenu.exec_(qt.QCursor.pos()) def _getConfigurationFromFile(self, fname): ddict = ConfigDict.ConfigDict() ddict.read(fname) keys = ddict.keys if 'PyMca' in keys(): ddict = ddict['PyMca'] if 'HDF5' not in ddict.keys(): msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Information) msg.setText("File does not contain HDF5 configuration") msg.exec_() return None if 'WidgetConfiguration' not in ddict['HDF5'].keys(): msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Information) msg.setText("File does not contain HDF5 WidgetConfiguration") msg.exec_() return None ddict =ddict['HDF5']['WidgetConfiguration'] keys = ddict.keys() if ('counters' not in keys) or\ ('aliases' not in keys): msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Information) msg.setText("File does not contain HDF5 counters information") msg.exec_() return None if len(ddict['counters']) != len(ddict['aliases']): msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Number of counters does not match number of aliases") msg.exec_() return None return ddict def _loadCounterTableConfiguration(self): fname = self.getInputFilename() if not len(fname): return ddict = self._getConfigurationFromFile(fname) if ddict is not None: self.setWidgetConfiguration(ddict) def _mergeCounterTableConfiguration(self): fname = self.getInputFilename() if not len(fname): return ddict = self._getConfigurationFromFile(fname) if ddict is None: return current = self.getWidgetConfiguration() cntList = ddict['counters'] aliasList = ddict['aliases'] for i in range(len(cntList)): cnt = cntList[i] if cnt not in current['counters']: current['counters'].append(cnt) current['aliases'].append(aliasList[i]) self.setWidgetConfiguration(current) def _saveCounterTableConfiguration(self): fname = self.getOutputFilename() if not len(fname): return if not fname.endswith('.ini'): fname += '.ini' ddict = ConfigDict.ConfigDict() if "PyMcaDirs" in sys.modules: ddict['PyMca'] = {} ddict['PyMca']['HDF5'] = {'WidgetConfiguration':\ self.getWidgetConfiguration()} else: ddict['HDF5'] ={'WidgetConfiguration':\ self.getWidgetConfiguration()} ddict.write(fname) def _deleteAllCountersFromTable(self): current = self.cntTable.getCounterSelection() current['x'] = [] current['y'] = [] current['m'] = [] self.cntTable.setCounterSelection(current) self.setWidgetConfiguration(None) def _deleteSelectedCountersFromTable(self): itemList = self.cntTable.selectedItems() rowList = [] for item in itemList: row = item.row() if row not in rowList: rowList.append(row) rowList.sort() rowList.reverse() current = self.cntTable.getCounterSelection() for row in rowList: for key in ['x', 'y', 'm']: if row in current[key]: idx = current[key].index(row) del current[key][idx] ddict = {} ddict['counters'] = [] ddict['aliases'] = [] for i in range(self.cntTable.rowCount()): if i not in rowList: name = safe_str(self.cntTable.item(i, 0).text()) alias = safe_str(self.cntTable.item(i, 4).text()) ddict['counters'].append(name) ddict['aliases'].append(alias) self.setWidgetConfiguration(ddict) self.cntTable.setCounterSelection(current) def getInputFilename(self): if self._dir is None: if "PyMcaDirs" in sys.modules: inidir = PyMcaDirs.inputDir else: inidir = os.getcwd() else: inidir = self._dir if not os.path.exists(inidir): inidir = os.getcwd() ret = safe_str(qt.QFileDialog.getOpenFileName(self, "Select a .ini file", inidir, "*.ini")) if len(ret): self._dir = os.path.dirname(ret) if "PyMcaDirs" in sys.modules: PyMcaDirs.inputDir = os.path.dirname(ret) return ret def getOutputFilename(self): if self._dir is None: if "PyMcaDirs" in sys.modules: inidir = PyMcaDirs.outputDir else: inidir = os.getcwd() else: inidir = self._dir if not os.path.exists(inidir): inidir = os.getcwd() ret = safe_str(qt.QFileDialog.getSaveFileName(self, "Select a .ini file", inidir, "*.ini")) if len(ret): self._dir = os.path.dirname(ret) if "PyMcaDirs" in sys.modules: PyMcaDirs.outputDir = os.path.dirname(ret) return ret def getWidgetConfiguration(self): cntSelection = self.cntTable.getCounterSelection() ddict = {} ddict['counters'] = cntSelection['cntlist'] ddict['aliases'] = cntSelection['aliaslist'] return ddict def setWidgetConfiguration(self, ddict=None): if ddict is None: self._cntList = [] self._aliasList = [] else: self._cntList = ddict['counters'] self._aliasList = ddict['aliases'] if type(self._cntList) == type(""): self._cntList = [ddict['counters']] if type(self._aliasList) == type(""): self._aliasList = [ddict['aliases']] self.cntTable.build(self._cntList, self._aliasList) def setDataSource(self, dataSource): self.data = dataSource if self.data is None: self.hdf5Widget.collapseAll() self.hdf5Widget.setModel(self._defaultModel) return def dataSourceDestroyed(weakrefReference): idx = self._dataSourceList.index(weakrefReference) del self._dataSourceList[idx] del self._modelDict[weakrefReference] return ref = weakref.ref(dataSource, dataSourceDestroyed) if ref not in self._dataSourceList: self._dataSourceList.append(ref) self._modelDict[ref] = HDF5Widget.FileModel() model = self._modelDict[ref] self.hdf5Widget.setModel(model) for source in self.data._sourceObjectList: self.hdf5Widget.model().appendPhynxFile(source, weakreference=True) def setFile(self, filename): self._data = self.hdf5Widget.model().openFile(filename, weakreference=True) def showInfoWidget(self, filename, name, dset=False): self._checkWidgetDict() #this solution seems more robust if 1: useInstance = True else: if h5py.version.version < '2.0': useInstance = True else: useInstance = False if useInstance: fileIndex = self.data.sourceName.index(filename) phynxFile = self.data._sourceObjectList[fileIndex] else: phynxFile = h5py.File(filename, 'r') info = self.getInfo(phynxFile, name) widget = HDF5Info.HDF5InfoWidget() widget.notifyCloseEventToWidget(self) title = os.path.basename(filename) title += " %s" % name widget.setWindowTitle(title) wid = id(widget) if self._lastWidgetId is not None: try: width = self._widgetDict[self._lastWidgetId].width() height = self._widgetDict[self._lastWidgetId].height() widget.resize(max(150, width), max(150, height)) except: pass self._lastWidgetId = wid self._widgetDict[wid] = widget if useInstance: def sourceObjectDestroyed(weakrefReference): if wid == self._lastWidgetId: self._latWidgetId = None if wid in self._widgetDict: del self._widgetDict[wid] widget._sourceObjectWeakReference = weakref.ref(phynxFile, sourceObjectDestroyed) widget.setInfoDict(info) # todo: this first `if` block can be dropped when silx is a hard dependency if dset and Hdf5NodeView is None: dataset = phynxFile[name] if isinstance(dataset, h5py.Dataset): if len(dataset.shape): #0 length datasets do not need a table widget.w = HDF5DatasetTable.HDF5DatasetTable(widget) try: widget.w.setDataset(dataset) except: print("Error filling table") widget.addTab(widget.w, 'DataView') elif Hdf5NodeView is not None: data = phynxFile[name] widget.w = Hdf5NodeView.Hdf5NodeView(widget) widget.w.setData(data) widget.addTab(widget.w, 'DataView') widget.show() return widget def itemRightClickedSlot(self, ddict): _hdf5WidgetDatasetMenu = qt.QMenu(self) self._lastItemDict = ddict if ddict['dtype'].startswith('|S') or ddict['dtype'] == '': # handle a right click on a group or a dataset of string type _hdf5WidgetDatasetMenu.addAction(QString("Show Information"), self._showInfoWidgetSlot) _hdf5WidgetDatasetMenu.exec_(qt.QCursor.pos()) else: #handle a right click on a numeric dataset _hdf5WidgetDatasetMenu.addAction(QString("Add to selection table"), self._addToSelectionTable) if 0: #these two options can be combined into one for the time being _hdf5WidgetDatasetMenu.addAction(QString("Open"), self._openDataset) _hdf5WidgetDatasetMenu.addAction(QString("Show Properties"), self._showDatasetProperties) else: _hdf5WidgetDatasetMenu.addAction(QString("Show Information"), self._showInfoWidgetSlot) _hdf5WidgetDatasetMenu.exec_(qt.QCursor.pos()) self._lastItemDict = None return def _addToSelectionTable(self, ddict=None): if ddict is None: ddict = self._lastItemDict #handle as a double click ddict['event'] = "itemDoubleClicked" self.hdf5Slot(ddict) def _showInfoWidgetSlot(self, ddict=None): if ddict is None: ddict = self._lastItemDict is_numeric_dataset = (not ddict['dtype'].startswith('|S') and not ddict['dtype'].startswith('|U') and not ddict['dtype'].startswith('|O') and not ddict['dtype'] == '') return self.showInfoWidget(ddict['file'], ddict['name'], dset=is_numeric_dataset) def _openDataset(self, ddict=None): if ddict is None: ddict = self._lastItemDict filename = ddict['file'] name = ddict['name'] self._checkWidgetDict() fileIndex = self.data.sourceName.index(filename) phynxFile = self.data._sourceObjectList[fileIndex] dataset = phynxFile[name] if Hdf5NodeView is not None: widget = Hdf5NodeView.Hdf5NodeView() widget.setData(dataset) else: widget = HDF5DatasetTable.HDF5DatasetTable() widget.setDataset(dataset) title = os.path.basename(filename) title += " %s" % name widget.setWindowTitle(title) if self._lastWidgetId is not None: ids = self._widgetDict.keys() if len(ids): if self._lastWidgetId in ids: try: width = self._widgetDict[self._lastWidgetId].width() height = self._widgetDict[self._lastWidgetId].height() widget.resize(max(150, width), max(300, height)) except: pass else: try: width = self._widgetDict[ids[-1]].width() height = self._widgetDict[ids[-1]].height() widget.resize(max(150, width), max(300, height)) except: pass widget.notifyCloseEventToWidget(self) wid = id(widget) self._lastWidgetId = wid self._widgetDict[wid] = widget widget.show() def _showDatasetProperties(self, ddict=None): if ddict is None: ddict = self._lastItemDict filename = ddict['file'] name = ddict['name'] return self.showInfoWidget(filename, name) def hdf5Slot(self, ddict): if ddict['event'] == 'itemClicked': if ddict['mouse'] == "right": return self.itemRightClickedSlot(ddict) if ddict['event'] == "itemDoubleClicked": if ddict['type'] in ['Dataset']: if ddict['dtype'].startswith('|S'): print("string") else: root = ddict['name'].split('/') root = "/" + root[1] if len(ddict['name']) == len(root): cnt = ddict['name'] else: cnt = ddict['name'][len(root):] if cnt not in self._cntList: self._cntList.append(cnt) basename = posixpath.basename(cnt) if basename not in self._aliasList: self._aliasList.append(basename) else: self._aliasList.append(cnt) self.cntTable.build(self._cntList, self._aliasList) elif ddict['type'] in ['NXentry', 'Entry']: if self._lastAction is None: return action, selectionType = self._lastAction.split() if action == 'REMOVE': action = 'ADD' ddict['action'] = "%s %s" % (action, selectionType) self.buttonsSlot(ddict) else: if self.data is not None: name = ddict['name'] filename = ddict['file'] fileIndex = self.data.sourceName.index(filename) phynxFile = self.data._sourceObjectList[fileIndex] dataset = phynxFile[name] if isinstance(dataset, h5py.Dataset): root = ddict['name'].split('/') root = "/" + root[1] cnt = ddict['name'].split(root)[-1] if cnt not in self._cntList: if DEBUG: print("USING SECOND WAY") self._cntList.append(cnt) basename = posixpath.basename(cnt) if basename not in self._aliasList: self._aliasList.append(basename) else: self._aliasList.append(cnt) self.cntTable.build(self._cntList, self._aliasList) return if DEBUG: print("Unhandled item type: %s" % ddict['dtype']) def buttonsSlot(self, ddict, emit=True): if self.data is None: return action, selectionType = ddict['action'].split() entryList = self.getSelectedEntries() if not len(entryList): return cntSelection = self.cntTable.getCounterSelection() self._aliasList = cntSelection['aliaslist'] selectionList = [] for entry, filename in entryList: if not len(cntSelection['cntlist']): continue if not len(cntSelection['y']): #nothing to plot continue for yCnt in cntSelection['y']: sel = {} sel['SourceName'] = self.data.sourceName * 1 sel['SourceType'] = "HDF5" fileIndex = self.data.sourceName.index(filename) phynxFile = self.data._sourceObjectList[fileIndex] entryIndex = list(phynxFile["/"].keys()).index(entry[1:]) sel['Key'] = "%d.%d" % (fileIndex+1, entryIndex+1) sel['legend'] = os.path.basename(sel['SourceName'][0])+\ " " + posixpath.basename(entry) #it was sel['Key'] sel['selection'] = {} sel['selection']['sourcename'] = filename #deal with the case the "entry" is a dataset hunging at root level if isinstance(phynxFile[entry], h5py.Dataset): entry = "/" sel['selection']['entry'] = entry sel['selection']['key'] = "%d.%d" % (fileIndex+1, entryIndex+1) sel['selection']['x'] = cntSelection['x'] sel['selection']['y'] = [yCnt] sel['selection']['m'] = cntSelection['m'] sel['selection']['cntlist'] = cntSelection['cntlist'] sel['selection']['LabelNames'] = cntSelection['aliaslist'] #sel['selection']['aliaslist'] = cntSelection['aliaslist'] sel['selection']['selectiontype'] = selectionType if selectionType.upper() == "SCAN": sel['scanselection'] = True sel['mcaselection'] = False elif selectionType.upper() == "MCA": sel['scanselection'] = False sel['mcaselection'] = True else: sel['scanselection'] = False sel['mcaselection'] = False aliases = cntSelection['aliaslist'] if len(cntSelection['x']) and len(cntSelection['m']): addLegend = " (%s/%s) vs %s" % (aliases[yCnt], aliases[cntSelection['m'][0]], aliases[cntSelection['x'][0]]) elif len(cntSelection['x']): addLegend = " %s vs %s" % (aliases[yCnt], aliases[cntSelection['x'][0]]) elif len(cntSelection['m']): addLegend = " (%s/%s)" % (aliases[yCnt], aliases[cntSelection['m'][0]]) else: addLegend = " %s" % aliases[yCnt] sel['legend'] += addLegend selectionList.append(sel) if not emit: return selectionList self._lastAction = "%s" % ddict['action'] if len(selectionList): if selectionType.upper() in ["SCAN", "MCA"]: ddict = {} ddict['event'] = "SelectionTypeChanged" ddict['SelectionType'] = selectionType.upper() self.sigOtherSignals.emit(ddict) if action.upper() == "ADD": self.sigAddSelection.emit(selectionList) if action.upper() == "REMOVE": self.sigRemoveSelection.emit(selectionList) if action.upper() == "REPLACE": self.sigReplaceSelection.emit(selectionList) def currentSelectionList(self): ddict={} ddict['event'] = 'buttonClicked' ddict['action'] = 'ADD DUMMY' return self.buttonsSlot(ddict, emit=False) def getSelectedEntries(self): return self.hdf5Widget.getSelectedEntries() def closeEvent(self, event): keyList = self._widgetDict.keys() for key in keyList: self._widgetDict[key].close() del self._widgetDict[key] return qt.QWidget.closeEvent(self, event) def _checkWidgetDict(self): keyList = self._widgetDict.keys() for key in keyList: if self._widgetDict[key].isHidden(): del self._widgetDict[key] def customEvent(self, event): if hasattr(event, 'dict'): ddict = event.dict if 'event' in ddict: if ddict['event'] == "closeEventSignal": if ddict['id'] in self._widgetDict: if DEBUG: try: widget = self._widgetDict[ddict['id']] print("DELETING %s" % widget.windowTitle()) except: pass del self._widgetDict[ddict['id']] if __name__ == "__main__": import sys app = qt.QApplication(sys.argv) try: #this is to add the 3D buttons ... from PyMca5 import Object3D except: pass w = QNexusWidget() if 0: w.setFile(sys.argv[1]) else: from PyMca5.PyMcaCore import NexusDataSource dataSource = NexusDataSource.NexusDataSource(sys.argv[1:]) w.setDataSource(dataSource) def addSelection(sel): print(sel) def removeSelection(sel): print(sel) def replaceSelection(sel): print(sel) w.show() w.sigAddSelection.connect(addSelection) w.sigRemoveSelection.connect(removeSelection) w.sigReplaceSelection.connect(replaceSelection) sys.exit(app.exec_()) ��������������������������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/io/hdf5/Hdf5NodeView.py������������������������������������������������0000644�0002763�0000175�00000027613�13173631403�021547� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # Copyright (C) 2004-2017 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ """The :class:`Hdf5NodeView` widget in this module aims to replace :class:`HDF5DatasetTable` in :class:`QNexusWidget` for visualization of HDF5 datasets and groups, with support of NXdata groups as plot. It uses the silx :class:`DataViewerFrame` widget with views modified to handle plugins.""" __author__ = "P. Knobel - ESRF Data Analysis" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import os import numpy import PyMca5 from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaGui import CloseEventNotifyingWidget from PyMca5.PyMcaGui.PluginsToolButton import PluginsToolButton from silx.gui.data.DataViewerFrame import DataViewerFrame from silx.gui.data import DataViews from silx.gui.plot import Plot1D from silx.gui.data.NumpyAxesSelector import NumpyAxesSelector from silx.gui import icons PLUGINS_DIR = [] if os.path.exists(os.path.join(os.path.dirname(PyMca5.__file__), "PyMcaPlugins")): from PyMca5 import PyMcaPlugins PLUGINS_DIR.append(os.path.dirname(PyMcaPlugins.__file__)) else: directory = os.path.dirname(__file__) while True: if os.path.exists(os.path.join(directory, "PyMcaPlugins")): PLUGINS_DIR.append(os.path.join(directory, "PyMcaPlugins")) break directory = os.path.dirname(directory) if len(directory) < 5: break userPluginsDirectory = PyMca5.getDefaultUserPluginsDirectory() if userPluginsDirectory is not None: PLUGINS_DIR.append(userPluginsDirectory) class Plot1DWithPlugins(Plot1D): """Add a plugin toolbutton to a Plot1D""" def __init__(self, parent=None): Plot1D.__init__(self, parent) self._plotType = "SCAN" # needed by legacy plugins self._toolbar = qt.QToolBar(self) self.addToolBar(self._toolbar) pluginsToolButton = PluginsToolButton(plot=self, parent=self) if PLUGINS_DIR: pluginsToolButton.getPlugins( method="getPlugin1DInstance", directoryList=PLUGINS_DIR) self._toolbar.addWidget(pluginsToolButton) class Plot1DViewWithPlugins(DataViews._Plot1dView): """Overload Plot1DView to use the widget with a :class:`PluginsToolButton`""" def createWidget(self, parent): return Plot1DWithPlugins(parent=parent) class ArrayCurvePlotWithPlugins(qt.QWidget): """Add a plugin toolbutton to an ArrayCurvePlot widget""" def __init__(self, parent=None): qt.QWidget.__init__(self, parent) self.__signal = None self.__signal_name = None self.__signal_errors = None self.__axis = None self.__axis_name = None self.__axis_errors = None self.__values = None self.__first_curve_added = False self._plot = Plot1D(self) self._plot.setDefaultColormap( # for scatters {"name": "viridis", "vmin": 0., "vmax": 1., # ignored (autoscale) but mandatory "normalization": "linear", "autoscale": True}) self.selectorDock = qt.QDockWidget("Data selector", self._plot) # not closable self.selectorDock.setFeatures(qt.QDockWidget.DockWidgetMovable | qt.QDockWidget.DockWidgetFloatable) self._selector = NumpyAxesSelector(self.selectorDock) self._selector.setNamedAxesSelectorVisibility(False) self.__selector_is_connected = False self.selectorDock.setWidget(self._selector) self._plot.addTabbedDockWidget(self.selectorDock) layout = qt.QGridLayout() layout.setContentsMargins(0, 0, 0, 0) layout.addWidget(self._plot, 0, 0) self.setLayout(layout) # plugin support self._plot._plotType = "SCAN" # attribute needed by legacy plugins self._toolbar = qt.QToolBar(self) self._plot.addToolBar(self._toolbar) pluginsToolButton = PluginsToolButton(plot=self._plot, parent=self) if PLUGINS_DIR: pluginsToolButton.getPlugins( method="getPlugin1DInstance", directoryList=PLUGINS_DIR) self._toolbar.addWidget(pluginsToolButton) def setCurveData(self, y, x=None, values=None, yerror=None, xerror=None, ylabel=None, xlabel=None, title=None): """ :param y: dataset to be represented by the y (vertical) axis. For a scatter, this must be a 1D array and x and values must be 1-D arrays of the same size. In other cases, it can be a n-D array whose last dimension must have the same length as x (and values must be None) :param x: 1-D dataset used as the curve's x values. If provided, its lengths must be equal to the length of the last dimension of ``y`` (and equal to the length of ``value``, for a scatter plot). :param values: Values, to be provided for a x-y-value scatter plot. This will be used to compute the color map and assign colors to the points. :param yerror: 1-D dataset of errors for y, or None :param xerror: 1-D dataset of errors for x, or None :param ylabel: Label for Y axis :param xlabel: Label for X axis :param title: Graph title """ self.__signal = y self.__signal_name = ylabel or "Y" self.__signal_errors = yerror self.__axis = x self.__axis_name = xlabel self.__axis_errors = xerror self.__values = values if self.__selector_is_connected: self._selector.selectionChanged.disconnect(self._updateCurve) self.__selector_is_connected = False self._selector.setData(y) self._selector.setAxisNames([ylabel or "Y"]) if len(y.shape) < 2: self.selectorDock.hide() else: self.selectorDock.show() self._plot.setGraphTitle(title or "") self._plot.getXAxis().setLabel(self.__axis_name or "X") self._plot.getYAxis().setLabel(self.__signal_name) self._updateCurve() if not self.__selector_is_connected: self._selector.selectionChanged.connect(self._updateCurve) self.__selector_is_connected = True def _updateCurve(self): y = self._selector.selectedData() x = self.__axis if x is None: x = numpy.arange(len(y)) elif numpy.isscalar(x) or len(x) == 1: # constant axis x = x * numpy.ones_like(y) elif len(x) == 2 and len(y) != 2: # linear calibration a + b * x x = x[0] + x[1] * numpy.arange(len(y)) legend = self.__signal_name + "[" for sl in self._selector.selection(): if sl == slice(None): legend += ":, " else: legend += str(sl) + ", " legend = legend[:-2] + "]" if self.__signal_errors is not None: y_errors = self.__signal_errors[self._selector.selection()] else: y_errors = None self._plot.remove(kind=("curve", "scatter")) # values: x-y-v scatter if self.__values is not None: self._plot.addScatter(x, y, self.__values, legend=legend, xerror=self.__axis_errors, yerror=y_errors) else: self._plot.addCurve(x, y, legend=legend, xerror=self.__axis_errors, yerror=y_errors) self._plot.resetZoom() self._plot.getXAxis().setLabel(self.__axis_name) self._plot.getYAxis().setLabel(self.__signal_name) def clear(self): self._plot.clear() class NXdataCurveViewWithPlugins(DataViews._NXdataCurveView): """Use the widget with a :class:`PluginsToolButton`""" def createWidget(self, parent): return ArrayCurvePlotWithPlugins(parent=parent) class NXdataViewWithPlugins(DataViews.CompositeDataView): """Re-implement DataViews._NXdataView to use the 1D view with a plugin toolbutton in the composite view.""" def __init__(self, parent): super(NXdataViewWithPlugins, self).__init__( parent=parent, label="NXdata", icon=icons.getQIcon("view-nexus")) self.addView(DataViews._NXdataScalarView(parent)) self.addView(NXdataCurveViewWithPlugins(parent)) self.addView(DataViews._NXdataXYVScatterView(parent)) self.addView(DataViews._NXdataImageView(parent)) self.addView(DataViews._NXdataStackView(parent)) class DataViewerFrameWithPlugins(DataViewerFrame): """Overloaded DataViewerFrame with the 1D view replaced by Plot1DViewWithPlugins""" def createDefaultViews(self, parent=None): views = list(DataViewerFrame.createDefaultViews(self, parent=parent)) # replace 1d view oldView = [v for v in views if v.modeId() == DataViews.PLOT1D_MODE][0] newView = Plot1DViewWithPlugins(parent=parent) views[views.index(oldView)] = newView # replace NXdataView oldView = [v for v in views if isinstance(v, DataViews._NXdataView)][0] newView = NXdataViewWithPlugins(parent=parent) views[views.index(oldView)] = newView return views class Hdf5NodeView(CloseEventNotifyingWidget.CloseEventNotifyingWidget): """QWidget displaying data as raw values in a table widget, or as a curve, image or stack in a plot widget. It can also display information related to HDF5 groups (attributes, compression, ...) and interpret a NXdata group to plot its data. The plot features depend on *silx*'s availability. """ def __init__(self, parent=None): CloseEventNotifyingWidget.CloseEventNotifyingWidget.__init__(self, parent) self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(0) # # This should be the proper way of changing a single view without # # overloading DataViewerFrame. See silx issue #1183. # self.viewWidget = DataViewerFrame(self) # self.viewWidget.removeView( # self.viewWidget.getViewFromModeId(DataViews.PLOT1D_MODE)) # self.viewWidget.addView(Plot1DViewWithPlugins(self)) self.viewWidget = DataViewerFrameWithPlugins(self) self.mainLayout.addWidget(self.viewWidget) def setData(self, dataset): self.viewWidget.setData(dataset) ���������������������������������������������������������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/io/hdf5/__init__.py����������������������������������������������������0000644�0002763�0000175�00000000000�13136054446�021041� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/io/hdf5/HDF5DatasetTable.py��������������������������������������������0000644�0002763�0000175�00000004464�13136054446�022270� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaGui import CloseEventNotifyingWidget from PyMca5.PyMcaGui import NumpyArrayTableWidget class HDF5DatasetTable(CloseEventNotifyingWidget.CloseEventNotifyingWidget): def __init__(self, parent=None): CloseEventNotifyingWidget.CloseEventNotifyingWidget.__init__(self, parent) self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(0) self.arrayTableWidget = NumpyArrayTableWidget.NumpyArrayTableWidget(self) self.mainLayout.addWidget(self.arrayTableWidget) def setDataset(self, dataset): self.arrayTableWidget.setArrayData(dataset) ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/io/hdf5/HDF5Info.py����������������������������������������������������0000644�0002763�0000175�00000045622�13136054446�020627� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # Copyright (C) 2004-2017 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys from PyMca5.PyMcaGui import PyMcaQt as qt safe_str = qt.safe_str import copy import posixpath class HDFInfoCustomEvent(qt.QEvent): def __init__(self, ddict): if ddict is None: ddict = {} self.dict = ddict qt.QEvent.__init__(self, qt.QEvent.User) class VerticalSpacer(qt.QWidget): def __init__(self, *args): qt.QWidget.__init__(self, *args) self.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Fixed, qt.QSizePolicy.Expanding)) class SimpleInfoGroupBox(qt.QGroupBox): def __init__(self, parent, title=None, keys=None): qt.QGroupBox.__init__(self, parent) self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) if title is not None: self.setTitle(title) if keys is None: keys = [] self.keyList = keys self.keyDict = {} if len(self.keyList): self._build() def _build(self): i = 0 for key in self.keyList: label = qt.QLabel(self) label.setText(key) line = qt.QLineEdit(self) line.setReadOnly(True) self.mainLayout.addWidget(label, i, 0) self.mainLayout.addWidget(line, i, 1) self.keyDict[key] = (label, line) i += 1 def setInfoDict(self, ddict): if not len(self.keyList): self.keyList = ddict.keys() self._build() self._fillInfo(ddict) def _fillInfo(self, ddict0): ddict = self._getMappedDict(ddict0) actualKeys = list(ddict.keys()) dictKeys = [] for key in actualKeys: l = key.lower() if l not in dictKeys: dictKeys.append(l) for key in self.keyList: l = key.lower() if l in dictKeys: self._fillKey(key, ddict[actualKeys[dictKeys.index(l)]]) def _getMappedDict(self, ddict): #Default implementation returns a copy of the input dictionnary return copy.deepcopy(ddict) def _fillKey(self, key, value): #This can be overwritten if type(value) == type(""): self.keyDict[key][1].setText(value) else: self.keyDict[key][1].setText(safe_str(value)) class NameGroupBox(SimpleInfoGroupBox): def __init__(self, parent, title=None, keys=[]): SimpleInfoGroupBox.__init__(self, parent, title=title, keys=["Name", "Path", "Type"]) def setInfoDict(self, ddict): key = "Value" if key in ddict.keys(): if key not in self.keyList: self.keyList.append(key) label = qt.QLabel(self) label.setText(key) line = qt.QLineEdit(self) line.setReadOnly(True) i = self.keyList.index(key) self.mainLayout.addWidget(label, i, 0) self.mainLayout.addWidget(line, i, 1) self.keyDict[key] = (label, line) if 'Path' in ddict: if ddict['Path'] == "/": if 'Name' in ddict: self.keyDict['Name'][0].setText("File") SimpleInfoGroupBox.setInfoDict(self, ddict) class DimensionGroupBox(SimpleInfoGroupBox): def __init__(self, parent, title=None, keys=None): keys = ["No. of Dimension(s)", "Dimension Size(s)", "Data Type"] SimpleInfoGroupBox.__init__(self, parent, title=title, keys=keys) def _getMappedDict(self, ddict): return copy.deepcopy(ddict) class MembersGroupBox(qt.QGroupBox): def __init__(self, parent): qt.QGroupBox.__init__(self, parent) self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) self.setTitle("Group Members") self.label = qt.QLabel(self) self.label.setText("Number of members: 0") self.table = qt.QTableWidget(self) #labels = ["Name", "Type", "Shape", "Value"] labels = ["Name", "Value", "Type"] nlabels = len(labels) self.table.setColumnCount(nlabels) rheight = self.table.horizontalHeader().sizeHint().height() self.table.setMinimumHeight(12*rheight) self.table.setMaximumHeight(20*rheight) for i in range(nlabels): item = self.table.horizontalHeaderItem(i) if item is None: item = qt.QTableWidgetItem(labels[i], qt.QTableWidgetItem.Type) item.setText(labels[i]) self.table.setHorizontalHeaderItem(i, item) self._tableLabels = labels self.mainLayout.addWidget(self.label) self.mainLayout.addWidget(self.table) def setInfoDict(self, ddict): keylist = ddict.keys() if "members" not in keylist: self.hide() return keylist = ddict['members'] self.label.setText("Number of members: %d" % len(keylist)) nrows = len(keylist) if not nrows: self.table.setRowCount(nrows) self.hide() return self.table.setRowCount(nrows) if ddict['Path'] != '/': #this could distroy ordering ... keylist.sort() row = 0 for key in keylist: item = self.table.item(row, 0) if item is None: item = qt.QTableWidgetItem(key, qt.QTableWidgetItem.Type) item.setFlags(qt.Qt.ItemIsSelectable| qt.Qt.ItemIsEnabled) self.table.setItem(row, 0, item) else: item.setText(key) for label in self._tableLabels[1:]: if not label in ddict[key]: continue col = self._tableLabels.index(label) info = ddict[key][label] item = self.table.item(row, col) if item is None: item = qt.QTableWidgetItem(info, qt.QTableWidgetItem.Type) item.setFlags(qt.Qt.ItemIsSelectable| qt.Qt.ItemIsEnabled) self.table.setItem(row, col, item) else: item.setText(info) row += 1 for i in range(self.table.columnCount()): self.table.resizeColumnToContents(i) class HDF5GeneralInfoWidget(qt.QWidget): def __init__(self, parent=None, ddict=None): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) self.nameWidget = NameGroupBox(self) self.membersWidget = MembersGroupBox(self) self.dimensionWidget = DimensionGroupBox(self) self.mainLayout.addWidget(self.nameWidget) self.mainLayout.addWidget(self.membersWidget) self.mainLayout.addWidget(VerticalSpacer(self)) self.mainLayout.addWidget(self.dimensionWidget) self._notifyCloseEventToWidget = None if ddict is not None: self.setInfoDict(ddict) def setInfoDict(self, ddict): if 'general' in ddict: self._setInfoDict(ddict['general']) else: self._setInfoDict(ddict) def _setInfoDict(self, ddict): self.nameWidget.setInfoDict(ddict) self.membersWidget.setInfoDict(ddict) self.dimensionWidget.setInfoDict(ddict) if 'members' in ddict: if len(ddict['members']): #it is a datagroup self.dimensionWidget.hide() self.dimensionWidget.hide() class HDF5AttributesInfoWidget(qt.QWidget): def __init__(self, parent): qt.QGroupBox.__init__(self, parent) self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) self.label = qt.QLabel(self) self.label.setText("Number of members: 0") self.table = qt.QTableWidget(self) labels = ["Name", "Value", "Type", "Size"] self.table.setColumnCount(len(labels)) for i in range(len(labels)): item = self.table.horizontalHeaderItem(i) if item is None: item = qt.QTableWidgetItem(labels[i], qt.QTableWidgetItem.Type) item.setText(labels[i]) self.table.setHorizontalHeaderItem(i, item) self._tableLabels = labels self.mainLayout.addWidget(self.label) self.mainLayout.addWidget(self.table) def setInfoDict(self, ddict): if 'attributes' in ddict: self._setInfoDict(ddict['attributes']) else: self._setInfoDict(ddict) def _setInfoDict(self, ddict): keylist = ddict['names'] self.label.setText("Number of attributes: %d" % len(keylist)) nrows = len(keylist) if not nrows: self.table.setRowCount(nrows) self.hide() return self.table.setRowCount(nrows) keylist.sort() row = 0 for key in keylist: for label in self._tableLabels: if not label in ddict[key]: continue else: text = ddict[key][label] col = self._tableLabels.index(label) item = self.table.item(row, col) if item is None: item = qt.QTableWidgetItem(text, qt.QTableWidgetItem.Type) item.setFlags(qt.Qt.ItemIsSelectable| qt.Qt.ItemIsEnabled) self.table.setItem(row, col, item) else: item.setText(text) row += 1 #for i in range(self.table.columnCount()): self.table.resizeColumnToContents(1) self.table.resizeColumnToContents(3) class HDF5InfoWidget(qt.QTabWidget): def __init__(self, parent=None, info=None): qt.QTabWidget.__init__(self, parent) self._notifyCloseEventToWidget = [] self._build() if info is not None: self.setInfoDict(info) def sizeHint(self): return qt.QSize(2 * qt.QTabWidget.sizeHint(self).width(), qt.QTabWidget.sizeHint(self).height()) def _build(self): self.generalInfoWidget = HDF5GeneralInfoWidget(self) self.attributesInfoWidget = HDF5AttributesInfoWidget(self) self.addTab(self.generalInfoWidget, 'General') self.addTab(self.attributesInfoWidget, 'Attributes') def setInfoDict(self, ddict): self.generalInfoWidget.setInfoDict(ddict) self.attributesInfoWidget.setInfoDict(ddict) def notifyCloseEventToWidget(self, widget): if widget not in self._notifyCloseEventToWidget: self._notifyCloseEventToWidget.append(widget) def closeEvent(self, event): if len(self._notifyCloseEventToWidget): for widget in self._notifyCloseEventToWidget: ddict={} ddict['event'] = 'closeEventSignal' ddict['id'] = id(self) newEvent = HDFInfoCustomEvent(ddict) try: qt.QApplication.postEvent(widget, newEvent) except: print("Error notifying close event to widget", widget) self._notifyCloseEventToWidget = [] return qt.QWidget.closeEvent(self, event) def getInfo(hdf5File, node): """ hdf5File is and HDF5 file-like insance node is the posix path to the node """ data = hdf5File[node] ddict = {} ddict['general'] = {} ddict['attributes'] = {} externalFile = False if hasattr(hdf5File, "file"): if hasattr(hdf5File.file, "filename"): if data.file.filename != hdf5File.file.filename: externalFile = True if externalFile: path = node if path != "/": name = posixpath.basename(node) else: name = hdf5File.file.filename if data.name != node: path += " external link to %s" % data.name path += " in %s" % safe_str(data.file.filename) name += " external link to %s" % data.name name += " in %s" % safe_str(data.file.filename) else: name = data.name ddict['general']['Path'] = path ddict['general']['Name'] = name else: ddict['general']['Path'] = data.name if ddict['general']['Path'] != "/": ddict['general']['Name'] = posixpath.basename(data.name) else: ddict['general']['Name'] = data.file.filename ddict['general']['Type'] = safe_str(data) if hasattr(data, 'dtype'): if ("%s" % data.dtype).startswith("|S") or\ ("%s" % data.dtype).startswith("|O"): if hasattr(data, 'shape'): shape = data.shape if not len(shape): ddict['general']['Value'] = "%s" % data.value elif shape[0] == 1: ddict['general']['Value'] = "%s" % data.value[0] else: print("Warning: Node %s not fully understood" % node) ddict['general']['Value'] = "%s" % data.value elif hasattr(data, 'shape'): shape = data.shape if len(shape) == 1: if shape[0] == 1: ddict['general']['Value'] = "%s" % data.value[0] elif len(shape) == 0: ddict['general']['Value'] = "%s" % data.value if hasattr(data, "keys"): ddict['general']['members'] = list(data.keys()) elif hasattr(data, "listnames"): ddict['general']['members'] = list(data.listnames()) else: ddict['general']['members'] = [] for member in list(ddict['general']['members']): ddict['general'][member] = {} ddict['general'][member]['Name'] = safe_str(member) if ddict['general']['Path'] == "/": ddict['general'][member]['Type'] = safe_str(hdf5File[node+"/"+member]) continue memberObject = hdf5File[node][member] if hasattr(memberObject, 'shape'): ddict['general'][member]['Type'] = safe_str(hdf5File[node+"/"+member]) dtype = memberObject.dtype if hasattr(memberObject, 'shape'): shape = memberObject.shape if ("%s" % dtype).startswith("|S") or\ ("%s" % dtype).startswith("|O"): if not len(shape): ddict['general'][member]['Shape'] = "" ddict['general'][member]['Value'] = "%s" % memberObject.value else: ddict['general'][member]['Shape'] = shape[0] ddict['general'][member]['Value'] = "%s" % memberObject.value[0] continue if not len(shape): ddict['general'][member]['Shape'] = "" ddict['general'][member]['Value'] = "%s" % memberObject.value continue ddict['general'][member]['Shape'] = "%d" % shape[0] for i in range(1, len(shape)): ddict['general'][member]['Shape'] += " x %d" % shape[i] if len(shape) == 1: if shape[0] == 1: ddict['general'][member]['Value'] = "%s" % memberObject.value[0] else: ddict['general'][member]['Value'] = "%s, ..., %s" % (memberObject.value[0], memberObject.value[-1]) elif len(shape) == 2: ddict['general'][member]['Value'] = "%s, ..., %s" % (memberObject.value[0], memberObject.value[-1]) else: pass else: ddict['general'][member]['Type'] = safe_str(hdf5File[node+"/"+member]) if hasattr(data.attrs, "keys"): ddict['attributes']['names'] = data.attrs.keys() elif hasattr(data.attrs, "listnames"): ddict['attributes']['names'] = data.attrs.listnames() else: ddict['attributes']['names'] = [] if sys.version >= '3.0.0': ddict['attributes']['names'] = list(ddict['attributes']['names']) ddict['attributes']['names'].sort() for key in ddict['attributes']['names']: ddict['attributes'][key] = {} Name = key Value = data.attrs[key] Type = safe_str(type(Value)) if type(Value) == type(""): Size = "%d" % len(Value) elif type(Value) in [type(1), type(0.0)]: Value = safe_str(Value) Size = "1" else: Value = safe_str(Value) Size = "Unknown" ddict['attributes'][key]['Name'] = Name ddict['attributes'][key]['Value'] = Value ddict['attributes'][key]['Type'] = Type ddict['attributes'][key]['Size'] = Size return ddict if __name__ == "__main__": if len(sys.argv) < 3: print("Usage:") print("python HDF5Info.py hdf5File node") sys.exit(0) import h5py h=h5py.File(sys.argv[1], "r") node = sys.argv[2] info = getInfo(h, node) app = qt.QApplication([]) w = HDF5InfoWidget() w.setInfoDict(info) w.show() sys.exit(app.exec_()) ��������������������������������������������������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/io/QSourceSelector.py��������������������������������������������������0000644�0002763�0000175�00000026724�13136054446�021563� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # Copyright (C) 2004-2017 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os from PyMca5.PyMcaGui import PyMcaQt as qt QTVERSION = qt.qVersion() from PyMca5.PyMcaGui import PyMca_Icons as icons from PyMca5.PyMcaIO import spswrap as sps from PyMca5 import PyMcaDirs from PyMca5.PyMcaGui.io import PyMcaFileDialogs DEBUG = 0 class QSourceSelector(qt.QWidget): sigSourceSelectorSignal = qt.pyqtSignal(object) def __init__(self, parent=None, filetypelist=None, pluginsIcon=False): qt.QWidget.__init__(self, parent) self.mainLayout= qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(0) if filetypelist is None: self.fileTypeList = ["Spec Files (*mca)", "Spec Files (*dat)", "Spec Files (*spec)", "SPE Files (*SPE)", "EDF Files (*edf)", "EDF Files (*ccd)", "CSV Files (*csv)", "All Files (*)"] else: self.fileTypeList = filetypelist self.lastFileFilter = self.fileTypeList[0] # --- file combo/open/close self.lastInputDir = PyMcaDirs.inputDir self.fileWidget= qt.QWidget(self) fileWidgetLayout= qt.QHBoxLayout(self.fileWidget) fileWidgetLayout.setContentsMargins(0, 0, 0, 0) fileWidgetLayout.setSpacing(0) self.fileCombo = qt.QComboBox(self.fileWidget) self.fileCombo.setEditable(0) self.mapCombo= {} openButton= qt.QToolButton(self.fileWidget) self.openIcon = qt.QIcon(qt.QPixmap(icons.fileopen)) self.closeIcon = qt.QIcon(qt.QPixmap(icons.fileclose)) self.reloadIcon = qt.QIcon(qt.QPixmap(icons.reload_)) self.specIcon = qt.QIcon(qt.QPixmap(icons.spec)) openButton.setIcon(self.openIcon) openButton.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Fixed, qt.QSizePolicy.Minimum)) openButton.setToolTip("Open new file data source") closeButton= qt.QToolButton(self.fileWidget) closeButton.setIcon(self.closeIcon) closeButton.setToolTip("Close current data source") refreshButton= qt.QToolButton(self.fileWidget) refreshButton.setIcon(self.reloadIcon) refreshButton.setToolTip("Refresh data source") specButton= qt.QToolButton(self.fileWidget) specButton.setIcon(self.specIcon) specButton.setToolTip("Open new shared memory source") closeButton.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Fixed, qt.QSizePolicy.Minimum)) specButton.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Fixed, qt.QSizePolicy.Minimum)) refreshButton.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Fixed, qt.QSizePolicy.Minimum)) openButton.clicked.connect(self._openFileSlot) closeButton.clicked.connect(self.closeFile) refreshButton.clicked.connect(self._reload) specButton.clicked.connect(self.openSpec) self.fileCombo.activated[str].connect(self._fileSelection) fileWidgetLayout.addWidget(self.fileCombo) fileWidgetLayout.addWidget(openButton) fileWidgetLayout.addWidget(closeButton) fileWidgetLayout.addWidget(specButton) if sys.platform == "win32":specButton.hide() fileWidgetLayout.addWidget(refreshButton) self.specButton = specButton if pluginsIcon: self.pluginsButton = qt.QToolButton(self.fileWidget) self.pluginsButton.setIcon(qt.QIcon(qt.QPixmap(icons.plugin))) self.pluginsButton.setToolTip("Plugin handling") fileWidgetLayout.addWidget(self.pluginsButton) self.mainLayout.addWidget(self.fileWidget) def _reload(self): if DEBUG: print("_reload called") qstring = self.fileCombo.currentText() if not len(qstring): return key = qt.safe_str(qstring) ddict = {} ddict["event"] = "SourceReloaded" ddict["combokey"] = key ddict["sourcelist"] = self.mapCombo[key] * 1 self.sigSourceSelectorSignal.emit(ddict) def _openFileSlot(self): self.openFile(None, None) def openSource(self, sourcename, specsession=None): if specsession is None: if sourcename in sps.getspeclist(): specsession=True else: specsession=False self.openFile(sourcename, specsession=specsession) def openFile(self, filename=None, justloaded=None, specsession = False): if DEBUG: print("openfile = ",filename) staticDialog = False if not specsession: if justloaded is None: justloaded = True if filename is None: if self.lastInputDir is not None: if not os.path.exists(self.lastInputDir): self.lastInputDir = None wdir = self.lastInputDir filelist, fileFilter = PyMcaFileDialogs.getFileList(self, filetypelist=self.fileTypeList, message="Open a new source file", currentdir=wdir, mode="OPEN", getfilter=True, single=False, currentfilter=self.lastFileFilter) if not len(filelist): return if not len(filelist[0]): return filename=[] for f in filelist: filename.append(qt.safe_str(f)) if not len(filename): return if len(filename): self.lastInputDir = os.path.dirname(filename[0]) PyMcaDirs.inputDir = os.path.dirname(filename[0]) self.lastFileFilter = fileFilter justloaded = True if justloaded: if type(filename) != type([]): filename = [filename] if not os.path.exists(filename[0]): if '%' not in filename[0]: raise IOError("File %s does not exist" % filename[0]) #check if it is a stack if len(filename) > 1: key = "STACK from %s to %s" % (filename[0], filename[-1]) else: key = os.path.basename(filename[0]) else: key = filename if key not in sps.getspeclist(): qt.QMessageBox.critical(self, "SPS Error", "No shared memory source named %s" % key) return ddict = {} ddict["event"] = "NewSourceSelected" if key in self.mapCombo.keys(): if self.mapCombo[key] == filename: #Reloaded event ddict["event"] = "SourceReloaded" else: i = 0 while key in self.mapCombo.keys(): key += "_%d" % i ddict["combokey"] = key ddict["sourcelist"] = filename self.mapCombo[key] = filename if ddict["event"] =="NewSourceSelected": nitems = self.fileCombo.count() self.fileCombo.insertItem(nitems, key) self.fileCombo.setCurrentIndex(nitems) else: if hasattr(qt, "QString"): nitem = self.fileCombo.findText(qt.QString(key)) else: nitem = self.fileCombo.findText(key) self.fileCombo.setCurrentIndex(nitem) self.sigSourceSelectorSignal.emit(ddict) def closeFile(self): if DEBUG: print("closeFile called") #get current combobox key qstring = self.fileCombo.currentText() if not len(qstring): return key = qt.safe_str(qstring) ddict = {} ddict["event"] = "SourceClosed" ddict["combokey"] = key ddict["sourcelist"] = self.mapCombo[key] * 1 if hasattr(qt, "QString"): nitem = self.fileCombo.findText(qt.QString(key)) else: nitem = self.fileCombo.findText(key) self.fileCombo.removeItem(nitem) del self.mapCombo[key] self.sigSourceSelectorSignal.emit(ddict) def openSpec(self): speclist = sps.getspeclist() if not len(speclist): qt.QMessageBox.information(self, "No SPEC Shared Memory Found", "No shared memory source available") return if QTVERSION < '4.0.0': print("should I keep Qt3 version?") return menu = qt.QMenu() for spec in speclist: if hasattr(qt, "QString"): menu.addAction(qt.QString(spec), lambda i=spec:self.openFile(i, specsession=True)) else: menu.addAction(spec, lambda i=spec:self.openFile(i, specsession=True)) menu.exec_(self.cursor().pos()) def _fileSelection(self, qstring): if DEBUG: print("file selected ", qstring) key = str(qstring) ddict = {} ddict["event"] = "SourceSelected" ddict["combokey"] = key ddict["sourcelist"] = self.mapCombo[key] self.sigSourceSelectorSignal.emit(ddict) def test(): a = qt.QApplication(sys.argv) #new access from PyMca5.PyMcaGui.pymca import QDataSource w= QSourceSelector() def mySlot(ddict): print(ddict) if ddict["event"] == "NewSourceSelected": d = QDataSource.QDataSource(ddict["sourcelist"][0]) w.specfileWidget.setDataSource(d) w.sigSourceSelectorSignal.connect(mySlot) a.lastWindowClosed.connect(a.quit) w.show() a.exec_() if __name__=="__main__": test() ��������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/PyMcaQt.py�������������������������������������������������������������0000644�0002763�0000175�00000015715�13136054446�017406� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # Copyright (C) 2004-2016 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import traceback """ This module simplifies writing code that has to deal with with PySide and PyQt4. """ # force cx_freeze to consider sip among the modules to add # to the binary packages if (('PySide' in sys.modules) or (hasattr(sys, 'argv') and 'PySide' in sys.argv)): # argv might not be defined for embedded python (e.g., in Qt designer) from PySide.QtCore import * from PySide.QtGui import * try: from PySide.QtSvg import * except: pass try: from PySide.QtOpenGL import * except: pass pyqtSignal = Signal #matplotlib has difficulties to identify PySide try: import matplotlib matplotlib.rcParams['backend.qt4']='PySide' except: pass elif "PyQt5" in sys.modules: try: import sip except: # PyQt5 always uses API 2 pass from PyQt5.QtCore import * from PyQt5.QtGui import * from PyQt5.QtWidgets import * from PyQt5.QtPrintSupport import * try: from PyQt5.QtOpenGL import * except: pass try: from PyQt5.QtSvg import * except: pass else: if sys.version < "3.0.0": try: import sip sip.setapi("QString", 2) sip.setapi("QVariant", 2) except: print("Cannot set sip API") # Console widget not available try: from PyQt4.QtCore import * from PyQt4.QtGui import * try: from PyQt4.QtOpenGL import * except: pass try: from PyQt4.QtSvg import * except: pass except ImportError: try: # try PySide from PySide.QtCore import * from PySide.QtGui import * try: from PySide.QtSvg import * except: pass try: from PySide.QtOpenGL import * except: pass pyqtSignal = Signal #matplotlib has difficulties to identify PySide try: import matplotlib matplotlib.rcParams['backend.qt4']='PySide' except: pass except ImportError: from PyQt5.QtCore import * from PyQt5.QtGui import * from PyQt5.QtWidgets import * from PyQt5.QtPrintSupport import * try: from PyQt5.QtOpenGL import * except: pass try: from PyQt5.QtSvg import * except: pass # provide a exception handler but not implement it by default def exceptionHandler(type_, value, trace): print("%s %s %s" % (type_, value, ''.join(traceback.format_tb(trace)))) msg = QMessageBox() msg.setWindowTitle("Unhandled exception") msg.setIcon(QMessageBox.Critical) msg.setInformativeText("%s %s\nPlease report details" % (type_, value)) msg.setDetailedText(("%s " % value) + ''.join(traceback.format_tb(trace))) msg.raise_() msg.exec_() # Overwrite the QFileDialog to make sure that by default it # returns non-native dialogs as it was the traditional behavior of Qt _QFileDialog = QFileDialog class QFileDialog(_QFileDialog): def __init__(self, *args, **kwargs): try: _QFileDialog.__init__(self, *args, **kwargs) except: # not all versions support kwargs _QFileDialog.__init__(self, *args) try: self.setOptions(_QFileDialog.DontUseNativeDialog) except: print("WARNING: Cannot force default QFileDialog behavior") class HorizontalSpacer(QWidget): def __init__(self, *args): QWidget.__init__(self, *args) self.setSizePolicy(QSizePolicy(QSizePolicy.Expanding, QSizePolicy.Fixed)) class VerticalSpacer(QWidget): def __init__(self, *args): QWidget.__init__(self, *args) self.setSizePolicy(QSizePolicy(QSizePolicy.Fixed, QSizePolicy.Expanding)) if sys.version < '3.0': import types # perhaps a better name would be safe unicode? # should this method be a more generic tool to # be found outside PyMcaQt? def safe_str(potentialQString): if type(potentialQString) == types.StringType or\ type(potentialQString) == types.UnicodeType: return potentialQString try: # default, just str x = str(potentialQString) except UnicodeEncodeError: # try user OS file system encoding # expected to be 'mbcs' under windows # and 'utf-8' under MacOS X try: x = unicode(potentialQString, sys.getfilesystemencoding()) return x except: # on any error just keep going pass # reasonable tries are 'utf-8' and 'latin-1' # should I really go beyond those? # In fact, 'utf-8' is the default file encoding for python 3 encodingOptions = ['utf-8', 'latin-1', 'utf-16', 'utf-32'] for encodingOption in encodingOptions: try: x = unicode(potentialQString, encodingOption) break except UnicodeDecodeError: if encodingOption == encodingOptions[-1]: raise return x else: safe_str = str ���������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/__init__.py������������������������������������������������������������0000644�0002763�0000175�00000004474�13136054446�017627� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import os import glob def getPackages(directory): packages = [] fileList = glob.glob(os.path.join(directory, "*", "__init__.py")) for fileName in fileList: dirName = os.path.dirname(fileName) packages.append(dirName) packages += getPackages(dirName) return packages from .plotting import PyMca_Icons, PyMcaPrintPreview from .plotting.PyMca_Icons import IconDict # this is the package level directory PyMcaGui baseDirectory = os.path.dirname(__file__) __path__ += [baseDirectory] for directory in ["io", "math", "misc", "physics", "plotting", "pymca"]: tmpDir = os.path.join(baseDirectory, directory) if os.path.exists(os.path.join(tmpDir, "__init__.py")): __path__ += [tmpDir] __path__ += getPackages(tmpDir) ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/physics/���������������������������������������������������������������0000755�0002763�0000175�00000000000�13205526235�017164� 5����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/physics/__init__.py����������������������������������������������������0000644�0002763�0000175�00000003320�13136054446�021276� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import os __path__ += [os.path.join(os.path.dirname(__file__), "xas")] __path__ += [os.path.join(os.path.dirname(__file__), "xrf")] ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/physics/xrf/�����������������������������������������������������������0000755�0002763�0000175�00000000000�13205526235�017763� 5����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/physics/xrf/FitParam.py������������������������������������������������0000644�0002763�0000175�00000165331�13136054446�022054� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2016 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "E. Papillon & V. Armando Sole - ESRF Software Group" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import traceback from PyMca5.PyMcaGui import PyMcaQt as qt QTVERSION = qt.qVersion() from PyMca5.PyMcaIO import ConfigDict from PyMca5.PyMcaGui import PyMca_Icons as Icons import os.path import copy from PyMca5.PyMcaPhysics import Elements from .FitParamForm import FitParamForm from .FitPeakSelect import FitPeakSelect from . import AttenuatorsTable from . import ConcentrationsWidget from . import EnergyTable from PyMca5.PyMcaCore import PyMcaDirs from PyMca5.PyMcaGui import PyMcaFileDialogs XRFMC_FLAG = False try: from . import XRFMCPyMca XRFMC_FLAG = True except ImportError: print("XRFMC_TO_BE_IMPORTED") # no XRFMC support pass from PyMca5.PyMcaGui.math import StripBackgroundWidget from PyMca5.PyMcaGui import PlotWindow from PyMca5.PyMcaGui.physics.xrf import StrategyHandler import numpy DEBUG = 0 FitParamSections= ["fit", "detector", "peaks", "peakshape", "attenuators","concentrations"] FitParamHeaders= ["FIT", "DETECTOR","BEAM","PEAKS", "PEAK SHAPE", "ATTENUATORS","MATRIX","CONCENTRATIONS"] class FitParamWidget(FitParamForm): attenuators= ["Filter 0", "Filter 1", "Filter 2", "Filter 3", "Filter 4", "Filter 5", "Filter 6","Filter 7","BeamFilter0", "BeamFilter1","Detector", "Matrix"] def __init__(self, parent=None): FitParamForm.__init__(self, parent) self._channels = None self._counts = None self._stripDialog = None self._strategyDialog = None self._info = None self.setWindowIcon(qt.QIcon(qt.QPixmap(Icons.IconDict["gioconda16"]))) self.tabAtt = qt.QWidget() tabAttLayout = qt.QGridLayout(self.tabAtt) tabAttLayout.setContentsMargins(11, 11, 11, 11) tabAttLayout.setSpacing(6) self.graphDialog = qt.QDialog(self) self.graphDialog.mainLayout = qt.QVBoxLayout(self.graphDialog) self.graphDialog.mainLayout.setContentsMargins(0, 0, 0, 0) self.graphDialog.mainLayout.setSpacing(0) self.graphDialog.graph = PlotWindow.PlotWindow(self.graphDialog, newplot=False, plugins=False, fit=False) self.graph = self.graphDialog.graph self.graph._togglePointsSignal() self.tabAttenuators = AttenuatorsTable.AttenuatorsTab(self.tabAtt, graph=self.graphDialog) self.graphDialog.mainLayout.addWidget(self.graph) self.graphDialog.okButton = qt.QPushButton(self.graphDialog) self.graphDialog.okButton.setText('OK') self.graphDialog.okButton.setAutoDefault(True) self.graphDialog.mainLayout.addWidget(self.graphDialog.okButton) self.graphDialog.okButton.clicked.connect( \ self.graphDialog.accept) self.attTable = self.tabAttenuators.table #self.multilayerTable =self.tabAttenuators.matrixTable tabAttLayout.addWidget(self.tabAttenuators,0,0) self.mainTab.addTab(self.tabAtt, str("ATTENUATORS")) maxheight = qt.QDesktopWidget().height() #self.graph.hide() self.attPlotButton = qt.QPushButton(self.tabAttenuators) self.attPlotButton.setAutoDefault(False) text = 'Plot T(filters) * (1 - T(detector)) Efficienty Term' self.attPlotButton.setText(text) self.tabAttenuators.layout().insertWidget(1, self.attPlotButton) self.attPlotButton.clicked.connect(self.__attPlotButtonSlot) if maxheight < 801: self.setMaximumHeight(int(0.8*maxheight)) self.setMinimumHeight(int(0.8*maxheight)) #This was previously into FitParamForm.py: END self.tabMul = qt.QWidget() tabMultilayerLayout = qt.QGridLayout(self.tabMul) tabMultilayerLayout.setContentsMargins(11, 11, 11, 11) tabMultilayerLayout.setSpacing(6) self.tabMultilayer = AttenuatorsTable.MultilayerTab(self.tabMul) self.multilayerTable =self.tabMultilayer.matrixTable tabMultilayerLayout.addWidget(self.tabMultilayer,0,0) self.mainTab.addTab(self.tabMul, str("MATRIX")) self.matrixGeometry = self.tabMultilayer.matrixGeometry #The concentrations self.tabConcentrations = qt.QWidget() tabConcentrationsLayout = qt.QGridLayout(self.tabConcentrations) tabConcentrationsLayout.setContentsMargins(11, 11, 11, 11) tabConcentrationsLayout.setSpacing(6) self.concentrationsWidget = ConcentrationsWidget.ConcentrationsWidget(self.tabConcentrations,"tabConcentrations") tabConcentrationsLayout.addWidget(self.concentrationsWidget,0,0) self.mainTab.addTab(self.tabConcentrations, str("CONCENTRATIONS")) #end concentrations tab #self.matrixGeometry = self.tabAttenuators.matrixGeometry if 0: #The compound fit tab self.tabCompoundFit = qt.QWidget() tabCompoundFitLayout = qt.QGridLayout(self.tabCompoundFit) tabCompoundFitLayout.setContentsMargins(11, 11, 11, 11) tabCompoundFitLayout.setSpacing(6) self.compoundFitWidget = AttenuatorsTable.CompoundFittingTab(self.tabCompoundFit, "tabCompound_fit") tabCompoundFitLayout.addWidget(self.compoundFitWidget,0,0) self.mainTab.addTab(self.tabCompoundFit, str("COMPOUND FIT")) #end compound fit tab if XRFMC_FLAG: self.tabXRFMC = qt.QWidget() tabXRFMCLayout = qt.QGridLayout(self.tabXRFMC) tabXRFMCLayout.setContentsMargins(11, 11, 11, 11) tabXRFMCLayout.setSpacing(6) self.tabXRFMCWidget = XRFMCPyMca.XRFMCTabWidget(\ self.tabXRFMC) tabXRFMCLayout.addWidget(self.tabXRFMCWidget,0,0) self.mainTab.addTab(self.tabXRFMC, str("XRFMC")) self.layout().setContentsMargins(0, 0, 0, 0) if "PyQt4" in sys.modules: #I had to add this line to prevent a crash. Why? qApp = qt.QApplication.instance() qApp.processEvents() else: qt.QApplication.instance().processEvents() self.attTable.verticalHeader().hide() #The beam energies tab beamlayout= qt.QGridLayout(self.TabBeam) self.energyTab = EnergyTable.EnergyTab(self.TabBeam) beamlayout.addWidget(self.energyTab, 0, 0) self.energyTable = self.energyTab.table #the x-ray tube (if any) self.xRayTube = self.energyTab.tube #The peak select tab layout= qt.QGridLayout(self.TabPeaks) if 0: self.peakTable= FitPeakSelect(self.TabPeaks) layout.addWidget(self.peakTable, 0, 0) self.peakTable.setMaximumSize(self.tabDetector.sizeHint()) else: self.peakTable= FitPeakSelect(self.TabPeaks, energyTable=self.energyTable) self.peakTable.energy.setToolTip("Energy is set in the BEAM tab") maxWidth = int(min(900, 0.8*qt.QDesktopWidget().width())) self.peakTable.setMaximumWidth(maxWidth) layout.addWidget(self.peakTable, 0, 0) #self.peakTable.setMaximumSize(self.tabDetector.sizeHint()) #self.energyTable = self.peakTable.energyTable self._inputParameters = None self.linpolOrder= None self.exppolOrder= None pardict={'attenuators':{'Air' :[0,"Air",0.001204790,1.0], 'Contact' :[0,"Au1",19.370,1.0E-06], 'Deadlayer' :[0,"Si1",2.330,0.0020], 'Window' :[0,"Be1",1.848,0.0100]}, 'concentrations':self.concentrationsWidget.getParameters()} if XRFMC_FLAG: pardict = self.tabXRFMCWidget.getParameters() # TODO: This line makes PySide crash self.setParameters(pardict=pardict) self.prevTabIdx= None self.tabLabel= [] n = self.mainTab.count() for idx in range(n): self.tabLabel.append(qt.safe_str(self.mainTab.tabText(idx))) self.mainTab.currentChanged[int].connect(self.__tabChanged) self.contCombo.activated[int].connect(self.__contComboActivated) self.functionCombo.activated[int].connect(self.__functionComboActivated) self.orderSpin.valueChanged[int].connect(self.__orderSpinChanged) self._backgroundWindow = None self.stripSetupButton.clicked.connect(self.__stripSetupButtonClicked) # strategy related self.strategyCheckBox.clicked.connect(self._strategyCheckBoxClicked) self.strategySetupButton.clicked.connect(self._strategySetupButtonClicked) self.strategyCombo.activated[int].connect(self._strategyComboActivated) # calibration update handling related self.ignoreSpectrumCalibration.clicked.connect( \ self.__ignoreSpectrumCalibrationClicked) def __ignoreSpectrumCalibrationClicked(self): return self._ignoreSpectrumCalibrationClicked() def _ignoreSpectrumCalibrationClicked(self): if not self.ignoreSpectrumCalibration.isChecked(): # update the values with the received ones (if any) if self._info is not None: calibration = self._info.get('calibration', []) if calibration is not None: if len(calibration) > 1: self.zeroValue.setText("%f" % calibration[0]) self.gainValue.setText("%f" % calibration[1]) def __attPlotButtonSlot(self): try: self.computeEfficiency() except: msg=qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) text = "Error %s" % sys.exc_info()[1] msg.setInformativeText(text) msg.setDetailedText(traceback.format_exc()) msg.exec_() def computeEfficiency(self): pars = self.__getAttPar() attenuators = [] funnyfilters = [] detector = [] for key in pars.keys(): if pars[key][0]: l = key.lower() if l.startswith('matrix') or l.startswith('beamfilter'): continue if l.startswith('detector'): detector.append(pars[key][1:]) else: if abs(pars[key][4] - 1.0) > 1.0e-10: funnyfilters.append(pars[key][1:]) else: attenuators.append(pars[key][1:]) maxenergy = qt.safe_str(self.peakTable.energy.text()) if maxenergy=='None': maxenergy = 100. energies = numpy.arange(1, maxenergy, 0.1) else: maxenergy = float(maxenergy) if maxenergy < 50: energies = numpy.arange(1, maxenergy, 0.01) elif maxenergy > 100: energies = numpy.arange(1, maxenergy, 0.1) else: energies = numpy.arange(1, maxenergy, 0.02) efficiency = numpy.ones(len(energies), numpy.float) if (len(attenuators)+len(detector)+len(funnyfilters)) != 0: massatt = Elements.getMaterialMassAttenuationCoefficients if len(attenuators): coeffs = numpy.zeros(len(energies), numpy.float) for attenuator in attenuators: formula = attenuator[0] thickness = attenuator[1] * attenuator[2] coeffs += thickness *\ numpy.array(massatt(formula,1.0,energies)['total']) efficiency *= numpy.exp(-coeffs) if len(funnyfilters): coeffs = numpy.zeros(len(energies), numpy.float) funnyfactor = None for attenuator in funnyfilters: formula = attenuator[0] thickness = attenuator[1] * attenuator[2] if funnyfactor is None: funnyfactor = attenuator[3] else: if abs(attenuator[3]-funnyfactor) > 0.0001: raise ValueError("All funny type filters must have same openning fraction") coeffs += thickness *\ numpy.array(massatt(formula,1.0,energies)['total']) efficiency *= (funnyfactor * numpy.exp(-coeffs)+\ (1.0 - funnyfactor)) if len(detector): detector = detector[0] formula = detector[0] thickness = detector[1] * detector[2] coeffs = thickness *\ numpy.array(massatt(formula,1.0,energies)['total']) efficiency *= (1.0 - numpy.exp(-coeffs)) self.graph.setGraphTitle('Filter (not beam filter) and detector correction') self.graph.addCurve(energies, efficiency, legend='Ta * (1.0 - Td)', xlabel='Energy (keV)', ylabel='Efficiency Term', replace=True) self.graphDialog.exec_() def __contComboActivated(self, idx): if idx==4: self.orderSpin.setEnabled(1) self.orderSpin.setValue(self.linpolOrder or 1) elif idx==5: self.orderSpin.setEnabled(1) self.orderSpin.setValue(self.exppolOrder or 1) else: self.orderSpin.setEnabled(0) def __functionComboActivated(self, idx): if idx==0: #hypermet flag = 1 pass else: #hypermet flag = 0 pass def __orderSpinChanged(self, value): continuum= int(self.contCombo.currentIndex()) if continuum==4: self.linpolOrder= self.orderSpin.value() elif continuum==5: self.exppolOrder= self.orderSpin.value() def setData(self, x, y, info=None): self._channels = x self._counts = y self._info = info autoTime = info.get("time", None) self.concentrationsWidget.setTimeFactor(autoTime, signal=False) def _strategyCheckBoxClicked(self, *var): if self.strategyCheckBox.isChecked(): maxEnergy = qt.safe_str(self.peakTable.energy.text()) if maxEnergy == 'None': self.strategyCheckBox.setChecked(False) msg=qt.QMessageBox(self) msg.setWindowTitle("Strategy Error") msg.setIcon(qt.QMessageBox.Critical) msg.setText("Error configuring strategy") msg.setInformativeText("You need to specify incident beam energy") msg.exec_() #print("TO check for matrix composition") #print("TO check for peaks") def _strategySetupButtonClicked(self): maxEnergy = qt.safe_str(self.peakTable.energy.text()) if maxEnergy == 'None': self.strategyCheckBox.setChecked(False) msg=qt.QMessageBox(self) msg.setWindowTitle("Strategy Error") msg.setIcon(qt.QMessageBox.Critical) msg.setText("Error configuring strategy") msg.setInformativeText("You need to specify incident beam energy") msg.exec_() return if self._strategyDialog is None: self._strategyDialog = StrategyHandler.StrategyHandlerDialog(self.parent()) self._strategyDialog.setWindowIcon(qt.QIcon(\ qt.QPixmap(Icons.IconDict["gioconda16"]))) if self.height() < 801: self._strategyDialog.setMinimumHeight(int(0.85*self.height())) self._strategyDialog.setMaximumHeight(int(0.85*self.height())) before = self.getParameters() try: self._strategyDialog.setFitConfiguration(before) except: msg=qt.QMessageBox(self) msg.setWindowTitle("Strategy Error: %s" % \ qt.safe_str(sys.exc_info()[1])) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Error configuring strategy") msg.setInformativeText(qt.safe_str(sys.exc_info()[1])) msg.setDetailedText(traceback.format_exc()) msg.exec_() return self._strategyDialog.raise_() ret = self._strategyDialog.exec_() if ret != qt.QDialog.Accepted: self._strategyDialog.setFitConfiguration(before) def _strategyComboActivated(self, intValue): # only one strategy implemented untill now pass def __stripSetupButtonClicked(self): if self._counts is None: msg=qt.QMessageBox(self) msg.setWindowTitle("No data supplied") msg.setIcon(qt.QMessageBox.Information) msg.setText("Please enter the values in the fields") msg.exec_() return pars = self.__getFitPar() y = numpy.ravel(numpy.array(self._counts)).astype(numpy.float) x = numpy.ravel(numpy.array(self._channels)) if self._stripDialog is None: self._stripDialog = StripBackgroundWidget.StripBackgroundDialog(self) self._stripDialog.setWindowIcon(qt.QIcon(\ qt.QPixmap(Icons.IconDict["gioconda16"]))) if self.height() < 801: self._stripDialog.setMinimumHeight(int(0.85*self.height())) self._stripDialog.setMaximumHeight(int(0.85*self.height())) self._stripDialog.setParameters(pars) self._stripDialog.setData(x, y) ret = self._stripDialog.exec_() if not ret: return pars = self._stripDialog.getParameters() key = "stripalgorithm" if key in pars: stripAlgorithm = int(pars[key]) self.setSNIP(stripAlgorithm) key = "snipwidth" if key in pars: self.snipWidthSpin.setValue(int(pars[key])) key = "stripwidth" if key in pars: self.stripWidthSpin.setValue(int(pars[key])) key = "stripiterations" if key in pars: self.stripIterValue.setText("%d" % int(pars[key])) key = "stripfilterwidth" if key in pars: self.stripFilterSpin.setValue(int(pars[key])) key = "stripanchorsflag" if key in pars: self.stripAnchorsFlagCheck.setChecked(int(pars[key])) key = "stripanchorslist" if key in pars: anchorslist = pars[key] if anchorslist in [None, 'None']: anchorslist = [] for spin in self.stripAnchorsList: spin.setValue(0) i = 0 for value in anchorslist: self.stripAnchorsList[i].setValue(int(value)) i += 1 def __tabChanged(self, idx): if self.prevTabIdx is None: self.prevTabIdx= idx if idx != self.prevTabIdx: if self.__tabCheck(self.prevTabIdx): self.prevTabIdx= idx def __tabCheck(self, tabIdx): label= self.tabLabel[tabIdx] if self.__getPar(label) is None: return 0 return 1 def __get(self, section, key, default=0., conv=str): sect = self._inputParameters.get(section, None) if sect is None: ret = default else: ret = sect.get(key, default) if (conv is not None) and (ret is not None) and (ret != "None"): return conv(ret) else: return ret def __setInput(self, ndict): if self._inputParameters is None: self._inputParameters = {} self._inputParameters.update(ndict) def setParameters(self, pardict=None): if pardict is None: pardict={} self.__setInput(pardict) self.__setFitPar() self.__setPeaksPar() self.__setAttPar(pardict) self.__setMultilayerPar(pardict) self.__setConPar(pardict) self.__setDetPar() self.__setPeakShapePar() if "tube" in pardict: self.xRayTube.setParameters(pardict["tube"]) if "xrfmc" in pardict: if XRFMC_FLAG: self.tabXRFMCWidget.setParameters(pardict) def getParameters(self): pars = copy.deepcopy(self._inputParameters) sections = FitParamSections * 1 sections.append('multilayer') sections.append('materials') sections.append('tube') if XRFMC_FLAG: sections.append('xrfmc') for key in sections: pars[key]= self.__getPar(key) if self._strategyDialog is not None: pars.update(self._strategyDialog.getParameters()) return pars def __getPar(self, parname): if parname in ["fit", "FIT"]: return self.__getFitPar() if parname in ["detector", "DETECTOR"]: return self.__getDetPar() if parname in ["peaks", "PEAKS"]: return self.__getPeaksPar() if parname in ["peakshape", "PEAK SHAPE"]: return self.__getPeakShapePar() if parname in ["attenuators", "ATTENUATORS"]: return self.__getAttPar() if parname in ["multilayer", "MULTILAYER"]: return self.__getMultilayerPar() if parname in ["materials", "MATERIALS"]: return self.__getMaterialsPar() if parname in ["tube", "TUBE"]: return self.__getTubePar() if parname in ["concentrations", "CONCENTRATIONS"]: return self.__getConPar() if parname in ["xrfmc", "XRFMC"]: if XRFMC_FLAG: return self.tabXRFMCWidget.getParameters()["xrfmc"] return None def __setAttPar(self, pardict): if "attenuators" in pardict.keys(): attenuatorsList = list(pardict['attenuators'].keys()) else: attenuatorsList = [] if "materials" in pardict.keys(): for key in pardict["materials"]: filteredkey = Elements.getMaterialKey(key) if filteredkey is None: Elements.Material[key] = copy.deepcopy(pardict['materials'][key]) else: Elements.Material[filteredkey] = copy.deepcopy(pardict['materials'][key]) matlist = list(Elements.Material.keys()) matlist.sort() #lastrow = -1 lastrow = -1 for idx in range(len(self.attenuators)): if idx < len(attenuatorsList): att = attenuatorsList[idx] else: att= self.attenuators[idx] if att.upper() == "MATRIX": attpar= self.__get("attenuators", att, [0, "MULTILAYER", 0., 0., 45., 45.], None) row = self.attTable.rowCount() - 1 current={'Material': attpar[1], 'Density': attpar[2], 'Thickness': attpar[3], 'AlphaIn': attpar[4], 'AlphaOut': attpar[5]} if len(attpar) == 8: current['AlphaScatteringFlag'] = attpar[6] current['AlphaScattering'] = attpar[7] else: current['AlphaScatteringFlag'] = 0 self.matrixGeometry.setParameters(current) elif att.upper() == "BEAMFILTER0": attpar= self.__get("attenuators", att, [0, "-", 0., 0.], None) row = self.attTable.rowCount() - 4 elif att.upper() == "BEAMFILTER1": attpar= self.__get("attenuators", att, [0, "-", 0., 0.], None) row = self.attTable.rowCount() - 3 elif att.upper() == "DETECTOR": attpar= self.__get("attenuators", att, [0, "-", 0., 0.], None) row = self.attTable.rowCount() - 2 else: attpar= self.__get("attenuators", att, [0, "-", 0., 0.], None) lastrow += 1 row = lastrow self.attTable.cellWidget(row, 0).setChecked(int(attpar[0])) self.attTable.setText(row, 1, att) #self.attTable.setText(idx, 2, str(attpar[1])) combo = self.attTable.cellWidget(row, 2) if combo is not None: if att.upper() == "MATRIX": combo.setOptions(matlist+["MULTILAYER"]) else: combo.setOptions(matlist) combo.lineEdit().setText(str(attpar[1])) else: print("ERROR in __setAttPar") if len(attpar) == 4: attpar.append(1.0) self.attTable.setText(row, 3, str(attpar[2])) self.attTable.setText(row, 4, str(attpar[3])) if att.upper() not in ["MATRIX", "DETECTOR", "BEAMFILTER1", "BEAMFILTER2"]: self.attTable.setText(row, 5, str(attpar[4])) else: self.attTable.setText(row, 5, "1.0") current = self.tabAttenuators.editor.matCombo.currentText() self.tabAttenuators.editor.matCombo.setOptions(matlist) #force update of all the parameters if current in matlist: self.tabAttenuators.editor.matCombo._mySignal(current) def __getAttPar(self): pars= {} for idx in range(self.attTable.rowCount()): #att= self.attenuators[idx] att = str(self.attTable.text(idx,1)) attpar= [] attpar.append(int(self.attTable.cellWidget(idx,0).isChecked())) attpar.append(str(self.attTable.text(idx,2))) try: attpar.append(float(str(self.attTable.text(idx, 3)))) attpar.append(float(str(self.attTable.text(idx, 4)))) if att.upper() == "MATRIX": attpar.append(self.matrixGeometry.getParameters("AlphaIn")) attpar.append(self.matrixGeometry.getParameters("AlphaOut")) attpar.append(self.matrixGeometry.getParameters("AlphaScatteringFlag")) attpar.append(self.matrixGeometry.getParameters("AlphaScattering")) else: attpar.append(float(str(self.attTable.text(idx, 5)))) except: if att.upper() not in ["MATRIX"]: attpar= [0, '-', 0., 0., 1.0] else: attpar= [0, '-', 0., 0., 45.0, 45.0, 0, 90.0] self.__parError("ATTENUATORS", "Attenuators parameters error on:\n%s\nI reset it to zero." % \ self.attenuators[idx]) pars[att]= attpar return pars def __setMultilayerPar(self, pardict): if "multilayer" in pardict.keys(): attenuatorsList = list(pardict['multilayer'].keys()) else: attenuatorsList = [] matlist = list(Elements.Material.keys()) matlist.sort() #lastrow = -1 lastrow = -1 lastrow=-1 for idx in range(max(self.multilayerTable.rowCount(),len(attenuatorsList))): att= "Layer%d" % idx attpar= self.__get("multilayer", att, [0, "-", 0., 0.], None) lastrow += 1 row = lastrow self.multilayerTable.cellWidget(row, 0).setChecked(int(attpar[0])) self.multilayerTable.setText(row, 1, att) #self.attTable.setText(idx, 2, str(attpar[1])) combo = self.multilayerTable.cellWidget(row, 2) if combo is not None: combo.setOptions(matlist) combo.lineEdit().setText(str(attpar[1])) else: print("ERROR in __setAttPar") self.multilayerTable.setText(row, 3, str(attpar[2])) self.multilayerTable.setText(row, 4, str(attpar[3])) def __getMultilayerPar(self): pars= {} for idx in range(self.multilayerTable.rowCount()): #att= self.attenuators[idx] att = str(self.multilayerTable.text(idx,1)) attpar= [] attpar.append(int(self.multilayerTable.cellWidget(idx,0).isChecked())) attpar.append(str(self.multilayerTable.text(idx,2))) try: #if 1: attpar.append(float(str(self.multilayerTable.text(idx, 3)))) attpar.append(float(str(self.multilayerTable.text(idx, 4)))) #else: except: attpar= [0, '-', 0., 0.] self.__parError("ATTENUATORS", "Multilayer parameters error on:\n%s\nReset it to zero." % att) pars[att]= attpar return pars def __getTubePar(self): pars = self.xRayTube.getParameters() return pars def __getMaterialsPar(self): pars = {} for key in Elements.Material.keys(): pars[key] = copy.deepcopy(Elements.Material[key]) return pars def __setConPar(self, pardict): if 'concentrations' in pardict: self.concentrationsWidget.setParameters(pardict['concentrations']) def __getConPar(self): return self.concentrationsWidget.getParameters() def __setPeakShapePar(self): hypermetflag = (self.__get("fit", "hypermetflag", 1, int)) if hypermetflag: index = 0 else: index = 1 self.functionCombo.setCurrentIndex(index) self.staCheck.setChecked(self.__get("peakshape", "fixedst_arearatio", 0, int)) self.staValue.setText(self.__get("peakshape", "st_arearatio")) self.staError.setText(self.__get("peakshape","deltast_arearatio")) self.stsCheck.setChecked(self.__get("peakshape","fixedst_sloperatio", 0, int)) self.stsValue.setText(self.__get("peakshape","st_sloperatio")) self.stsError.setText(self.__get("peakshape","deltast_sloperatio")) self.ltaCheck.setChecked(self.__get("peakshape","fixedlt_arearatio", 0, int)) self.ltaValue.setText(self.__get("peakshape","lt_arearatio")) self.ltaError.setText(self.__get("peakshape","deltalt_arearatio")) self.ltsCheck.setChecked(self.__get("peakshape","fixedlt_sloperatio", 0, int)) self.ltsValue.setText(self.__get("peakshape","lt_sloperatio")) self.ltsError.setText(self.__get("peakshape","deltalt_sloperatio")) self.shCheck.setChecked(self.__get("peakshape","fixedstep_heightratio", 0, int)) self.shValue.setText(self.__get("peakshape","step_heightratio")) self.shError.setText(self.__get("peakshape","deltastep_heightratio")) self.etaCheck.setChecked(self.__get("peakshape","fixedeta_factor", 0, int)) eta = self.__get("peakshape","eta_factor", 0.2, str) self.etaValue.setText(eta) deltaeta = self.__get("peakshape","deltaeta_factor", 0.2, str) if float(deltaeta) > float(eta): deltaeta = eta self.etaError.setText(deltaeta) def __getPeakShapePar(self): pars= {} try: err= "Short Tail Area Value" pars["st_arearatio"]= float(str(self.staValue.text())) err= "Short Tail Area Error" pars["deltast_arearatio"]= float(str(self.staError.text())) pars["fixedst_arearatio"]= int(self.staCheck.isChecked()) err= "Short Tail Slope Value" pars["st_sloperatio"]= float(str(self.stsValue.text())) err= "Short Tail Slope Error" pars["deltast_sloperatio"]= float(str(self.stsError.text())) pars["fixedst_sloperatio"]= int(self.stsCheck.isChecked()) err= "Long Tail Area Value" pars["lt_arearatio"]= float(str(self.ltaValue.text())) err= "Long Tail Area Error" pars["deltalt_arearatio"]= float(str(self.ltaError.text())) pars["fixedlt_arearatio"]= int(self.ltaCheck.isChecked()) err= "Long Tail Slope Value" pars["lt_sloperatio"]= float(str(self.ltsValue.text())) err= "Long Tail Slope Error" pars["deltalt_sloperatio"]= float(str(self.ltsError.text())) pars["fixedlt_sloperatio"]= int(self.ltsCheck.isChecked()) err= "Step Heigth Value" pars["step_heightratio"]= float(str(self.shValue.text())) err= "Step Heigth Error" pars["deltastep_heightratio"]= float(str(self.shError.text())) pars["fixedstep_heightratio"]= int(self.shCheck.isChecked()) err= "Eta Factor Value" pars["eta_factor"]= float(str(self.etaValue.text())) err= "Step Heigth Error" pars["deltaeta_factor"]= float(str(self.etaError.text())) pars["fixedeta_factor"]= int(self.etaCheck.isChecked()) return pars except: self.__parError("PEAK SHAPE", "Peak Shape Parameter error on:\n%s" % err) return None def __setFitPar(self): #Default 10 eV separation between two peaks only accessible #through file editing for the time being #self.deltaOnePeak = self.__get("fit", "deltaonepeak", 0.010) self.linpolOrder= self.__get("fit", "linpolorder", 1, int) self.exppolOrder= self.__get("fit", "exppolorder", 1, int) continuum= self.__get("fit", "continuum", 0, int) self.contCombo.setCurrentIndex(continuum) self.__contComboActivated(continuum) self.fitWeight = self.__get("fit", "fitweight", 1, int) self.weightCombo.setCurrentIndex(self.fitWeight) stripAlgorithm = self.__get("fit", "stripalgorithm", 0, int) self.setSNIP(stripAlgorithm) self.snipWidthSpin.setValue(self.__get("fit", "snipwidth", 20, int)) self.stripWidthSpin.setValue(self.__get("fit", "stripwidth", 1, int)) self.stripFilterSpin.setValue(self.__get("fit", "stripfilterwidth", 1, int)) self.stripAnchorsFlagCheck.setChecked(self.__get("fit", "stripanchorsflag", 0, int)) anchorslist = self.__get("fit", "stripanchorslist", [0, 0, 0, 0], None) if anchorslist is None:anchorslist = [] for spin in self.stripAnchorsList: spin.setValue(0) i = 0 for value in anchorslist: self.stripAnchorsList[i].setValue(value) i += 1 #self.stripConstValue.setText(self.__get("fit", "stripconstant",1.0)) #self.stripConstValue.setDisabled(1) self.stripIterValue.setText(self.__get("fit", "stripiterations",20000)) self.chi2Value.setText(self.__get("fit", "deltachi")) self.linearFitFlagCheck.setChecked(self.__get("fit", "linearfitflag", 0, int)) self.iterSpin.setValue(self.__get("fit", "maxiter", 5, int)) self.minSpin.setValue(self.__get("fit", "xmin", 0, int)) self.maxSpin.setValue(self.__get("fit", "xmax", 16384, int)) self.regionCheck.setChecked(self.__get("fit", "use_limit", 0, int)) self.stripCheck.setChecked(self.__get("fit", "stripflag", 0, int)) self.escapeCheck.setChecked(self.__get("fit", "escapeflag", 0, int)) self.sumCheck.setChecked(self.__get("fit", "sumflag", 0, int)) self.scatterCheck.setChecked(self.__get("fit", "scatterflag", 0, int)) hypermetflag= self.__get("fit", "hypermetflag", 1, int) shortflag= (hypermetflag >> 1) & 1 longflag= (hypermetflag >> 2) & 1 stepflag= (hypermetflag >> 3) & 1 self.shortCheck.setChecked(shortflag) self.longCheck.setChecked(longflag) self.stepCheck.setChecked(stepflag) energylist = self.__get("fit", "energy", None, None) if type(energylist) != type([]): energy = self.__get("fit", "energy", None, float) energylist = [energy] weightlist = [1.0] flaglist = [1] scatterlist = [1] else: energy = energylist[0] weightlist = self.__get("fit", "energyweight", None, None) flaglist = self.__get("fit", "energyflag", None, None) scatterlist = self.__get("fit", "energyscatter", None, None) self.energyTable.setParameters(energylist, weightlist, flaglist, scatterlist) self.strategyCheckBox.setChecked(self.__get("fit", "strategyflag", 0, int)) def __getFitPar(self): pars= {} #Default 10 eV separation between two peaks accessible through file pars['deltaonepeak'] = self.__get("fit", "deltaonepeak", 0.010, float) err = "__getFitPar" #if 1: # fot the time being is nto necessary to read the combo box and # ask the strategy handler pars["strategy"] = "SingleLayerStrategy" pars["strategyflag"] = int(self.strategyCheckBox.isChecked()) try: pars["fitfunction"]= int(self.functionCombo.currentIndex()) pars["continuum"]= int(self.contCombo.currentIndex()) pars["fitweight"]= int(self.weightCombo.currentIndex()) pars["stripalgorithm"] = int(self.stripCombo.currentIndex()) pars["linpolorder"]= self.linpolOrder or 1 pars["exppolorder"]= self.exppolOrder or 1 #pars["stripconstant"]= float(str(self.stripConstValue.text())) pars["stripconstant"]= 1.0 pars["snipwidth"] = self.snipWidthSpin.value() pars["stripiterations"]= int(str(self.stripIterValue.text())) pars["stripwidth"]= self.stripWidthSpin.value() pars["stripfilterwidth"] = self.stripFilterSpin.value() pars["stripanchorsflag"] = int(self.stripAnchorsFlagCheck.isChecked()) pars["stripanchorslist"] = [] for spin in self.stripAnchorsList: pars["stripanchorslist"].append(spin.value()) pars["maxiter"]= self.iterSpin.value() err= "Minimum Chi2 difference" pars["deltachi"]= float(str(self.chi2Value.text())) pars["xmin"]= self.minSpin.value() pars["xmax"]= self.maxSpin.value() pars["linearfitflag"] = int(self.linearFitFlagCheck.isChecked()) pars["use_limit"]= int(self.regionCheck.isChecked()) pars["stripflag"]= int(self.stripCheck.isChecked()) pars["escapeflag"]= int(self.escapeCheck.isChecked()) pars["sumflag"]= int(self.sumCheck.isChecked()) pars["scatterflag"]= int(self.scatterCheck.isChecked()) shortflag= int(self.shortCheck.isChecked()) longflag= int(self.longCheck.isChecked()) stepflag= int(self.stepCheck.isChecked()) index = pars['fitfunction'] if index == 0: hypermetflag = 1 else: hypermetflag = 0 if hypermetflag: pars["hypermetflag"]= 1 + shortflag*2 + longflag*4 + stepflag*8 else: pars["hypermetflag"]= 0 pars['energy'],pars['energyweight'],pars['energyflag'], pars['energyscatter']= \ self.energyTable.getParameters() return pars #else: except: self.__parError("FIT", "Fit parameter error on:\n%s" % err) return None def __setPeaksPar(self): pars= self._inputParameters.get("peaks", {}) self.peakTable.setSelection(pars) def __getPeaksPar(self): return self.peakTable.getSelection() def __setDetPar(self): elt= self.__get("detector", "detele", "Si") for idx in range(self.elementCombo.count()): if str(self.elementCombo.itemText(idx))==elt: self.elementCombo.setCurrentIndex(idx) break #self.energyValue0.setText(self.__get("detector", "detene")) #self.energyValue1.setText("0.0") #self.intensityValue0.setText(self.__get("detector", "detint", "1.0")) #self.intensityValue1.setText("0.0") self.nEscapeThreshold.setValue(self.__get("detector", "nthreshold",4,int)) self.zeroValue.setText(self.__get("detector", "zero")) self.zeroError.setText(self.__get("detector", "deltazero")) self.zeroCheck.setChecked(self.__get("detector", "fixedzero", 0, int)) self.gainValue.setText(self.__get("detector", "gain")) self.gainError.setText(self.__get("detector", "deltagain")) self.gainCheck.setChecked(self.__get("detector", "fixedgain", 0, int)) self.noiseValue.setText(self.__get("detector", "noise")) self.noiseError.setText(self.__get("detector", "deltanoise")) self.noiseCheck.setChecked(self.__get("detector", "fixednoise", 0, int)) self.fanoValue.setText(self.__get("detector", "fano")) self.fanoError.setText(self.__get("detector", "deltafano")) self.fanoCheck.setChecked(self.__get("detector", "fixedfano", 0, int)) self.sumfacValue.setText(self.__get("detector", "sum")) self.sumfacError.setText(self.__get("detector", "deltasum")) self.sumfacCheck.setChecked(self.__get("detector", "fixedsum", 0, int)) self.ignoreSpectrumCalibration.setChecked( \ self.__get("detector", "ignoreinputcalibration", 0, int)) def __getDetPar(self): pars= {} try: #if 1: err= "Detector Element" pars["detele"]= str(self.elementCombo.currentText()) #err= "First Escape Energy Value" #pars["detene"]= float(str(self.energyValue0.text())) #err= "Second Escape Energy Value" #pars["energy1"]= float(str(self.energyValue1.text())) #err= "First Escape Energy Intensity" #pars["detint"]= float(str(self.intensityValue0.text())) #err= "Second Escape Energy Intensity" #pars["intensity1"]= float(str(self.intensityValue1.text())) err= "Maximum Number of Escape Peaks" pars["nthreshold"] = int(self.nEscapeThreshold.value()) err= "Spectrometer Zero value" pars["zero"]= float(str(self.zeroValue.text())) err= "Spectrometer Zero error" pars["deltazero"]= float(str(self.zeroError.text())) pars["fixedzero"]= int(self.zeroCheck.isChecked()) err= "Spectrometer Gain value" pars["gain"]= float(str(self.gainValue.text())) err= "Spectrometer Gain error" pars["deltagain"]= float(str(self.gainError.text())) pars["fixedgain"]= int(self.gainCheck.isChecked()) err= "Detector Noise value" pars["noise"]= float(str(self.noiseValue.text())) err= "Detector Noise error" pars["deltanoise"]= float(str(self.noiseError.text())) pars["fixednoise"]= int(self.noiseCheck.isChecked()) err= "Fano Factor value" pars["fano"]= float(str(self.fanoValue.text())) err= "Fano Factor error" pars["deltafano"]= float(str(self.fanoError.text())) pars["fixedfano"]= int(self.fanoCheck.isChecked()) err= "Sum Factor value" pars["sum"]= float(str(self.sumfacValue.text())) err= "Sum Factor error" pars["deltasum"]= float(str(self.sumfacError.text())) pars["fixedsum"]= int(self.sumfacCheck.isChecked()) pars["ignoreinputcalibration"] = \ int(self.ignoreSpectrumCalibration.isChecked()) return pars #else: except: self.__parError("DETECTOR", "Detector parameter error on:\n%s"%err) return None def __parError(self, tab, message): idx= self.tabLabel.index(tab) self.prevTabIdx= idx self.mainTab.setCurrentIndex(idx) qt.QMessageBox.critical(self, "ERROR on %s"%tab, message, qt.QMessageBox.Ok, qt.QMessageBox.NoButton, qt.QMessageBox.NoButton) class SectionFileDialog(qt.QFileDialog): def __init__(self, parent=None, name="SectionFileDialog", sections=[], labels=None, mode=None,modal =1, initdir=None): qt.QFileDialog.__init__(self, parent) self.setModal(modal) self.setWindowTitle(name) #layout = qt.QHBoxLayout(self) if hasattr(qt, "QStringList"): strlist = qt.QStringList() else: strlist = [] strlist.append("Config Files *.cfg") strlist.append("All Files *") self.setFilters(strlist) if initdir is not None: if os.path.isdir(initdir): if hasattr(qt, "QString"): self.setDir(qt.QString(initdir)) else: self.setDir(qt.safe_str(initdir)) if DEBUG: print("right to be added") if 0: self.sectionWidget= SectionFileWidget(self, sections=sections, labels=labels) self.layout().addWidget(self.sectionWidget) if mode is not None: self.setFileMode(mode) def getFilename(self): filename= qt.safe_str(self.selectedFiles()[0]) filetype= qt.safe_str(self.selectedFilter()) if filetype.find("Config")==0: fileext= os.path.splitext(filename)[1] if not len(fileext): filename= "%s.cfg"%filename return filename def getSections(self): return self.sectionWidget.getSections() class SectionFileWidget(qt.QWidget): def __init__(self, parent=None, name="FitParamSectionWidget", sections=[], labels=None, fl=0): qt.QWidget.__init__(self, parent) layout= qt.QVBoxLayout(self) self.sections= sections if labels is None: self.labels = [] for label in self.sections: self.labels.append(label.upper()) else: self.labels= labels group= qt.QGroupBox("Read sections", self) group.setAlignment(qt.Qt.Vertical) group.layout = qt.QVBoxLayout(group) layout.addWidget(group) self.allCheck= qt.QCheckBox("ALL", group) group.layout.addWidget(self.allCheck) self.check= {} for (sect, txt) in zip(self.sections, self.labels): self.check[sect]= qt.QCheckBox(txt, group) if QTVERSION > '4.0.0': group.layout.addWidget(self.check[sect]) self.allCheck.setChecked(1) self.__allClicked() self.allCheck.clicked.connect(self.__allClicked) def __allClicked(self): state= self.allCheck.isChecked() for but in self.check.values(): but.setChecked(state) but.setDisabled(state) def getSections(self): if self.allCheck.isChecked(): return None else: sections= [] for sect in self.check.keys(): if self.check[sect].isChecked(): sections.append(sect) return sections class FitParamDialog(qt.QDialog): def __init__(self, parent=None, name="FitParam", modal=1, fl=0, initdir = None, fitresult=None): qt.QDialog.__init__(self, parent) self.setWindowTitle("PyMca - MCA Fit Parameters") self.setWindowIcon(qt.QIcon(qt.QPixmap(Icons.IconDict["gioconda16"]))) self.initDir = initdir layout= qt.QVBoxLayout(self) layout.setContentsMargins(5, 5, 5, 5) layout.setSpacing(5) self.fitparam= FitParamWidget(self) layout.addWidget(self.fitparam) self.setData = self.fitparam.setData #buts= qt.QButtonGroup(4, qt.Qt.Horizontal, self) buts= qt.QGroupBox(self) buts.layout = qt.QHBoxLayout(buts) loadfit = qt.QPushButton(buts) loadfit.setAutoDefault(False) loadfit.setText("Load From Fit") loadfit.setToolTip("Take non linear parameters\nfrom last fit") self.fitresult = fitresult load= qt.QPushButton(buts) load.setAutoDefault(False) load.setText("Load") save= qt.QPushButton(buts) save.setAutoDefault(False) save.setText("Save") reject= qt.QPushButton(buts) reject.setAutoDefault(False) reject.setText("Cancel") accept= qt.QPushButton(buts) accept.setAutoDefault(False) accept.setText("OK") if loadfit is not None: buts.layout.addWidget(loadfit) buts.layout.addWidget(load) buts.layout.addWidget(save) buts.layout.addWidget(reject) buts.layout.addWidget(accept) layout.addWidget(buts) self.loadfit = loadfit if self.fitresult is None: self.loadfit.setEnabled(False) else: self.loadfit.setEnabled(True) maxheight = qt.QDesktopWidget().height() maxwidth = qt.QDesktopWidget().width() self.setMaximumWidth(maxwidth) self.setMaximumHeight(maxheight) self.resize(qt.QSize(min(800, maxwidth), min(int(0.7 * maxheight), 750))) self.loadfit.clicked.connect(self.__loadFromFit) load.clicked.connect(self.load) save.clicked.connect(self.save) reject.clicked.connect(self.reject) accept.clicked.connect(self.accept) def setParameters(self, pars): actualPars = pars if 'fit' not in pars: if 'result' in pars: if 'config' in pars['result']: #we are dealing with a .fit file ... if 'fit' in pars['result']['config']: actualPars = pars['result']['config'] return self.fitparam.setParameters(actualPars) def getParameters(self): return self.fitparam.getParameters() def loadParameters(self, filename, sections=None): cfg= ConfigDict.ConfigDict() if sections is not None: if 'attenuators' in sections: sections.append('materials') sections.append('multilayer') try: #if 1: cfg.read(filename, sections) self.initDir = os.path.dirname(filename) except: #else: #self.initDir = None msg=qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) text = "Error %s" % sys.exc_info()[1] msg.setInformativeText(text) msg.setDetailedText(traceback.format_exc()) msg.exec_() return 0 self.setParameters(copy.deepcopy(cfg)) return 1 def __copyElementsMaterial(self): pars = {} for material in Elements.Material.keys(): pars[material] = {} for key in Elements.Material[material].keys(): pars[material][key] = Elements.Material[material][key] return pars def saveParameters(self, filename, sections=None): pars= self.getParameters() if sections is None: pars['materials'] = self.__copyElementsMaterial() elif 'attenuators' in sections: pars['materials'] = self.__copyElementsMaterial() sections.append('materials') sections.append('multilayer') cfg= ConfigDict.ConfigDict(initdict=pars) if sections is not None: for key in list(cfg.keys()): if key not in sections: del cfg[key] try: cfg.write(filename, sections) self.initDir = os.path.dirname(filename) return 1 except: qt.QMessageBox.critical(self, "Save Parameters", "ERROR while saving parameters to\n%s"%filename, qt.QMessageBox.Ok, qt.QMessageBox.NoButton, qt.QMessageBox.NoButton) #self.initDir = None return 0 def setFitResult(self, result = None): self.fitresult = result if result is None: self.loadfit.setEnabled(False) else: self.loadfit.setEnabled(True) def __loadFromFit(self): """ Fill nonlinear parameters from last fit """ if self.fitresult is None: text = "Sorry. No fit parameters to be loaded.\n" text += "You need to have performed a fit." qt.QMessageBox.critical(self, "No fit data", text, qt.QMessageBox.Ok, qt.QMessageBox.NoButton, qt.QMessageBox.NoButton) return #detector zero = self.fitresult['fittedpar'][self.fitresult['parameters'].index('Zero')] gain = self.fitresult['fittedpar'][self.fitresult['parameters'].index('Gain')] noise= self.fitresult['fittedpar'][self.fitresult['parameters'].index('Noise')] fano = self.fitresult['fittedpar'][self.fitresult['parameters'].index('Fano')] sumf = self.fitresult['fittedpar'][self.fitresult['parameters'].index('Sum')] self.fitparam.zeroValue.setText("%.6g" % zero) self.fitparam.gainValue.setText("%.6g" % gain) self.fitparam.noiseValue.setText("%.6g" % noise) self.fitparam.fanoValue.setText("%.6g" % fano) self.fitparam.sumfacValue.setText("%.6g" % sumf) #peak shape hypermetflag = self.fitresult['config']['fit']['hypermetflag'] fitfunction = self.fitresult['config']['fit'].get('fitfunction', 0) if (fitfunction == 0) and (hypermetflag == 0): fitfunction = 1 if fitfunction == 1: name = 'Eta Factor' if name in self.fitresult['parameters']: value = self.fitresult['fittedpar'] \ [self.fitresult['parameters'].index(name)] self.fitparam.etaValue.setText("%.6g" % value) deltaeta = min(value, float(self.fitparam.etaError.text())) self.fitparam.etaError.setText("%.6g" % deltaeta) elif hypermetflag > 1: # hypermetnames = ['ST AreaR', 'ST SlopeR', # 'LT AreaR', 'LT SlopeR', # 'STEP HeightR'] name = 'ST AreaR' if name in self.fitresult['parameters']: value = self.fitresult['fittedpar'] \ [self.fitresult['parameters'].index(name)] self.fitparam.staValue.setText("%.6g" % value) name = 'ST SlopeR' if name in self.fitresult['parameters']: value = self.fitresult['fittedpar'] \ [self.fitresult['parameters'].index(name)] self.fitparam.stsValue.setText("%.6g" % value) name = 'LT AreaR' if name in self.fitresult['parameters']: value = self.fitresult['fittedpar'] \ [self.fitresult['parameters'].index(name)] self.fitparam.ltaValue.setText("%.6g" % value) name = 'LT SlopeR' if name in self.fitresult['parameters']: value = self.fitresult['fittedpar'] \ [self.fitresult['parameters'].index(name)] self.fitparam.ltsValue.setText("%.6g" % value) name = 'STEP HeightR' if name in self.fitresult['parameters']: value = self.fitresult['fittedpar'] \ [self.fitresult['parameters'].index(name)] self.fitparam.shValue.setText("%.6g" % value) text = "If you do not use an exponential background, " text += "you can now ask the program to perform a linear " text += "fit, save the configuration, and you will be ready " text += "for a speedy batch." qt.QMessageBox.information(self, "Batch tip", text) def load(self): if self.initDir is None: self.initDir = PyMcaDirs.inputDir filename = PyMcaFileDialogs.getFileList(self, filetypelist=["Fit configuration files (*.cfg)", "All Files (*)"], mode="OPEN", message="Choose fit configuration file", currentdir=self.initDir, single=True) if len(filename): filename = qt.safe_str(filename[0]) if len(filename): self.loadParameters(filename, None) self.initDir = os.path.dirname(filename) def save(self): #diag= SectionFileDialog(self, "Save Parameters", FitParamSections, FitParamHeaders, qt.QFileDialog.AnyFile) if self.initDir is None: self.initDir = PyMcaDirs.outputDir filename = PyMcaFileDialogs.getFileList(self, filetypelist=["Fit configuration files (*.cfg)"], mode="SAVE", message="Enter output fit configuration file", currentdir=self.initDir, single=True) if len(filename): filename = qt.safe_str(filename[0]) if len(filename): if not filename.endswith(".cfg"): filename += ".cfg" self.saveParameters(filename, None) self.initDir = os.path.dirname(filename) def openWidget(): app= qt.QApplication(sys.argv) app.lastWindowClosed.connect(app.quit) wid= FitParamWidget() app.setMainWidget(wid) wid.show() app.exec_loop() def openDialog(): app= qt.QApplication(sys.argv) app.lastWindowClosed.connect(app.quit) wid= FitParamDialog(modal=1) ret = wid.exec_() if ret == qt.QDialog.Accepted: npar = wid.getParameters() print(npar) del wid app.quit() if __name__=="__main__": #openWidget() openDialog() �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/physics/xrf/McaAdvancedFit.py������������������������������������������0000644�0002763�0000175�00000363171�13136054446�023144� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2017 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os import numpy import time import copy import tempfile import shutil import traceback from PyMca5.PyMcaGui import PyMcaQt as qt if hasattr(qt, "QString"): QString = qt.QString else: QString = qt.safe_str QTVERSION = qt.qVersion() from PyMca5.PyMcaGui import QPyMcaMatplotlibSave1D MATPLOTLIB = True #force understanding of utf-8 encoding #otherways it cannot generate svg output try: import encodings.utf_8 except: #not a big problem pass from PyMca5.PyMcaPhysics.xrf import ClassMcaTheory FISX = ClassMcaTheory.FISX if FISX: FisxHelper = ClassMcaTheory.FisxHelper from . import FitParam from . import McaAdvancedTable from . import QtMcaAdvancedFitReport from . import ConcentrationsWidget from PyMca5.PyMcaPhysics.xrf import ConcentrationsTool from PyMca5.PyMcaGui import PlotWindow from PyMca5.PyMcaGui import PyMca_Icons IconDict = PyMca_Icons.IconDict from . import McaCalWidget from . import PeakIdentifier from PyMca5.PyMcaGui import SubprocessLogWidget from . import ElementsInfo Elements = ElementsInfo.Elements #import McaROIWidget from PyMca5.PyMcaGui import PyMcaPrintPreview from PyMca5.PyMcaCore import PyMcaDirs from PyMca5.PyMcaIO import ConfigDict from PyMca5.PyMcaGui import CalculationThread DEBUG = 0 if DEBUG: print("############################################") print("# McaAdvancedFit is in DEBUG mode %s #" % DEBUG) print("############################################") XRFMC_FLAG = False try: from PyMca5.PyMcaPhysics.xrf.XRFMC import XRFMCHelper XRFMC_FLAG = True except ImportError: print("Cannot import XRFMCHelper module") if DEBUG: raise USE_BOLD_FONT = True class McaAdvancedFit(qt.QWidget): """ This class inherits QWidget. It provides all the functionality required to perform an interactive fit and to generate a configuration file. It is the simplest way to embed PyMca's fitting functionality into other PyQt application. It can be used from the interactive prompt of ipython provided ipython is started with the -q4thread flag. **Usage** >>> from PyMca5 import McaAdvancedFit >>> w = McaAdvancedFit.McaAdvancedFit() >>> w.setData(x=x, y=y) # x is your channel array and y the counts array >>> w.show() """ sigMcaAdvancedFitSignal = qt.pyqtSignal(object) def __init__(self, parent=None, name="PyMca - McaAdvancedFit",fl=0, sections=None, top=True, margin=11, spacing=6): qt.QWidget.__init__(self, parent) self.setWindowTitle(name) self.setWindowIcon(qt.QIcon(qt.QPixmap(IconDict['gioconda16']))) self.lastInputDir = None self.configDialog = None self.matplotlibDialog = None self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(margin, margin, margin, margin) self.mainLayout.setSpacing(0) if sections is None: sections=["TABLE"] self.headerLabel = qt.QLabel(self) self.mainLayout.addWidget(self.headerLabel) self.headerLabel.setAlignment(qt.Qt.AlignHCenter) font = self.font() font.setBold(USE_BOLD_FONT) self.headerLabel.setFont(font) self.setHeader('Fit of XXXXXXXXXX from Channel XXXXX to XXXX') self.top = Top(self) self.mainLayout.addWidget(self.top) self.sthread = None self.elementsInfo = None self.identifier = None self.logWidget = None if False and len(sections) == 1: w = self self.mcatable = McaAdvancedTable.McaTable(w) self.concentrationsWidget = None else: self.mainTab = qt.QTabWidget(self) self.mainLayout.addWidget(self.mainTab) #graph self.tabGraph = qt.QWidget() tabGraphLayout = qt.QVBoxLayout(self.tabGraph) tabGraphLayout.setContentsMargins(margin, margin, margin, margin) tabGraphLayout.setSpacing(spacing) #self.graphToolbar = qt.QHBox(self.tabGraph) self.graphWindow = McaGraphWindow(self.tabGraph) tabGraphLayout.addWidget(self.graphWindow) self.graph = self.graphWindow self.graph.setGraphXLabel('Channel') self.graph.setGraphYLabel('Counts') self.mainTab.addTab(self.tabGraph,"GRAPH") self.graphWindow.sigPlotSignal.connect(self._mcaGraphSignalSlot) #table self.tabMca = qt.QWidget() tabMcaLayout = qt.QVBoxLayout(self.tabMca) tabMcaLayout.setContentsMargins(margin, margin, margin, margin) tabMcaLayout.setSpacing(spacing) w = self.tabMca line = Line(w, info="TABLE") tabMcaLayout.addWidget(line) line.setToolTip("DoubleClick toggles floating window mode") self.mcatable = McaAdvancedTable.McaTable(w) tabMcaLayout.addWidget(self.mcatable) self.mainTab.addTab(w,"TABLE") line.sigLineDoubleClickEvent.connect(self._tabReparent) self.mcatable.sigClosed.connect(self._mcatableClose) #concentrations self.tabConcentrations = qt.QWidget() tabConcentrationsLayout = qt.QVBoxLayout(self.tabConcentrations) tabConcentrationsLayout.setContentsMargins(margin, margin, margin, margin) tabConcentrationsLayout.setSpacing(0) line2 = Line(self.tabConcentrations, info="CONCENTRATIONS") self.concentrationsWidget = ConcentrationsWidget.Concentrations(self.tabConcentrations) tabConcentrationsLayout.addWidget(line2) tabConcentrationsLayout.addWidget(self.concentrationsWidget) self.mainTab.addTab(self.tabConcentrations,"CONCENTRATIONS") line2.setToolTip("DoubleClick toggles floating window mode") self.concentrationsWidget.sigConcentrationsSignal.connect( \ self.__configureFromConcentrations) line2.sigLineDoubleClickEvent.connect(self._tabReparent) self.concentrationsWidget.sigClosed.connect( \ self._concentrationsWidgetClose) #diagnostics self.tabDiagnostics = qt.QWidget() tabDiagnosticsLayout = qt.QVBoxLayout(self.tabDiagnostics) tabDiagnosticsLayout.setContentsMargins(margin, margin, margin, margin) tabDiagnosticsLayout.setSpacing(spacing) w = self.tabDiagnostics self.diagnosticsWidget = qt.QTextEdit(w) self.diagnosticsWidget.setReadOnly(1) tabDiagnosticsLayout.addWidget(self.diagnosticsWidget) self.mainTab.addTab(w, "DIAGNOSTICS") self.mainTab.currentChanged[int].connect(self._tabChanged) self._energyAxis = False self.__printmenu = qt.QMenu() self.__printmenu.addAction(QString("Calibrate"), self._calibrate) self.__printmenu.addAction(QString("Identify Peaks"),self.__peakIdentifier) self.__printmenu.addAction(QString("Elements Info"), self.__elementsInfo) self.outdir = None self.configDir = None self.__lastreport= None self.browser = None self.info = {} self.__fitdone = 0 self._concentrationsDict = None self._concentrationsInfo = None self._xrfmcMatrixSpectra = None #self.graph.hide() #self.guiconfig = FitParam.Fitparam() """ self.specfitGUI.guiconfig.MCACheckBox.setEnabled(0) palette = self.specfitGUI.guiconfig.MCACheckBox.palette() palette.setDisabled(palette.active()) """ ############## hbox=qt.QWidget(self) self.bottom = hbox hboxLayout = qt.QHBoxLayout(hbox) hboxLayout.setContentsMargins(0, 0, 0, 0) hboxLayout.setSpacing(4) if not top: self.configureButton = qt.QPushButton(hbox) self.configureButton.setText("Configure") self.toolsButton = qt.QPushButton(hbox) self.toolsButton.setText("Tools") hboxLayout.addWidget(self.configureButton) hboxLayout.addWidget(self.toolsButton) hboxLayout.addWidget(qt.HorizontalSpacer(hbox)) self.fitButton = qt.QPushButton(hbox) hboxLayout.addWidget(self.fitButton) #font = self.fitButton.font() #font.setBold(True) #self.fitButton.setFont(font) self.fitButton.setText("Fit Again!") self.printButton = qt.QPushButton(hbox) hboxLayout.addWidget(self.printButton) self.printButton.setText("Print") self.htmlReportButton = qt.QPushButton(hbox) hboxLayout.addWidget(self.htmlReportButton) self.htmlReportButton.setText("HTML Report") self.matrixSpectrumButton = qt.QPushButton(hbox) hboxLayout.addWidget(self.matrixSpectrumButton) self.matrixSpectrumButton.setText("Matrix Spectrum") self.matrixXRFMCSpectrumButton = qt.QPushButton(hbox) self.matrixXRFMCSpectrumButton.setText("MC Matrix Spectrum") hboxLayout.addWidget(self.matrixXRFMCSpectrumButton) self.matrixXRFMCSpectrumButton.hide() self.peaksSpectrumButton = qt.QPushButton(hbox) hboxLayout.addWidget(self.peaksSpectrumButton) self.peaksSpectrumButton.setText("Peaks Spectrum") self.matrixSpectrumButton.setCheckable(1) self.peaksSpectrumButton.setCheckable(1) hboxLayout.addWidget(qt.HorizontalSpacer(hbox)) self.dismissButton = qt.QPushButton(hbox) hboxLayout.addWidget(self.dismissButton) self.dismissButton.setText("Dismiss") hboxLayout.addWidget(qt.HorizontalSpacer(hbox)) self.mainLayout.addWidget(hbox) self.printButton.setToolTip('Print Active Tab') self.htmlReportButton.setToolTip('Generate Browser Compatible Output\nin Chosen Directory') self.matrixSpectrumButton.setToolTip('Toggle Matrix Spectrum Calculation On/Off') self.matrixXRFMCSpectrumButton.setToolTip('Calculate Matrix Spectrum Using Monte Carlo') self.peaksSpectrumButton.setToolTip('Toggle Individual Peaks Spectrum Calculation On/Off') self.mcafit = ClassMcaTheory.McaTheory() self.fitButton.clicked.connect(self.fit) self.printButton.clicked.connect(self.printActiveTab) self.htmlReportButton.clicked.connect(self.htmlReport) self.matrixSpectrumButton.clicked.connect(self.__toggleMatrixSpectrum) if self.matrixXRFMCSpectrumButton is not None: self.matrixXRFMCSpectrumButton.clicked.connect(self.xrfmcSpectrum) self.peaksSpectrumButton.clicked.connect(self.__togglePeaksSpectrum) self.dismissButton.clicked.connect(self.dismiss) self.top.configureButton.clicked.connect(self.__configure) self.top.printButton.clicked.connect(self.__printps) if top: self.top.sigTopSignal.connect(self.__updatefromtop) else: self.top.hide() self.configureButton.clicked.connect(self.__configure) self.toolsButton.clicked.connect(self.__printps) self._updateTop() def __mainTabPatch(self, index): return self.mainTabLabels[index] def _fitdone(self): if self.__fitdone: return True else: return False def _submitThread(self, function, parameters, message="Please wait", expandparametersdict=None): if expandparametersdict is None: expandparametersdict= False sthread = SimpleThread() sthread._expandParametersDict=expandparametersdict sthread._function = function sthread._kw = parameters #try: sthread.start() #except: # raise "ThreadError",sys.exc_info() msg = qt.QDialog(self, qt.Qt.FramelessWindowHint) msg.setModal(0) msg.setWindowTitle("Please Wait") layout = qt.QHBoxLayout(msg) l1 = qt.QLabel(msg) layout.addWidget(l1) l1.setFixedWidth(l1.fontMetrics().width('##')) l2 = qt.QLabel(msg) layout.addWidget(l2) l2.setText("%s" % message) l3 = qt.QLabel(msg) layout.addWidget(l3) l3.setFixedWidth(l3.fontMetrics().width('##')) msg.show() app = qt.QApplication.instance() app.processEvents() i = 0 ticks = ['-','\\', "|", "/","-","\\",'|','/'] while (sthread.isRunning()): i = (i+1) % 8 l1.setText(ticks[i]) l3.setText(" "+ticks[i]) app.processEvents() time.sleep(1) msg.close() result = sthread._result del sthread self.raise_() return result def refreshWidgets(self): """ This method just forces the graphical widgets to get updated. It should be called if somehow you have modified the fit and/ or concentrations parameters by other means than the graphical interface. """ self.__configure(justupdate=True) def configure(self, ddict=None): """ This methods configures the fitting parameters and updates the graphical interface. It returns the current configuration. """ if ddict is None: return self.mcafit.configure(ddict) #configure and get the new configuration newConfig = self.mcafit.configure(ddict) #refresh the interface self.refreshWidgets() #return the current configuration return newConfig def __configure(self, justupdate=False): config = {} config.update(self.mcafit.config) #config['fit']['use_limit'] = 1 if not justupdate: if self.configDialog is None: if self.__fitdone: dialog = FitParam.FitParamDialog(modal=1, fl=0, initdir=self.configDir, fitresult=self.dict['result']) else: dialog = FitParam.FitParamDialog(modal=1, fl=0, initdir=self.configDir, fitresult=None) dialog.fitparam.peakTable.sigFitPeakSelect.connect( \ self.__elementclicked) self.configDialog = dialog else: dialog = self.configDialog if self.__fitdone: dialog.setFitResult(self.dict['result']) else: dialog.setFitResult(None) if self.__fitdone: # a direct fit without loading the file can lead to errors lastTime = self.mcafit.getLastTime() self.info["time"] = lastTime dialog.setParameters(self.mcafit.getStartingConfiguration()) dialog.setData(self.mcafit.xdata * 1.0, self.mcafit.ydata * 1.0, info=copy.deepcopy(self.info)) #dialog.fitparam.regionCheck.setDisabled(True) #dialog.fitparam.minSpin.setDisabled(True) #dialog.fitparam.maxSpin.setDisabled(True) ret = dialog.exec_() if dialog.initDir is not None: self.configDir = 1 * dialog.initDir else: self.configDir = None if ret != qt.QDialog.Accepted: dialog.close() #del dialog return try: #this may crash in qt 2.3.0 npar = dialog.getParameters() except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Error occured getting parameters:") msg.setInformativeText(str(sys.exc_info()[1])) msg.setDetailedText(traceback.format_exc()) msg.exec_() return config.update(npar) dialog.close() #del dialog self.graph.clearMarkers() self.graph.replot() self.__fitdone = False self._concentrationsDict = None self._concentrationsInfo = None self._xrfmcMatrixSpectra = None if self.concentrationsWidget is not None: self.concentrationsWidget.concentrationsTable.setRowCount(0) if self.mcatable is not None: self.mcatable.setRowCount(0) self.diagnosticsWidget.clear() #make sure newly or redefined materials are added to the #materials in the fit configuration for material in Elements.Material.keys(): self.mcafit.config['materials'][material] =copy.deepcopy(Elements.Material[material]) hideButton = True if 'xrfmc' in config: programFile = config['xrfmc'].get('program', None) if programFile is not None: if os.path.exists(programFile): if os.path.isfile(config['xrfmc']['program']): hideButton = False if hideButton: self.matrixXRFMCSpectrumButton.hide() else: self.matrixXRFMCSpectrumButton.show() if DEBUG: self.mcafit.configure(config) elif 1: try: thread = CalculationThread.CalculationThread( \ calculation_method = self.mcafit.configure, calculation_vars = config, expand_vars=False, expand_kw=False) thread.start() CalculationThread.waitingMessageDialog(thread, message = "Configuring, please wait", parent=self, modal=True, update_callback=None, frameless=True) threadResult = thread.getResult() if type(threadResult) == type((1,)): if len(threadResult): if threadResult[0] == "Exception": raise Exception(threadResult[1], threadResult[2]) except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setWindowTitle("Configuration error") msg.setText("Error configuring fit:") msg.setInformativeText(str(sys.exc_info()[1])) msg.setDetailedText(traceback.format_exc()) msg.exec_() return else: try: threadResult=self._submitThread(self.mcafit.configure, config, "Configuring, please wait") if type(threadResult) == type((1,)): if len(threadResult): if threadResult[0] == "Exception": raise Exception(threadResult[1], threadResult[2]) except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setWindowTitle("Configuration error") msg.setText("Error configuring fit:") msg.setInformativeText(str(sys.exc_info()[1])) msg.setDetailedText(traceback.format_exc()) msg.exec_() return #update graph delcurves = [] curveList = self.graph.getAllCurves(just_legend=True) for key in curveList: if key not in ["Data"]: delcurves.append(key) for key in delcurves: self.graph.removeCurve(key) if not justupdate: self.plot() self._updateTop() if self.concentrationsWidget is not None: try: app = qt.QApplication.instance() app.processEvents() self.concentrationsWidget.setParameters(config['concentrations'], signal=False) except: if str(self.mainTab.tabText(self.mainTab.currentIndex())).upper() == "CONCENTRATIONS": self.mainTab.setCurrentIndex(0) def __configureFromConcentrations(self,ddict): if DEBUG: print("McaAdvancedFit.__configureFromConcentrations", ddict) config = self.concentrationsWidget.getParameters() self.mcafit.config['concentrations'].update(config) if ddict['event'] == 'updated': if 'concentrations' in ddict: self._concentrationsDict = ddict['concentrations'] self._concentrationsInfo = None self._xrfmcMatrixSpectra = None def __elementclicked(self,ddict): ddict['event'] = 'McaAdvancedFitElementClicked' self.__showElementMarker(ddict) self.__anasignal(ddict) def __showElementMarker(self, dict): self.graph.clearMarkers() ele = dict['current'] items = [] if not (ele in dict): self.graph.replot() return for rays in dict[ele]: for transition in Elements.Element[ele][rays +" xrays"]: items.append([transition, Elements.Element[ele][transition]['energy'], Elements.Element[ele][transition]['rate']]) config = self.mcafit.configure() xdata = self.mcafit.xdata * 1.0 xmin = xdata[0] xmax = xdata[-1] ymin,ymax = self.graph.getGraphYLimits() calib = [config['detector'] ['zero'], config['detector'] ['gain']] for transition,energy,rate in items: marker = "" x = (energy - calib[0])/calib[1] if (x < xmin) or (x > xmax):continue if not self._energyAxis: if abs(calib[1]) > 0.0000001: marker=self.graph.insertXMarker(x, legend=transition, text=transition, color='orange', replot=False) else: marker=self.graph.insertXMarker(energy, legend=transition, text=transition, color='orange', replot=False) self.graph.replot() def _updateTop(self): config = {} if 0: config.update(self.mcafit.config['fit']) else: config['stripflag'] = self.mcafit.config['fit'].get('stripflag',0) config['fitfunction'] = self.mcafit.config['fit'].get('fitfunction',0) config['hypermetflag'] = self.mcafit.config['fit'].get('hypermetflag',1) config['sumflag'] = self.mcafit.config['fit'].get('sumflag',0) config['escapeflag'] = self.mcafit.config['fit'].get('escapeflag',0) config['continuum'] = self.mcafit.config['fit'].get('continuum',0) self.top.setParameters(config) def __updatefromtop(self,ndict): config = self.mcafit.configure() for key in ndict.keys(): if DEBUG: keylist = ['stripflag','hypermetflag','sumflag','escapeflag', 'fitfunction', 'continuum'] if key not in keylist: print("UNKNOWN key ",key) config['fit'][key] = ndict[key] self.__fitdone = False #erase table if self.mcatable is not None: self.mcatable.setRowCount(0) #erase concentrations if self.concentrationsWidget is not None: self.concentrationsWidget.concentrationsTable.setRowCount(0) #erase diagnostics self.diagnosticsWidget.clear() #update graph curveList = self.graph.getAllCurves(just_legend=True) delcurves = [] for key in curveList: if key not in ["Data"]: delcurves.append(key) for key in delcurves: self.graph.removeCurve(key) self.plot() if DEBUG: self.mcafit.configure(config) elif 1: try: thread = CalculationThread.CalculationThread( \ calculation_method = self.mcafit.configure, calculation_vars = config, expand_vars=False, expand_kw=False) thread.start() CalculationThread.waitingMessageDialog(thread, message = "Configuring, please wait", parent=self, modal=True, update_callback=None) threadResult = thread.getResult() if type(threadResult) == type((1,)): if len(threadResult): if threadResult[0] == "Exception": raise Exception(threadResult[1], threadResult[2]) except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setWindowTitle("Configuration error") msg.setText("Error configuring fit:") msg.setInformativeText(str(sys.exc_info()[1])) msg.setDetailedText(traceback.format_exc()) msg.exec_() return else: try: threadResult=self._submitThread(self.mcafit.configure, config, "Configuring, please wait") if type(threadResult) == type((1,)): if len(threadResult): if threadResult[0] == "Exception": raise Exception(threadResult[1], threadResult[2]) except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Error: %s" % (sys.exc_info()[1])) msg.exec_() return def _tabChanged(self, value): if DEBUG: print("_tabChanged(self, value) called") if str(self.mainTab.tabText(self.mainTab.currentIndex())).upper() == "CONCENTRATIONS": self.printButton.setEnabled(False) w = self.concentrationsWidget if w.parent() is None: if w.isHidden(): w.show() w.raise_() self.printButton.setEnabled(True) #do not calculate again. It should be already updated return if DEBUG: self.concentrations() self.printButton.setEnabled(True) else: try: self.concentrations() self.printButton.setEnabled(True) except: #print "try to set" self.printButton.setEnabled(False) msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Concentrations error: %s" % sys.exc_info()[1]) msg.exec_() self.mainTab.setCurrentIndex(0) elif str(self.mainTab.tabText(self.mainTab.currentIndex())).upper() == "TABLE": self.printButton.setEnabled(True) w = self.mcatable if w.parent() is None: if w.isHidden(): w.show() w.raise_() elif str(self.mainTab.tabText(self.mainTab.currentIndex())).upper() == "DIAGNOSTICS": self.printButton.setEnabled(False) self.diagnostics() else: self.printButton.setEnabled(True) def _concentrationsWidgetClose(self, ddict): ddict['info'] = "CONCENTRATIONS" self._tabReparent(ddict) def _mcatableClose(self, ddict): ddict['info'] = "TABLE" self._tabReparent(ddict) def _tabReparent(self, ddict): if ddict['info'] == "CONCENTRATIONS": w = self.concentrationsWidget parent = self.tabConcentrations elif ddict['info'] == "TABLE": w = self.mcatable parent = self.tabMca if w.parent() is not None: parent.layout().removeWidget(w) w.setParent(None) w.show() else: w.setParent(parent) parent.layout().addWidget(w) def _calibrate(self): config = self.mcafit.configure() x = self.mcafit.xdata0[:] y = self.mcafit.ydata0[:] legend = "Calibration for " + qt.safe_str(self.headerLabel.text()) ndict={} ndict[legend] = {'A':config['detector']['zero'], 'B':config['detector']['gain'], 'C': 0.0} caldialog = McaCalWidget.McaCalWidget(legend=legend, x=x, y=y, modal=1, caldict=ndict, fl=0) caldialog.calpar.orderbox.setEnabled(0) caldialog.calpar.CText.setEnabled(0) caldialog.calpar.savebox.setEnabled(0) ret = caldialog.exec_() if ret == qt.QDialog.Accepted: ddict = caldialog.getDict() config['detector']['zero'] = ddict[legend]['A'] config['detector']['gain'] = ddict[legend]['B'] #self.mcafit.configure(config) self.mcafit.config['detector']['zero'] = 1. * ddict[legend]['A'] self.mcafit.config['detector']['gain'] = 1. * ddict[legend]['B'] self.__fitdone = 0 self.plot() del caldialog def __elementsInfo(self): if self.elementsInfo is None: self.elementsInfo = ElementsInfo.ElementsInfo(None, "Elements Info") if self.elementsInfo.isHidden(): self.elementsInfo.show() self.elementsInfo.raise_() def __peakIdentifier(self, energy = None): if energy is None:energy = 5.9 if self.identifier is None: self.identifier=PeakIdentifier.PeakIdentifier(energy=energy, threshold=0.040, useviewer=1) self.identifier.mySlot() self.identifier.setEnergy(energy) if self.identifier.isHidden(): self.identifier.show() self.identifier.raise_() def printActiveTab(self): txt = str(self.mainTab.tabText(self.mainTab.currentIndex())).upper() if txt == "GRAPH": self.graph.printps() elif txt == "TABLE": self.printps(True) elif txt == "CONCENTRATIONS": self.printConcentrations(True) elif txt == "DIAGNOSTICS": pass else: pass def diagnostics(self): self.diagnosticsWidget.clear() if not self.__fitdone: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) text = "Sorry. You need to perform a fit first.\n" msg.setText(text) msg.exec_() if str(self.mainTab.tabText(self.mainTab.currentIndex())).upper() == "DIAGNOSTICS": self.mainTab.setCurrentIndex(0) return fitresult = self.dict x = fitresult['result']['xdata'] energy = fitresult['result']['energy'] y = fitresult['result']['ydata'] yfit = fitresult['result']['yfit'] param = fitresult['result']['fittedpar'] i = fitresult['result']['parameters'].index('Noise') noise= param[i] * param[i] i = fitresult['result']['parameters'].index('Fano') fano = param[i] * 2.3548*2.3548*0.00385 meanfwhm = numpy.sqrt(noise + 0.5 * (energy[0] + energy[-1]) * fano) i = fitresult['result']['parameters'].index('Gain') gain = fitresult['result']['fittedpar'][i] meanfwhm = int(meanfwhm/gain) + 1 missed = self.mcafit.detectMissingPeaks(y, yfit, meanfwhm) hcolor = 'white' finalcolor = 'white' text="" if len(missed): text+="<br><b><font color=blue size=4>Possibly Missing or Underestimated Peaks</font></b>" text+="<nobr><table><tr>" text+='<td align="right" bgcolor="%s"><b>' % hcolor text+='Channel' text+="</b></td>" text+='<td align="right" bgcolor="%s"><b>' % hcolor text+='Energy' text+="</b></td>" text+="</tr>" for peak in missed: text+="<tr>" text+='<td align="right" bgcolor="%s">' % finalcolor text+="<b><font size=3>%d </font></b>" % x[int(peak)] text+="</td>" text+='<td align="right" bgcolor="%s">' % finalcolor text+="<b><font size=3>%.3f </font></b>" % energy[int(peak)] text+="</td>" text+="</tr>" text+="<tr>" text+="</table>" missed = self.mcafit.detectMissingPeaks(yfit, y, meanfwhm) if len(missed): text+="<br><b><font color=blue size=4>Possibly Overestimated Peaks</font></b>" text+="<nobr><table><tr>" text+='<td align="right" bgcolor="%s"><b>' % hcolor text+='Channel' text+="</b></td>" text+='<td align="right" bgcolor="%s"><b>' % hcolor text+='Energy' text+="</b></td>" text+="</tr>" for peak in missed: text+="<tr>" text+='<td align="right" bgcolor="%s">' % finalcolor text+="<b><font size=3>%d </font></b>" % x[int(peak)] text+="</td>" text+='<td align="right" bgcolor="%s">' % finalcolor text+="<b><font size=3>%.3f </font></b>" % energy[int(peak)] text+="</td>" text+="</tr>" text+="<tr>" text+="</table>" # check for secondary effects useMatrix = False for attenuator in fitresult['result']['config']['attenuators']: if attenuator.upper() == "MATRIX": if fitresult['result']['config']['attenuators'][attenuator][0]: useMatrix = True break if useMatrix and FISX and \ (not fitresult['result']['config']['concentrations']['usemultilayersecondary']): doIt = False corrections = None if 'fisx' in fitresult['result']['config']: corrections = fitresult['result']['config']['fisx'].get('corrections', None) if corrections is None: # calculate the corrections corrections = FisxHelper.getFisxCorrectionFactorsFromFitConfiguration( \ fitresult['result']['config'], elementsFromMatrix=False) # to put it into config is misleading because it was not made at # configuration time. if 'fisx' not in fitresult['result']['config']: fitresult['result']['config']['fisx'] = {} fitresult['result']['config']['fisx']['secondary'] = 2 fitresult['result']['config']['fisx']['corrections'] = corrections tertiary = False bodyText = "" for element in corrections: for family in corrections[element]: correction = corrections[element][family]['correction_factor'] if correction[-1] > 1.02: doIt = True bodyText += "<tr>" bodyText += '<td align="right" bgcolor="%s">' % finalcolor bodyText += "<b><font size=3>%s  </font></b>" % \ (element + " " + family) bodyText += "</td>" bodyText += '<td align="right" bgcolor="%s">' % finalcolor bodyText += "<b><font size=3>" bodyText += "%.3f</font></b>" % correction[1] bodyText += "   " if len(corrections[element][family]['correction_factor']) > 2: tertiary = True bodyText+= "</td>" bodyText += '<td align="right" bgcolor="%s">' % finalcolor bodyText += "<b><font size=3>" bodyText+= "%.3f </font></b>" % correction[2] bodyText += "   " bodyText+= "</td>" bodyText+= "</tr>" if doIt: bodyText += "<tr>" bodyText += "</table>" warningText = "<br><b><font color=blue size=4>" warningText += "Neglected higher order excitation correction</font></b>" warningText += "<nobr><table>" warningText += "<tr>" warningText += '<td align="right" bgcolor="%s"><b>' % hcolor warningText += 'Peak Family' warningText += "</b></td>" warningText += '<td align="right" bgcolor="%s"><b>' % hcolor warningText += (' ' * 10) warningText += '2nd Order' warningText += "</b></td>" if tertiary: warningText += '<td align="right" bgcolor="%s"><b>' % hcolor warningText += (' ' * 10) warningText += '3rd Order' warningText += "</b></td>" warningText += "</tr>" text += (warningText + bodyText) self.diagnosticsWidget.insertHtml(text) def concentrations(self): self._concentrationsDict = None self._concentrationsInfo = None self._xrfmcMatrixSpectra = None if not self.__fitdone: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) text = "Sorry, You need to perform a fit first.\n" msg.setText(text) msg.exec_() if str(self.mainTab.tabText(self.mainTab.currentIndex())).upper() == "CONCENTRATIONS": self.mainTab.setCurrentIndex(0) return fitresult = self.dict if False: #from the fit, it misses any update from concentrations config = fitresult['result']['config'] else: #from current, it should be up to date config = self.mcafit.configure() #tool = ConcentrationsWidget.Concentrations(fl=qt.Qt.WDestructiveClose) if self.concentrationsWidget is None: self.concentrationsWidget = ConcentrationsWidget.Concentrations() self.concentrationsWidget.sigConcentrationsSignal.connect( \ self.__configureFromConcentrations) self.concentrationsWidget.setTimeFactor(self.mcafit.getLastTime(), signal=False) tool = self.concentrationsWidget #this forces update tool.getParameters() ddict = {} ddict.update(config['concentrations']) tool.setParameters(ddict, signal=False) if DEBUG: ddict, info = tool.processFitResult(config=ddict,fitresult=fitresult, elementsfrommatrix=False, fluorates = self.mcafit._fluoRates, addinfo=True) else: try: ddict, info = tool.processFitResult(config=ddict,fitresult=fitresult, elementsfrommatrix=False, fluorates = self.mcafit._fluoRates, addinfo=True) except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Error processing fit result: %s" % (sys.exc_info()[1])) msg.exec_() if str(self.mainTab.tabText(self.mainTab.currentIndex())).upper() == 'CONCENTRATIONS': self.mainTab.setCurrentIndex(0) return self._concentrationsDict = ddict self._concentrationsInfo = info tool.show() tool.setFocus() tool.raise_() def __toggleMatrixSpectrum(self): if self.matrixSpectrumButton.isChecked(): self.matrixSpectrum() self.plot() else: if "Matrix" in self.graph.getAllCurves(just_legend=True): self.graph.removeCurve("Matrix") self.plot() def __togglePeaksSpectrum(self): if self.peaksSpectrumButton.isChecked(): self.peaksSpectrum() else: self.__clearPeaksSpectrum() self.plot() def __clearPeaksSpectrum(self): delcurves = [] for key in self.graph.getAllCurves(just_legend=True): if key not in ["Data", "Fit", "Continuum", "Pile-up", "Matrix"]: if key.startswith('MC Matrix'): if self._xrfmcMatrixSpectra in [None, []]: delcurves.append(key) else: delcurves.append(key) for key in delcurves: self.graph.removeCurve(key, replot=False) def matrixSpectrum(self): if not self.__fitdone: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) text = "Sorry, for the time being you need to perform a fit first\n" text+= "in order to calculate the spectrum derived from the matrix.\n" text+= "Background and detector parameters are taken from last fit" msg.setText(text) msg.exec_() return #fitresult = self.dict['result'] fitresult = self.dict config = self.mcafit.configure() self._concentrationsInfo = None tool = ConcentrationsTool.ConcentrationsTool() #this forces update tool.configure() ddict = {} ddict.update(config['concentrations']) tool.configure(ddict) if DEBUG: ddict, info = tool.processFitResult(fitresult=fitresult, elementsfrommatrix=True, addinfo=True) elif 1: try: thread = CalculationThread.CalculationThread( \ calculation_method = tool.processFitResult, calculation_kw = {'fitresult':fitresult, 'elementsfrommatrix':True, 'addinfo':True}, expand_vars=True, expand_kw=True) thread.start() CalculationThread.waitingMessageDialog(thread, message = "Calculating Matrix Spectrum", parent=self, modal=True, update_callback=None) threadResult = thread.getResult() if type(threadResult) == type((1,)): if len(threadResult): if threadResult[0] == "Exception": raise Exception(threadResult[1], threadResult[2]) ddict, info = threadResult except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Error: %s" % (sys.exc_info()[1])) msg.exec_() return else: try: threadResult = self._submitThread(tool.processFitResult, {'fitresult':fitresult, 'elementsfrommatrix':True, 'addinfo':True}, "Calculating Matrix Spectrum", True) if type(threadResult) == type((1,)): if len(threadResult): if threadResult[0] == "Exception": raise Exception(threadResult[1], threadResult[2]) ddict, info = threadResult except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Error: %s" % (sys.exc_info()[1])) msg.exec_() return self._concentrationsInfo = info groupsList = fitresult['result']['groups'] if type(groupsList) != type([]): groupsList = [groupsList] corrections = None if fitresult['result']['config']['concentrations']['usemultilayersecondary']: if 'fisx' in fitresult: corrections = fitresult['fisx'].get('corrections', None) if corrections is None: # try to see if they were in the configuration # in principle this would be the most appropriate place to be # unless matrix/configuration has been somehow updated. if 'fisx' in fitresult['result']['config']: corrections = fitresult['result']['config']['fisx'].get('corrections', None) if corrections is None: # calculate the corrections # in principle I should never get here corrections = FisxHelper.getFisxCorrectionFactorsFromFitConfiguration( \ fitresult['result']['config']) areas = [] for group in groupsList: item = group.split() element = item[0] if len(element) >2: areas.append(0.0) else: area = ddict['area'][group] if corrections is not None: if element in corrections: area *= corrections[element][item[1]]['counts'][-1] / \ corrections[element][item[1]]['counts'][0] areas.append(area) nglobal = len(fitresult['result']['parameters']) - len(groupsList) parameters = [] for i in range(len(fitresult['result']['parameters'])): if i < nglobal: parameters.append(fitresult['result']['fittedpar'][i]) else: parameters.append(areas[i-nglobal]) xmatrix = fitresult['result']['xdata'] ymatrix = self.mcafit.mcatheory(parameters,xmatrix) ymatrix.shape = [len(ymatrix),1] ddict=copy.deepcopy(self.dict) ddict['event'] = "McaAdvancedFitMatrixFinished" if self.mcafit.STRIP: ddict['result']['ymatrix'] = ymatrix + self.mcafit.zz else: ddict['result']['ymatrix'] = ymatrix ddict['result']['ymatrix'].shape = (len(ddict['result']['ymatrix']),) ddict['result']['continuum'].shape = (len(ddict['result']['ymatrix']),) if self.matrixSpectrumButton.isChecked(): self.dict['result']['ymatrix']= ddict['result']['ymatrix'] * 1.0 """ if self.graph is not None: if self._logY: logfilter = 1 else: logfilter = 0 if self._energyAxis: xdata = dict['result']['energy'][:] else: xdata = dict['result']['xdata'][:] self.graph.newCurve("Matrix",xdata,dict['result']['ymatrix'],logfilter=logfilter) """ try: self.__anasignal(ddict) except: print("Error generating matrix output. ") print("Try to perform your fit again. ") print(sys.exc_info()) print("If error persists, please report this error.") print("ymatrix shape = ", ddict['result']['ymatrix'].shape) print("xmatrix shape = ", xmatrix.shape) print("continuum shape = ", ddict['result']['continuum'].shape) print("zz shape = ", self.mcafit.zz.shape) def fisxSpectrum(self): if not self.__fitdone: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) text = "Sorry, current implementation requires you to perform a fit first\n" msg.setText(text) msg.exec_() return self._xrfmcMatrixSpectra = None fitresult = self.dict self._fisxMatrixSpectra = None if self._concentrationsInfo is None: # concentrations have to be calculated too self.concentrations() # force fisx to work on fundamental parameters mode fitConfiguration = copy.deepcopy(self.dict['result']["config"]) fitConfiguration['concentrations']['usematrix'] = 0 fitConfiguration['concentrations']['flux'] = self._concentrationsInfo['Flux'] fitConfiguration['concentrations']['time'] = self._concentrationsInfo['Time'] # calculate expected fluorescence signal from elements present in the sample correctionFactors = FisxHelper.getFisxCorrectionFactorsFromFitConfiguration( \ fitConfiguration, elementsFromMatrix=True) groupsList = fitresult['result']['groups'] if type(groupsList) != type([]): groupsList = [groupsList] areas0 = [] areas1 = [] for group in groupsList: item = group.split() element = item[0] if element not in correctionFactors: areas0.append(0.0) areas1.append(0.0) else: if len(element) >2: areas0.append(0.0) areas1.append(0.0) else: # transitions = item[1] + " xrays" areas0.append(correctionFactors[element][item[1]]['counts'][0] * \ self._concentrationsInfo['Flux'] * self._concentrationsInfo['Time'] * \ self._concentrationsInfo['SolidAngle']) areas1.append(correctionFactors[element][item[1]]['counts'][1] * \ self._concentrationsInfo['Flux'] * self._concentrationsInfo['Time'] * \ self._concentrationsInfo['SolidAngle']) # primary nglobal = len(fitresult['result']['parameters']) - len(groupsList) parameters = [] for i in range(len(fitresult['result']['parameters'])): if i < nglobal: parameters.append(fitresult['result']['fittedpar'][i]) else: parameters.append(areas0[i-nglobal]) xmatrix = fitresult['result']['xdata'] ymatrix0 = self.mcafit.mcatheory(parameters, xmatrix) ymatrix0.shape = [len(ymatrix0),1] #secondary nglobal = len(fitresult['result']['parameters']) - len(groupsList) parameters = [] for i in range(len(fitresult['result']['parameters'])): if i < nglobal: parameters.append(fitresult['result']['fittedpar'][i]) else: parameters.append(areas1[i-nglobal]) ymatrix1 = self.mcafit.mcatheory(parameters, xmatrix) ymatrix1.shape = [len(ymatrix1),1] zeroindex = fitresult['result']['parameters'].index('Zero') gainindex = fitresult['result']['parameters'].index('Gain') zero = fitresult['result']['fittedpar'][zeroindex] gain = fitresult['result']['fittedpar'][gainindex] if self.mcafit.STRIP: ymatrix0 += self.mcafit.zz ymatrix1 += self.mcafit.zz # channels, energy, single, multiple self._xrfmcMatrixSpectra = [xmatrix, xmatrix * gain + zero, ymatrix0, ymatrix1] #self.logWidget.hide() self.plot() ddict=copy.deepcopy(self.dict) ddict['event'] = "McaAdvancedFitXRFMCMatrixFinished" def xrfmcSpectrum(self): #print "SKIPPING" #return self.fisxSpectrum() if not self.__fitdone: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) text = "Sorry, current implementation requires you to perform a fit first\n" msg.setText(text) msg.exec_() return fitresult = self.dict self._xrfmcMatrixSpectra = None if self._concentrationsInfo is None: # concentrations have to be calculated too self.concentrations() # force the Monte Carlo to work on fundamental parameters mode ddict = copy.deepcopy(self.dict) ddict['result']['config']['concentrations']['usematrix'] = 0 ddict['result']['config']['concentrations']['flux'] = self._concentrationsInfo['Flux'] ddict['result']['config']['concentrations']['time'] = self._concentrationsInfo['Time'] if hasattr(self, "__tmpMatrixSpectrumDir"): if self.__tmpMatrixSpectrumDir is not None: self.removeDirectory(self.__tmpMatrixSpectrumDir) self.__tmpMatrixSpectrumDir = tempfile.mkdtemp(prefix="pymcaTmp") nfile = ConfigDict.ConfigDict() nfile.update(ddict) #the Monte Carlo expects this at top level nfile['xrfmc'] = ddict['result']['config']['xrfmc'] newFile = os.path.join(self.__tmpMatrixSpectrumDir, "pymcaTmpFitFile.fit") if os.path.exists(newFile): # this should never happen os.remove(newFile) nfile.write(newFile) nfile = None fileNamesDict = XRFMCHelper.getOutputFileNames(newFile, outputDir=self.__tmpMatrixSpectrumDir) if newFile != fileNamesDict['fit']: removeDirectory(self.__tmpMatrixSpectrumDir) raise ValueError("Inconsistent internal behaviour!") self._xrfmcFileNamesDict = fileNamesDict xrfmcProgram = ddict['result']['config']['xrfmc']['program'] scriptName = fileNamesDict['script'] scriptFile = XRFMCHelper.getScriptFile(xrfmcProgram, name=scriptName) csvName = fileNamesDict['csv'] speName = fileNamesDict['spe'] xmsoName = fileNamesDict['xmso'] # basic parameters args = [scriptFile, "--verbose", "--spe-file=%s" % speName, "--csv-file=%s" % csvName, #"--enable-roi-normalization", #"--disable-roi-normalization", #default #"--enable-pile-up" #"--disable-pile-up" #default #"--enable-poisson", #"--disable-poisson", #default no noise #"--set-threads=2", #overwrite default maximum newFile, xmsoName] # additionalParameters simulationParameters = ["--enable-single-run"] #simulationParameters = ["--enable-single-run", # "--set-threads=2"] i = 0 for parameter in simulationParameters: i += 1 args.insert(1, parameter) # show the command on the log widget text = "%s" % scriptFile for arg in args[1:]: text += " %s" % arg if self.logWidget is None: self.logWidget = SubprocessLogWidget.SubprocessLogWidget() self.logWidget.setMinimumWidth(400) self.logWidget.sigSubprocessLogWidgetSignal.connect(\ self._xrfmcSubprocessSlot) self.logWidget.clear() self.logWidget.show() self.logWidget.raise_() self.logWidget.append(text) self.logWidget.start(args=args) def removeDirectory(self, dirName): if os.path.exists(dirName): if os.path.isdir(dirName): shutil.rmtree(dirName) def _xrfmcSubprocessSlot(self, ddict): if ddict['event'] == "ProcessFinished": returnCode = ddict['code'] msg = qt.QMessageBox(self) msg.setWindowTitle("Simulation finished") if returnCode != 0: msg = qt.QMessageBox(self) msg.setWindowTitle("Simulation Error") msg.setIcon(qt.QMessageBox.Critical) text = "Simulation finished with error code %d\n" % (returnCode) for line in ddict['message']: text += line msg.setText(text) msg.exec_() return xmsoFile = self._xrfmcFileNamesDict['xmso'] corrections = XRFMCHelper.getXMSOFileFluorescenceInformation(xmsoFile) self.dict['result']['config']['xrfmc']['corrections'] = corrections elementsList = list(corrections.keys()) elementsList.sort() for element in elementsList: for key in ['K', 'Ka', 'Kb', 'L', 'L1', 'L2', 'L3', 'M']: if corrections[element][key]['total'] > 0.0: value = corrections[element][key]['correction_factor'][-1] if value != 1.0: text = "%s %s xrays multiple excitation factor = %.4f" % \ (element, key, value) self.logWidget.append(text) from PyMca5.PyMcaIO import specfilewrapper as specfile sf = specfile.Specfile(self._xrfmcFileNamesDict['csv']) nScans = len(sf) scan = sf[nScans - 1] nMca = scan.nbmca() # specfile starts numbering at one # and the first mca corresponds to the energy self._xrfmcMatrixSpectra = [] for i in range(1, nMca + 1): self._xrfmcMatrixSpectra.append(scan.mca(i)) scan = None sf = None self.removeDirectory(self.__tmpMatrixSpectrumDir) #self.logWidget.hide() self.plot() ddict=copy.deepcopy(self.dict) ddict['event'] = "McaAdvancedFitXRFMCMatrixFinished" if 0: # this for later try: self.__anasignal(ddict) except: print("Error generating Monte Carlo matrix output. ") print(sys.exc_info()) def peaksSpectrum(self): if not self.__fitdone: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) text = "You need to perform a fit first\n" msg.setText(text) msg.exec_() return #fitresult = self.dict['result'] fitresult = self.dict # force update self.mcafit.configure() groupsList = fitresult['result']['groups'] if type(groupsList) != type([]): groupsList = [groupsList] nglobal = len(fitresult['result']['parameters']) - len(groupsList) ddict=copy.deepcopy(self.dict) ddict['event'] = "McaAdvancedFitPeaksFinished" newparameters = fitresult['result']['fittedpar'] * 1 for i in range(nglobal,len(fitresult['result']['parameters'])): newparameters[i] = 0.0 for i in range(nglobal,len(fitresult['result']['parameters'])): group = fitresult['result']['parameters'][i] parameters = newparameters * 1 parameters[i] = fitresult['result']['fittedpar'][i] xmatrix = fitresult['result']['xdata'] ymatrix = self.mcafit.mcatheory(parameters,xmatrix) ymatrix.shape = [len(ymatrix),1] label = 'y'+group if self.mcafit.STRIP: ddict['result'][label] = ymatrix + self.mcafit.zz else: ddict['result'][label] = ymatrix ddict['result'][label].shape = (len(ddict['result'][label]),) if self.peaksSpectrumButton.isChecked(): self.dict['result'][label]= ddict['result'][label] * 1.0 try: self.__anasignal(ddict) except: print("Error generating peaks output. ") print("Try to perform your fit again. ") print(sys.exc_info()) print("If error persists, please report this error.") print("ymatrix shape = ", ddict['result']['ymatrix'].shape) print("xmatrix shape = ", xmatrix.shape) print("continuum shape = ", ddict['result']['continuum'].shape) print("zz shape = ", self.mcafit.zz.shape) def __printps(self): self.__printmenu.exec_(self.cursor().pos()) def htmlReport(self,index=None): if not self.__fitdone: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("You should perform a fit \nfirst,\n shouldn't you?") msg.exec_() return oldoutdir = self.outdir if self.outdir is None: cwd = PyMcaDirs.outputDir outfile = qt.QFileDialog(self) outfile.setWindowTitle("Output Directory Selection") outfile.setModal(1) outfile.setFileMode(outfile.DirectoryOnly) outfile.setDirectory(cwd) ret = outfile.exec_() if ret: self.outdir = qt.safe_str(outfile.selectedFiles()[0]) outfile.close() del outfile else: # pyflakes http://bugs.debian.org/cgi-bin/bugreport.cgi?bug=666494 outfile.close() del outfile return if self.outdir[-1]=="/":self.outdir=self.outdir[0:-1] try: self.__htmlReport() except IOError: self.outdir = None if oldoutdir is not None: if os.path.exists(oldoutdir): self.outdir = oldoutdir msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Input Output Error: %s" % (sys.exc_info()[1])) msg.exec_() def __htmlReport(self,outfile=None): report = QtMcaAdvancedFitReport.QtMcaAdvancedFitReport(fitfile=None, outfile=outfile, outdir=self.outdir, sourcename=self.info['sourcename'], selection=self.info['legend'], fitresult=self.dict, concentrations=self._concentrationsDict, plotdict={'logy':self.graph.isYAxisLogarithmic()}) if 0: #this forces to open and read the file self.__lastreport = report.writeReport() else: text = report.getText() self.__lastreport = report.writeReport(text=text) if self.browser is None: self.browser= qt.QWidget() self.browser.setWindowTitle(QString(self.__lastreport)) self.browser.layout = qt.QVBoxLayout(self.browser) self.browser.layout.setContentsMargins(0, 0, 0, 0) self.browser.layout.setSpacing(0) self.__printmenu.addSeparator() self.__printmenu.addAction(QString("Last Report"),self.showLastReport) self.browsertext = qt.QTextBrowser(self.browser) self.browsertext.setReadOnly(1) screenWidth = qt.QDesktopWidget().width() if screenWidth > 0: self.browsertext.setMinimumWidth(min(self.width(), int(0.5 * screenWidth))) else: self.browsertext.setMinimumWidth(self.width()) screenHeight = qt.QDesktopWidget().height() if screenHeight > 0: self.browsertext.setMinimumHeight(min(self.height(), int(0.5 * screenHeight))) else: self.browsertext.setMinimumHeight(self.height()) self.browser.layout.addWidget(self.browsertext) else: self.browser.setWindowTitle(QString(self.__lastreport)) dirname = os.path.dirname(self.__lastreport) # basename = os.path.basename(self.__lastreport) #self.browsertext.setMimeSourceFactory(qt.QMimeFactory.defaultFactory()) #self.browsertext.mimeSourceFactory().addFilePath(QString(dirname)) self.browsertext.setSearchPaths([QString(dirname)]) #self.browsertext.setSource(qt.QUrl(QString(basename))) self.browsertext.clear() if QTVERSION < '4.2.0': self.browsertext.insertHtml(text) else: self.browsertext.setText(text) self.browsertext.show() self.showLastReport() def showLastReport(self): if self.browser is not None: self.browser.show() if QTVERSION < '4.0.0': self.browser.raiseW() else: self.browser.raise_() def printConcentrations(self, doit=0): text = "<CENTER>"+self.concentrationsWidget.concentrationsTable.getHtmlText()+"</CENTER>" if (__name__ == "__main__") or (doit): self.__print(text) else: ddict={} ddict['event'] = "McaAdvancedFitPrint" ddict['text' ] = text self.sigMcaAdvancedFitSignal.emit(ddict) def printps(self, doit=0): h = self.__htmlheader() text = "<CENTER>"+self.mcatable.gettext()+"</CENTER>" #text = self.mcatable.gettext() if (__name__ == "__main__") or (doit): self.__print(h+text) #print h+text else: ddict={} ddict['event'] = "McaAdvancedFitPrint" ddict['text' ] = h+text self.sigMcaAdvancedFitSignal.emit(ddict) def __htmlheader(self): header = "%s" % qt.safe_str(self.headerLabel.text()) if header[0] == "<": header = header[3:-3] if self.mcafit.config['fit']['sumflag']: sumflag = "Y" else: sumflag = "N" if self.mcafit.config['fit']['escapeflag']: escapeflag = "Y" else: escapeflag = "N" if self.mcafit.config['fit']['stripflag']: stripflag = "Y" else: stripflag = "N" #bkg = self.mcafit.config['fit']['continuum'] #theory = "Hypermet" bkg = "%s" % qt.safe_str(self.top.BkgComBox.currentText()) theory = "%s" % qt.safe_str(self.top.FunComBox.currentText()) hypermetflag=self.mcafit.config['fit']['hypermetflag'] # g_term = hypermetflag & 1 st_term = (hypermetflag >>1) & 1 lt_term = (hypermetflag >>2) & 1 step_term = (hypermetflag >>3) & 1 if st_term: st_term = "Y" else: st_term = "N" if st_term: lt_term = "Y" else: lt_term = "N" if step_term: step_term = "Y" else: step_term = "N" h="" h+=" <CENTER>" h+="<B>%s</B>" % header h+=" </CENTER>" h+=" <SPACER TYPE=BLOCK HEIGHT=10>" #h+="<BR></BR>" h+=" <CENTER>" h+="<TABLE>" h+="<TR>" h+=" <TD ALIGN=LEFT><B>Function</B></TD>" h+=" <TD><B>:</B></TD>" h+=" <TD NOWRAP ALIGN=LEFT>%s</TD>" % theory h+=" <TD><SPACER TYPE=BLOCK WIDTH=15></TD>" h+=" <TD ALIGN=LEFT><B>ShortTail</B></TD>" h+=" <TD><B>:</B></TD>" h+=" <TD>%s</TD>" % st_term h+=" <TD><SPACER TYPE=BLOCK WIDTH=5></B></TD>" h+=" <TD ALIGN=LEFT><B>LongTail</B></TD>" h+=" <TD><B>:</B></TD>" h+=" <TD>%s</TD>" % lt_term h+=" <TD><SPACER TYPE=BLOCK WIDTH=5></B></TD>" h+=" <TD ALIGN=LEFT><B>StepTail</B></TD>" h+=" <TD><B>:</B></TD>" h+=" <TD>%s</TD>" % step_term h+="</TR>" h+="<TR>" #h+=" <TD ALIGN=LEFT><B>Background</B></TH>" h+=" <TD ALIGN=LEFT><B>Backg.</B></TH>" h+=" <TD><B>:</B></TD>" h+=" <TD NOWRAP ALIGN=LEFT>%s</TD>" % bkg h+=" <TD><SPACER TYPE=BLOCK WIDTH=15></B></TD>" h+=" <TD ALIGN=LEFT><B>Escape</B></TD>" h+=" <TD><B>:</B></TD>" h+=" <TD>%s</TD>" % escapeflag h+=" <TD><SPACER TYPE=BLOCK WIDTH=5></B></TD>" h+=" <TD ALIGN=LEFT><B>Pile-up</B></TD>" h+=" <TD><B>:</B></TD>" h+=" <TD ALIGN=LEFT>%s</TD>" % sumflag h+=" <TD><SPACER TYPE=BLOCK WIDTH=5></B></TD>" h+=" <TD ALIGN=LEFT><B>Strip</B></TD>" h+=" <TD><B>:</B></TD>" h+=" <TD>%s</TD>" % stripflag h+="</TR>" h+="</TABLE>" h+="</CENTER>" return h # pyflakes http://bugs.debian.org/cgi-bin/bugreport.cgi?bug=666503 def __print(self,text): print("__print not working yet") return printer = qt.QPrinter() printDialog = qt.QPrintDialog(printer, self) if printDialog.exec_(): if 0: #this was crashing in Qt 4.2.2 #with the PyQt snapshot of 20061203 editor = qt.QTextEdit() cursor = editor.textCursor() cursor.movePosition(qt.QTextCursor.Start) editor.insertHtml(text) document = editor.document() else: document = qt.QTextDocument() document.setHtml(text) document.print_(printer) def setdata(self, *var, **kw): if DEBUG: print("McaAdvancedFit.setdata deprecated, use setData instead.") return self.setData( *var, **kw) def setData(self,*var,**kw): """ The simplest way to use it is to pass at least the y keyword containing the channel counts. The other items are not mandatory. :keywords: x channels y counts in each channel sigmay uncertainties to be applied if different than sqrt(y) xmin minimum channel of the fit xmax maximum channel of the fit calibration list of the form [a, b, c] containing the mca calibration time float containing the time or monitor factor to be used in the concentrations if requested. """ self.__fitdone = 0 self.info ={} key = 'legend' if key in kw: self.info[key] = kw[key] else: self.info[key] = 'Unknown Origin' key = 'xlabel' if key in kw: self.info[key] = kw[key] else: self.info[key] = 'X' key = 'xmin' if key in kw: self.info[key] = "%.3f" % kw[key] else: self.info[key] = "????" key = 'xmax' if key in kw: self.info[key] = "%.3f" % kw[key] else: self.info[key] = "????" key = 'sourcename' if key in kw: self.info[key] = "%s" % kw[key] else: self.info[key] = "Unknown Source" key = 'time' if key in kw: self.info[key] = kw[key] else: self.info[key] = None self.__var = var self.__kw = kw try: self.mcafit.setData(*var,**kw) except ValueError: if self.info["time"] is None: if "concentrations" in self.mcafit.config: if self.mcafit.config["concentrations"].get("useautotime", False): if not self.mcafit.config["concentrations"]["usematrix"]: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Information) txt = "No time information associated to spectrum but requested in configuration.\n" txt += "Please correct the acquisition time in your configuration." msg.setText(txt) msg.exec_() self.mcafit.config["concentrations"] ["useautotime"] = 0 kw["time"] = None self.mcafit.setData(*var, **kw) else: raise else: raise else: raise self.info["calibration"] = kw.get('calibration', None) if 'calibration' in kw: if kw['calibration'] is not None: # The condition below gave troubles because it was using the # current calibration even if the x data where actual energies. # if (kw['calibration'] != [0.0,1.0,0.0]): if not self.mcafit.config['detector'].get('ignoreinputcalibration', False): self.mcafit.config['detector']['zero']=kw['calibration'][0] * 1 self.mcafit.config['detector']['gain']=kw['calibration'][1] * 1 if self.configDialog is not None: self.configDialog.setData(self.mcafit.xdata * 1.0, self.mcafit.ydata * 1.0, info=copy.deepcopy(self.info)) if self.concentrationsWidget is not None: if self.mcafit.config["concentrations"].get("useautotime", False): self.concentrationsWidget.setTimeFactor(self.info["time"], signal=False) self.setHeader(text="Fit of %s from %s %s to %s" % (self.info['legend'], self.info['xlabel'], self.info['xmin'], self.info['xmax'])) self._updateTop() self.plot() def setheader(self, *var, **kw): if DEBUG: print("McaAdvancedFit.setheader deprecated, use setHeader instead.") return self.setHeader( *var, **kw) def setHeader(self,*var,**kw): if len(var): text = var[0] elif 'text' in kw: text = kw['text'] elif 'header' in kw: text = kw['header'] else: text = "" self.headerLabel.setText("%s" % text) def fit(self): """ Function called to start the fit process. Interactive use It returns a dictionnary containing the fit results or None in case of unsuccessfull fit. Embedded use In case of successfull fit emits a signal of the form: self.sigMcaAdvancedFitSignal.emit(ddict) where ddict['event'] = 'McaAdvancedFitFinished' """ self.__fitdone = 0 self.mcatable.setRowCount(0) if self.concentrationsWidget is not None: self.concentrationsWidget.concentrationsTable.setRowCount(0) self.diagnosticsWidget.clear() fitconfig = {} fitconfig.update(self.mcafit.configure()) if fitconfig['peaks'] == {}: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Information) msg.setText("No peaks defined.\nPlease configure peaks") msg.exec_() return if DEBUG: if DEBUG: print("calling estimate") self.mcafit.estimate() if DEBUG: print("calling startfit") fitresult,result = self.mcafit.startfit(digest=1) if DEBUG: print("filling table") self.mcatable.fillfrommca(result) if DEBUG: print("finished") elif 1: try: self.mcafit.estimate() thread = CalculationThread.CalculationThread( \ calculation_method = self.mcafit.startfit, calculation_kw = {'digest':1}, expand_vars=True, expand_kw=True) thread.start() CalculationThread.waitingMessageDialog(thread, message = "Calculating Fit", parent=self, modal=True, update_callback=None, frameless=True) threadResult = thread.getResult() if type(threadResult) == type((1,)): if len(threadResult): if threadResult[0] == "Exception": raise Exception(threadResult[1], threadResult[2]) fitresult = threadResult[0] result = threadResult[1] except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setWindowTitle("Fit error") msg.setText("Error on fit:") msg.setInformativeText(str(sys.exc_info()[1])) msg.setDetailedText(traceback.format_exc()) msg.exec_() return try: #self.mcatable.fillfrommca(self.mcafit.result) self.mcatable.fillfrommca(result) except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Error filling Table: %s" % (sys.exc_info()[1])) msg.exec_() return else: try: self.mcafit.estimate() threadResult = self._submitThread(self.mcafit.startfit, {'digest':1}, "Calculating Fit", True) if type(threadResult) == type((1,)): if len(threadResult): if threadResult[0] == "Exception": raise Exception(threadResult[1], threadResult[2]) fitresult = threadResult[0] result = threadResult[1] except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setWindowTitle("Fit error") msg.setText("Error on fit:") msg.setInformativeText(str(sys.exc_info()[1])) msg.setDetailedText(traceback.format_exc()) msg.exec_() return try: #self.mcatable.fillfrommca(self.mcafit.result) self.mcatable.fillfrommca(result) except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Error filling Table: %s" % (sys.exc_info()[1])) msg.exec_() return dict={} dict['event'] = "McaAdvancedFitFinished" dict['fitresult'] = fitresult dict['result'] = result #I should make a copy but ... self.dict = {} self.dict['info'] = {} self.dict['info'] = self.info.copy() self.dict['result'] = dict['result'] self.__fitdone = 1 # add the matrix spectrum if self.matrixSpectrumButton.isChecked(): self.matrixSpectrum() else: if "Matrix" in self.graph.getAllCurves(just_legend=True): self.graph.removeCurve("Matrix") # clear the Monte Carlo spectra (if any) self._xrfmcMatrixSpectra = None # add the peaks spectrum if self.peaksSpectrumButton.isChecked(): self.peaksSpectrum() else: self.__clearPeaksSpectrum() self.plot() if self.concentrationsWidget is not None: if (str(self.mainTab.tabText(self.mainTab.currentIndex())).upper() == 'CONCENTRATIONS') or \ (self.concentrationsWidget.parent() is None): if not self.concentrationsWidget.isHidden(): if DEBUG: self.concentrations() else: try: self.concentrations() except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Concentrations Error: %s" % (sys.exc_info()[1])) msg.exec_() return if str(self.mainTab.tabText(self.mainTab.currentIndex())).upper() == 'DIAGNOSTICS': try: self.diagnostics() except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Diagnostics Error: %s" % (sys.exc_info()[1])) msg.exec_() return return self.__anasignal(dict) def __anasignal(self, ddict): if type(ddict) != type({}): return if 'event' in ddict: ddict['info'] = {} ddict['info'].update(self.info) self.sigMcaAdvancedFitSignal.emit(ddict) #Simplify interactive usage of the module return ddict def dismiss(self): self.close() def closeEvent(self, event): if self.identifier is not None: self.identifier.close() qt.QWidget.closeEvent(self, event) def _mcaGraphSignalSlot(self, ddict): if ddict['event'] == "FitClicked": self.fit() elif ddict['event'] == "EnergyClicked": self.toggleEnergyAxis() elif ddict['event'] == "SaveClicked": self._saveGraph() elif ddict['event'].lower() in ["mouseclicked", "curveclicked"]: if ddict['button'] == 'left': if self._energyAxis: self.__peakIdentifier(ddict['x']) else: pass return def toggleEnergyAxis(self, dict=None): if self._energyAxis: self._energyAxis = False self.graph.setGraphXLabel('Channel') else: self._energyAxis = True self.graph.setGraphXLabel('Energy') self.plot() def plot(self, ddict=None): if self.graph.isYAxisLogarithmic(): logfilter = 1 else: logfilter = 0 config = self.mcafit.configure() if ddict is None: if not self.__fitdone: #just the data xdata = self.mcafit.xdata * 1.0 if self._energyAxis: xdata = config['detector'] ['zero'] + config['detector'] ['gain'] * xdata if self.mcafit.STRIP: ydata = self.mcafit.ydata + self.mcafit.zz else: ydata = self.mcafit.ydata * 1.0 xdata.shape= [len(xdata),] ydata.shape= [len(ydata),] self.graph.addCurve(xdata, ydata, legend="Data", replot=True, replace=True) self.graph.updateLegends() return else: ddict = self.dict if self._energyAxis: xdata = ddict['result']['energy'][:] else: xdata = ddict['result']['xdata'][:] self.graph.addCurve(xdata, ddict['result']['ydata'], legend="Data", replot=False) self.graph.addCurve(xdata, ddict['result']['yfit'], legend="Fit", replot=False) self.graph.addCurve(xdata, ddict['result']['continuum'], legend="Continuum", replot=False) curveList = self.graph.getAllCurves(just_legend=True) if config['fit']['sumflag']: self.graph.addCurve(xdata, ddict['result']['pileup'] + \ ddict['result']['continuum'], legend="Pile-up", replot=False) elif "Pile-up" in curveList: self.graph.removeCurve("Pile-up", replot=False) if self.matrixSpectrumButton.isChecked(): if 'ymatrix' in ddict['result']: self.graph.addCurve(xdata, ddict['result']['ymatrix'], legend="Matrix") else: self.graph.removeCurve("Matrix") else: self.graph.removeCurve("Matrix") if self._xrfmcMatrixSpectra is not None: if len(self._xrfmcMatrixSpectra): if self._energyAxis: mcxdata = self._xrfmcMatrixSpectra[1] else: mcxdata = self._xrfmcMatrixSpectra[0] mcydata0 = self._xrfmcMatrixSpectra[2] mcydatan = self._xrfmcMatrixSpectra[-1] self.graph.addCurve(mcxdata, mcydata0, legend='MC Matrix 1', replot=False) self.graph.addCurve(mcxdata, mcydatan, legend='MC Matrix %d' % (len(self._xrfmcMatrixSpectra) - 2), replot=False) if self.peaksSpectrumButton.isChecked(): keep = ['Data','Fit','Continuum','Matrix','Pile-up'] for group in ddict['result']['groups']: keep += ['y'+group] for key in curveList: if key not in keep: if key.startswith('MC Matrix'): if self._xrfmcMatrixSpectra in [None, []]: self.graph.removeCurve(key) else: self.graph.removeCurve(key) for group in ddict['result']['groups']: label = 'y'+group if label in ddict['result']: self.graph.addCurve(xdata, ddict['result'][label], legend=label, replot=False) else: if group in curveList: self.graph.removeCurve(label, replot=False) else: self.__clearPeaksSpectrum() self.graph.replot() self.graph.updateLegends() def _saveGraph(self, dict=None): curves = self.graph.getAllCurves() if not len(curves): return if not self.__fitdone: if False: # just save the data ? # just save data plus strip background if any? # for the time being just force to have the fit pass else: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) text = "Sorry, You need to perform a fit first.\n" msg.setText(text) msg.exec_() return if dict is None: #everything fitresult = self.dict else: fitresult = dict xdata = fitresult['result']['xdata'] # energy = fitresult['result']['energy'] # ydata = fitresult['result']['ydata'] # yfit = fitresult['result']['yfit'] # continuum = fitresult['result']['continuum'] # pileup = fitresult['result']['pileup'] # savelist = ['xdata', 'energy','ydata','yfit','continuum','pileup'] # parNames = fitresult['result']['parameters'] # parFit = fitresult['result']['fittedpar'] # parSigma = fitresult['result']['sigmapar'] #still to add the MC matrix spectrum # The Monte Carlo generated spectra # I assume the calibration is the same MCLabels, MCSpectra = self._getXRFMCLabelsAndSpectra(limits=\ (fitresult['result']['xdata'][0], fitresult['result']['xdata'][-1])) if MCLabels is not None: if MCSpectra[2].size != fitresult['result']['xdata'].size: print("Monte Carlo Spectra not saved: Wrong spectrum length.") MCLabels = None MCSpectra = None #get outputfile outfile = qt.QFileDialog(self) outfile.setModal(1) if self.lastInputDir is None: self.lastInputDir = PyMcaDirs.outputDir outfile.setWindowTitle("Output File Selection") if hasattr(qt, "QStringList"): strlist = qt.QStringList() else: strlist = [] format_list = ['Specfile MCA *.mca', 'Specfile Scan *.dat', 'Raw ASCII *.txt', '";"-separated CSV *.csv', '","-separated CSV *.csv', '"tab"-separated CSV *.csv', 'Graphics PNG *.png', 'Graphics EPS *.eps', 'Graphics SVG *.svg'] if not self.peaksSpectrumButton.isChecked(): format_list.append('B/WGraphics PNG *.png') format_list.append('B/WGraphics EPS *.eps') format_list.append('B/WGraphics SVG *.svg') for f in format_list: strlist.append(f) if hasattr(outfile, "setFilters"): outfile.setFilters(strlist) else: outfile.setNameFilters(strlist) outfile.setFileMode(outfile.AnyFile) outfile.setAcceptMode(qt.QFileDialog.AcceptSave) outfile.setDirectory(self.lastInputDir) ret = outfile.exec_() if ret: if hasattr(outfile, "selectedFilter"): filterused = qt.safe_str(outfile.selectedFilter()).split() else: filterused = qt.safe_str(outfile.selectedNameFilter()).split() filedescription = filterused[0] filetype = filterused[1] extension = filterused[2] outstr = qt.safe_str(outfile.selectedFiles()[0]) try: outputDir = os.path.dirname(outstr) self.lastInputDir = outputDir PyMcaDirs.outputDir = outputDir except: outputDir = "." #self.outdir = outputDir try: outputFile = os.path.basename(outstr) except: outputFile = outstr outfile.close() del outfile else: # pyflakes bug http://bugs.debian.org/cgi-bin/bugreport.cgi?bug=666494 outfile.close() del outfile return #always overwrite for the time being if len(outputFile) < len(extension[1:]): outputFile += extension[1:] elif outputFile[-4:] != extension[1:]: outputFile += extension[1:] specFile = os.path.join(outputDir, outputFile) try: os.remove(specFile) except: pass systemline = os.linesep os.linesep = '\n' try: if MATPLOTLIB: if filetype in ['EPS', 'PNG', 'SVG']: size = (7, 3.5) #in inches logy = self.graph.isYAxisLogarithmic() if filedescription == "B/WGraphics": bw = True else: bw = False if self.peaksSpectrumButton.isChecked(): legends = True elif 'ymatrix' in fitresult['result'].keys(): legends = False else: legends = False if self.matplotlibDialog is None: self.matplotlibDialog = QPyMcaMatplotlibSave1D.\ QPyMcaMatplotlibSaveDialog(size=size, logy=logy, legends=legends, bw = bw) mtplt = self.matplotlibDialog.plot mtplt.setParameters({'logy':logy, 'legends':legends, 'bw':bw}) """ mtplt = PyMcaMatplotlibSave.PyMcaMatplotlibSave(size=size, logy=logy, legends=legends, bw = bw) self.matplotlibDialog = None """ if self._energyAxis: x = fitresult['result']['energy'] else: x = fitresult['result']['xdata'] xmin, xmax = self.graph.getGraphXLimits() ymin, ymax = self.graph.getGraphYLimits() mtplt.setLimits(xmin, xmax, ymin, ymax) index = numpy.nonzero((xmin <= x) & (x <= xmax))[0] x = numpy.take(x, index) if bw: mtplt.addDataToPlot( x, numpy.take(fitresult['result']['ydata'],index), legend='data', color='k',linestyle=':', linewidth=1.5, markersize=3) else: mtplt.addDataToPlot( x, numpy.take(fitresult['result']['ydata'],index), legend='data', linewidth=1) mtplt.addDataToPlot( x, numpy.take(fitresult['result']['yfit'],index), legend='fit', linewidth=1.5) if not self.peaksSpectrumButton.isChecked(): mtplt.addDataToPlot( x, numpy.take(fitresult['result']['continuum'],index), legend='bck', linewidth=1.5) if self.top.sumbox.isChecked(): mtplt.addDataToPlot( x, numpy.take(fitresult['result']['pileup']+\ fitresult['result']['continuum'],index), legend="pile up", linewidth=1.5) if 'ymatrix' in fitresult['result'].keys(): mtplt.addDataToPlot( x, numpy.take(fitresult['result']['ymatrix'],index), legend='matrix', linewidth=1.5) if self._xrfmcMatrixSpectra is not None: if len(self._xrfmcMatrixSpectra): if self._energyAxis: mcxdata = self._xrfmcMatrixSpectra[1] else: mcxdata = self._xrfmcMatrixSpectra[0] mcindex = numpy.nonzero((xmin <= mcxdata) & (mcxdata <= xmax))[0] mcxdatax = numpy.take(mcxdata, mcindex) mcydata0 = numpy.take(self._xrfmcMatrixSpectra[2], mcindex) mcydatan = numpy.take(self._xrfmcMatrixSpectra[-1], mcindex) mtplt.addDataToPlot(mcxdatax, mcydata0, legend='MC Matrix 1', linewidth=1.5) mtplt.addDataToPlot(mcxdatax, mcydatan, legend='MC Matrix %d' % (len(self._xrfmcMatrixSpectra) - 2), linewidth=1.5) if self.peaksSpectrumButton.isChecked(): for group in fitresult['result']['groups']: label = 'y'+group if label in fitresult['result'].keys(): mtplt.addDataToPlot( x, numpy.take(fitresult['result'][label],index), legend=group, linewidth=1.5) if self._energyAxis: mtplt.setXLabel('Energy (keV)') else: mtplt.setXLabel('Channel') mtplt.setYLabel('Counts') mtplt.plotLegends() if self.matplotlibDialog is not None: ret = self.matplotlibDialog.exec_() if ret == qt.QDialog.Accepted: mtplt.saveFile(specFile) else: mtplt.saveFile(specFile) return except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setInformativeText("Matplotlib or Input Output Error: %s" \ % (sys.exc_info()[1])) msg.setDetailedText(traceback.format_exc()) msg.exec_() return try: if sys.version < "3.0": file = open(specFile, 'wb') else: file = open(specFile, 'w', newline='') except IOError: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Input Output Error: %s" % (sys.exc_info()[1])) msg.exec_() return try: if filetype == 'ASCII': keys = fitresult['result'].keys() for i in range(len(fitresult['result']['ydata'])): file.write("%.7g %.7g %.7g %.7g %.7g %.7g" % (fitresult['result']['xdata'][i], fitresult['result']['energy'][i], fitresult['result']['ydata'][i], fitresult['result']['yfit'][i], fitresult['result']['continuum'][i], fitresult['result']['pileup'][i])) if 'ymatrix' in fitresult['result'].keys(): file.write(" %.7g" % fitresult['result']['ymatrix'][i]) if MCLabels is not None: for nInteractions in range(2, len(MCLabels)): file.write(" %.7g" % MCSpectra[nInteractions][i]) for group in fitresult['result']['groups']: label = 'y'+group if label in keys: file.write(" %.7g" % fitresult['result'][label][i]) file.write("\n") file.close() return if filetype == 'CSV': if "," in filterused[0]: csv = "," elif ";" in filterused[0]: csv = ";" else: csv = "\t" keys = fitresult['result'].keys() headerLine = '"channel"%s"Energy"%s"counts"%s"fit"%s"continuum"%s"pileup"' % (csv, csv, csv, csv, csv) if 'ymatrix' in keys: headerLine += '%s"ymatrix"' % csv if MCLabels is not None: for nLabel in range(2, len(MCLabels)): headerLine += csv+ ('"%s"' % MCLabels[nLabel]) for group in fitresult['result']['groups']: label = 'y'+group if label in keys: headerLine += csv+ ('"%s"' % group) file.write(headerLine) file.write('\n') for i in range(len(fitresult['result']['ydata'])): file.write("%.7g%s%.7g%s%.7g%s%.7g%s%.7g%s%.7g" % (fitresult['result']['xdata'][i], csv, fitresult['result']['energy'][i], csv, fitresult['result']['ydata'][i], csv, fitresult['result']['yfit'][i], csv, fitresult['result']['continuum'][i], csv, fitresult['result']['pileup'][i])) if 'ymatrix' in fitresult['result'].keys(): file.write("%s%.7g" % (csv,fitresult['result']['ymatrix'][i])) if MCLabels is not None: for nInteractions in range(2, len(MCLabels)): file.write("%s%.7g" % (csv,MCSpectra[nInteractions][i])) for group in fitresult['result']['groups']: label = 'y'+group if label in keys: file.write("%s%.7g" % (csv,fitresult['result'][label][i])) file.write("\n") file.close() return #header is almost common to specfile and mca file.write("#F %s\n" % specFile) file.write("#D %s\n"%(time.ctime(time.time()))) file.write("\n") legend = str(self.headerLabel.text()).strip('<b>') legend.strip('<\b>') file.write("#S 1 %s\n" % legend) file.write("#D %s\n"%(time.ctime(time.time()))) i = 0 for parameter in fitresult['result']['parameters']: file.write("#U%d %s %.7g +/- %.3g\n" % (i, parameter, fitresult['result']['fittedpar'][i], fitresult['result']['sigmapar'][i])) i+=1 if filetype == 'Scan': keys = fitresult['result'].keys() labelline= "#L channel Energy counts fit continuum pileup" if 'ymatrix' in keys: nlabels = 7 labelline += "ymatrix" else: nlabels = 6 if MCLabels is not None: for nLabel in range(2, len(MCLabels)): nlabels += 1 labelline += ' '+ MCLabels[nLabel] for group in fitresult['result']['groups']: label = 'y'+group if label in keys: nlabels += 1 labelline += ' '+group file.write("#N %d\n" % nlabels) file.write(labelline) file.write("\n") for i in range(len(fitresult['result']['ydata'])): file.write("%.7g %.7g %.7g %.7g %.7g %.7g" % (fitresult['result']['xdata'][i], fitresult['result']['energy'][i], fitresult['result']['ydata'][i], fitresult['result']['yfit'][i], fitresult['result']['continuum'][i], fitresult['result']['pileup'][i])) if 'ymatrix' in keys: file.write(" %.7g" % fitresult['result']['ymatrix'][i]) if MCLabels is not None: for nInteractions in range(2, len(MCLabels)): file.write(" %.7g" % MCSpectra[nInteractions][i]) for group in fitresult['result']['groups']: label = 'y'+group if label in keys: file.write(" %.7g" % fitresult['result'][label][i]) file.write("\n") else: file.write("#@MCA %16C\n") file.write("#@CHANN %d %d %d 1\n" % (len(fitresult['result']['ydata']), fitresult['result']['xdata'][0], fitresult['result']['xdata'][-1])) zeroindex = fitresult['result']['parameters'].index('Zero') gainindex = fitresult['result']['parameters'].index('Gain') file.write("#@CALIB %.7g %.7g 0.0\n" % (fitresult['result']['fittedpar'][zeroindex], fitresult['result']['fittedpar'][gainindex])) file.write(self.array2SpecMca(fitresult['result']['ydata'])) file.write(self.array2SpecMca(fitresult['result']['yfit'])) file.write(self.array2SpecMca(fitresult['result']['continuum'])) file.write(self.array2SpecMca(fitresult['result']['pileup'])) keys = fitresult['result'].keys() if 'ymatrix' in keys: file.write(self.array2SpecMca(fitresult['result']['ymatrix'])) # The Monte Carlo generated spectra # I assume the calibration is the same if MCLabels is not None: for i in range(2, len(MCLabels)): file.write(self.array2SpecMca(MCSpectra[i])) for group in fitresult['result']['groups']: label = 'y'+group if label in keys: file.write(self.array2SpecMca(fitresult['result'][label])) file.write("\n") file.close() except: os.linesep = systemline raise return def _getXRFMCLabelsAndSpectra(self, limits=None): labels = None spectra = None if self._xrfmcMatrixSpectra is not None: if len(self._xrfmcMatrixSpectra): labels = [] spectra = [] labels.append("channels") data = self._xrfmcMatrixSpectra[0] if limits: idx = numpy.nonzero((data >= limits[0]) & \ (data <= limits[1]))[0] data = data[idx] spectra.append(data) labels.append("energy") data = self._xrfmcMatrixSpectra[1] if limits: data = data[idx] spectra.append(data) for i in range(2, len(self._xrfmcMatrixSpectra)): labels.append("MC Matrix %d" % (i - 1)) data = self._xrfmcMatrixSpectra[i] if limits: data = data[idx] spectra.append(data) return labels, spectra def array2SpecMca(self, data): """ Write a python array into a Spec array. Return the string containing the Spec array """ tmpstr = "@A " length = len(data) for idx in range(0, length, 16): if idx+15 < length: for i in range(0,16): tmpstr += "%.4f " % data[idx+i] if idx+16 != length: tmpstr += "\\" else: for i in range(idx, length): tmpstr += "%.4f " % data[i] tmpstr += "\n" return tmpstr class Top(qt.QWidget): sigTopSignal = qt.pyqtSignal(object) def __init__(self,parent = None,name = None,fl = 0): qt.QWidget.__init__(self,parent) self.mainLayout= qt.QHBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(0) self.build() def build(self): self.__w=qt.QWidget(self) w = self.__w self.mainLayout.addWidget(w) wlayout = qt.QGridLayout(w) wlayout.setSpacing(5) #function FunLabel = qt.QLabel(w) FunLabel.setText(str("Function")) if QTVERSION < '4.0.0': self.FunComBox = qt.QComboBox(0,w,"FunComBox") self.FunComBox.insertStrList(["Mca Hypermet"]) self.FunComBox.insertStrList(["Mca Pseudo-Voigt"]) else: self.FunComBox = qt.QComboBox(w) self.FunComBox.insertItem(0, "Mca Hypermet") self.FunComBox.insertItem(1, "Mca Pseudo-Voigt") wlayout.addWidget(FunLabel,0,0) wlayout.addWidget(self.FunComBox,0,1) #background BkgLabel = qt.QLabel(w) BkgLabel.setText(str("Background")) if QTVERSION < '4.0.0': self.BkgComBox = qt.QComboBox(0,w,"BkgComBox") self.BkgComBox.insertStrList(['No Background', 'Constant', 'Linear', 'Parabolic', 'Linear Polynomial', 'Exp. Polynomial']) else: self.BkgComBox = qt.QComboBox(w) options = ['No Background', 'Constant', 'Linear', 'Parabolic', 'Linear Polynomial', 'Exp. Polynomial'] for item in options: self.BkgComBox.insertItem(options.index(item), item) self.FunComBox.activated[int].connect(self.mysignal) self.BkgComBox.activated[int].connect(self.mysignal) wlayout.addWidget(BkgLabel,1,0) wlayout.addWidget(self.BkgComBox,1,1) dummy = qt.QWidget(self) dummy.setMinimumSize(20,0) self.mainLayout.addWidget(dummy) self.mainLayout.addWidget(qt.HorizontalSpacer(self)) #the checkboxes if 0: w1 = qt.QVBox(self) self.WeightCheckBox = qt.QCheckBox(w1) self.WeightCheckBox.setText(str("Weight")) self.McaModeCheckBox = qt.QCheckBox(w1) self.McaModeCheckBox.setText(str("Mca Mode")) # Flags f = qt.QWidget(self) self.mainLayout.addWidget(f) f.layout= qt.QGridLayout(f) f.layout.setSpacing(5) flagsoffset = -1 coffset = 0 #hyplabel = qt.QLabel(f) #hyplabel.setText(str("<b>%s</b>" % 'FLAGS')) self.stbox = qt.QCheckBox(f) self.stbox.setText('Short Tail') self.ltbox = qt.QCheckBox(f) self.ltbox.setText('Long Tail') self.stepbox = qt.QCheckBox(f) self.stepbox.setText('Step Tail') self.escapebox = qt.QCheckBox(f) self.escapebox.setText('Escape') self.sumbox = qt.QCheckBox(f) self.sumbox.setText('Pile-up') self.stripbox = qt.QCheckBox(f) self.stripbox.setText('Strip Back.') #checkbox connections self.stbox.clicked.connect(self.mysignal) self.ltbox.clicked.connect(self.mysignal) self.stepbox.clicked.connect(self.mysignal) self.escapebox.clicked.connect(self.mysignal) self.sumbox.clicked.connect(self.mysignal) self.stripbox.clicked.connect(self.mysignal) #f.layout.addWidget(hyplabel,flagsoffset,coffset +1) f.layout.addWidget(self.stbox,flagsoffset+1,coffset +0) f.layout.addWidget(self.ltbox,flagsoffset+1,coffset +1) f.layout.addWidget(self.stepbox,flagsoffset+1,coffset +2) f.layout.addWidget(self.escapebox,flagsoffset+2,coffset +0) f.layout.addWidget(self.sumbox,flagsoffset+2,coffset +1) f.layout.addWidget(self.stripbox,flagsoffset+2,coffset +2) self.mainLayout.addWidget(qt.HorizontalSpacer(self)) #buttons g = qt.QWidget(self) self.mainLayout.addWidget(g) glayout = qt.QGridLayout(g) glayout.setSpacing(5) self.configureButton = qt.QPushButton(g) self.configureButton.setText(str("Configure")) self.printButton = qt.QPushButton(g) self.printButton.setText(str("Tools")) glayout.addWidget(self.configureButton,0,0) glayout.addWidget(self.printButton,1,0) def setParameters(self,ddict=None): if ddict == None: ddict = {} hypermetflag = ddict.get('hypermetflag', 1) if not ('fitfunction' in ddict): if hypermetflag: ddict['fitfunction'] = 0 else: ddict['fitfunction'] = 1 self.FunComBox.setCurrentIndex(ddict['fitfunction']) if 'hypermetflag' in ddict: hypermetflag = ddict['hypermetflag'] if ddict['fitfunction'] == 0: # g_term = hypermetflag & 1 st_term = (hypermetflag >>1) & 1 lt_term = (hypermetflag >>2) & 1 step_term = (hypermetflag >>3) & 1 self.stbox.setEnabled(1) self.ltbox.setEnabled(1) self.stepbox.setEnabled(1) if st_term: self.stbox.setChecked(1) else: self.stbox.setChecked(0) if lt_term: self.ltbox.setChecked(1) else: self.ltbox.setChecked(0) if step_term: self.stepbox.setChecked(1) else: self.stepbox.setChecked(0) else: self.stbox.setEnabled(0) self.ltbox.setEnabled(0) self.stepbox.setEnabled(0) key = 'sumflag' if key in ddict: if ddict[key] == 1: self.sumbox.setChecked(1) else: self.sumbox.setChecked(0) key = 'stripflag' if key in ddict: if ddict[key] == 1: self.stripbox.setChecked(1) else: self.stripbox.setChecked(0) key = 'escapeflag' if key in ddict: if ddict[key] == 1: self.escapebox.setChecked(1) else: self.escapebox.setChecked(0) key = 'continuum' if key in ddict: if QTVERSION < '4.0.0': self.BkgComBox.setCurrentItem(ddict[key]) else: self.BkgComBox.setCurrentIndex(ddict[key]) def getParameters(self): ddict={} index = self.FunComBox.currentIndex() ddict['fitfunction'] = index ddict['hypermetflag'] = 1 if index == 0: self.stbox.setEnabled(1) self.ltbox.setEnabled(1) self.stepbox.setEnabled(1) else: ddict['hypermetflag'] = 0 self.stbox.setEnabled(0) self.ltbox.setEnabled(0) self.stepbox.setEnabled(0) if self.stbox.isChecked(): ddict['hypermetflag'] += 2 if self.ltbox.isChecked(): ddict['hypermetflag'] += 4 if self.stepbox.isChecked(): ddict['hypermetflag'] += 8 if self.sumbox.isChecked(): ddict['sumflag'] = 1 else: ddict['sumflag'] = 0 if self.stripbox.isChecked(): ddict['stripflag'] = 1 else: ddict['stripflag'] = 0 if self.escapebox.isChecked(): ddict['escapeflag'] = 1 else: ddict['escapeflag'] = 0 if QTVERSION < '4.0.0': ddict['continuum'] = self.BkgComBox.currentItem() else: ddict['continuum'] = self.BkgComBox.currentIndex() return ddict def mysignal(self, *var): ddict = self.getParameters() self.sigTopSignal.emit(ddict) class Line(qt.QFrame): sigLineDoubleClickEvent = qt.pyqtSignal(object) def __init__(self, parent=None, name="Line", fl=0, info=None): qt.QFrame.__init__(self, parent) self.info = info self.setFrameShape(qt.QFrame.HLine) self.setFrameShadow(qt.QFrame.Sunken) self.setFrameShape(qt.QFrame.HLine) def mouseDoubleClickEvent(self, event): if DEBUG: print("Double Click Event") ddict={} ddict['event']="DoubleClick" ddict['data'] = event ddict['info'] = self.info self.sigLineDoubleClickEvent.emit(ddict) class SimpleThread(qt.QThread): def __init__(self, function = None, kw = None): if kw is None: kw={} qt.QThread.__init__(self) self._function = function self._kw = kw self._result = None self._expandParametersDict = False def run(self): try: if self._expandParametersDict: self._result = self._function(**self._kw) else: self._result = self._function(self._kw) except: self._result = ("Exception",) + sys.exc_info() class McaGraphWindow(PlotWindow.PlotWindow): def __init__(self, parent=None, backend=None, plugins=False, newplot=False, position=True, control=True, **kw): super(McaGraphWindow, self).__init__(parent, backend=backend, plugins=plugins, newplot=newplot, energy=True, roi=True, logx=False, fit=True, position=position, control=control, **kw) self.setDataMargins(0, 0, 0.025, 0.025) self.setPanWithArrowKeys(True) self.printPreview = PyMcaPrintPreview.PyMcaPrintPreview(modal = 0) self.setGraphYLabel("Counts") if self.energyButton.isChecked(): self.setGraphXLabel("Energy") else: self.setGraphXLabel("Channel") def printGraph(self): pixmap = qt.QPixmap.grabWidget(self.getWidgetHandle()) self.printPreview.addPixmap(pixmap) if self.printPreview.isHidden(): self.printPreview.show() self.printPreview.raise_() def _energyIconSignal(self): legend = self.getActiveCurve(just_legend=True) ddict={} ddict['event'] = 'EnergyClicked' ddict['active'] = legend self.sigPlotSignal.emit(ddict) def _fitIconSignal(self): legend = self.getActiveCurve(just_legend=True) ddict={} ddict['event'] = 'FitClicked' ddict['active'] = legend self.sigPlotSignal.emit(ddict) def _saveIconSignal(self): legend = self.getActiveCurve(just_legend=True) ddict={} ddict['event'] = 'SaveClicked' ddict['active'] = legend self.sigPlotSignal.emit(ddict) def setActiveCurve(self, legend, replot=True): super(McaGraphWindow, self).setActiveCurve(legend, replot=False) self.setGraphYLabel("Counts") if self.energyButton.isChecked(): self.setGraphXLabel("Energy") else: self.setGraphXLabel("Channel") if replot: self.replot() def test(ffile='03novs060sum.mca', cfg=None): from PyMca5.PyMcaIO import specfilewrapper as specfile app = qt.QApplication([]) app.lastWindowClosed.connect(app.quit) sf=specfile.Specfile(ffile) scan=sf[-1] nMca = scan.nbmca() mcadata=scan.mca(nMca) y0= numpy.array(mcadata) x = numpy.arange(len(y0))*1.0 demo = McaAdvancedFit() #This illustrates how to change the configuration #oldConfig = demo.configure() #oldConfig['fit']['xmin'] = 123 #demo.configure(oldConfig) if cfg is not None: d = ConfigDict.ConfigDict() d.read(cfg) demo.configure(d) d = None xmin = demo.mcafit.config['fit']['xmin'] xmax = demo.mcafit.config['fit']['xmax'] demo.setData(x,y0,xmin=xmin,xmax=xmax,sourcename=ffile) demo.show() app.exec_() def main(): app = qt.QApplication([]) form = McaAdvancedFit(top=False) form.show() sys.exit(app.exec_()) if __name__ == "__main__": if len(sys.argv) >1: ffile = sys.argv[1] else: ffile = '03novs060sum.mca' if len(sys.argv) > 2: cfg = sys.argv[2] else: cfg = None if os.path.exists(ffile): test(ffile, cfg) else: main() �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/physics/xrf/FitPeakSelect.py�������������������������������������������0000644�0002763�0000175�00000042775�13136054446�023042� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import copy from . import EnergyTable from PyMca5.PyMcaPhysics import Elements from .QPeriodicTable import QPeriodicTable from PyMca5.PyMcaGui import PyMcaQt as qt DEBUG = 0 QTVERSION = qt.qVersion() ElementList = Elements.ElementList __revision__ = "$Revision: 1.12 $" class PeakButton(qt.QPushButton): sigPeakClicked = qt.pyqtSignal(str) def __init__(self, parent, peak): qt.QPushButton.__init__(self, parent) #, peak) self.peak= peak font= self.font() font.setBold(1) self.setText(peak) self.setFlat(1) if QTVERSION < '4.0.0': self.setToggleButton(0) self.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Expanding, qt.QSizePolicy.Expanding)) self.selected= 0 self.brush= qt.QBrush(qt.QColor(qt.Qt.yellow)) self.clicked.connect(self.clickedSlot) def toggle(self): self.selected= not self.selected self.update() def setSelected(self, b): self.selected= b if b: role = self.backgroundRole() palette = self.palette() palette.setBrush( role,self.brush) self.setPalette(palette) else: role = self.backgroundRole() palette = self.palette() palette.setBrush( role, qt.QBrush()) self.setPalette(palette) self.update() def isSelected(self): return self.selected def clickedSlot(self): self.toggle() self.sigPeakClicked.emit(self.peak) def paintEvent(self, pEvent): p = qt.QPainter(self) wr= self.rect() pr= qt.QRect(wr.left()+1, wr.top()+1, wr.width()-2, wr.height()-2) if self.selected: p.fillRect(pr, self.brush) p.setPen(qt.Qt.black) if hasattr(p, "drawRoundRect"): p.drawRoundRect(pr) else: p.drawRoundedRect(pr, 1., 1., qt.Qt.RelativeSize) p.end() qt.QPushButton.paintEvent(self, pEvent) def drawButton(self, p): wr= self.rect() pr= qt.QRect(wr.left()+1, wr.top()+1, wr.width()-2, wr.height()-2) if self.selected: p.fillRect(pr, self.brush) qt.QPushButton.drawButtonLabel(self, p) p.setPen(qt.Qt.black) p.drawRoundRect(pr) class PeakButtonList(qt.QWidget): # emitted object is a list sigSelectionChanged = qt.pyqtSignal(object) def __init__(self, parent=None, name="PeakButtonList", peaklist=['K','Ka','Kb','L','L1','L2','L3','M'], fl=0): qt.QWidget.__init__(self,parent) self.peaklist = peaklist if QTVERSION < '4.0.0': layout= qt.QHBoxLayout(self, 0, 5) else: layout= qt.QHBoxLayout(self) layout.setContentsMargins(0, 0, 0, 0) layout.setSpacing(5) #, 0, 5) layout.addStretch(2) self.buttondict={} for key in peaklist: self.buttondict[key] = PeakButton(self, key) layout.addWidget(self.buttondict[key]) self.buttondict[key].sigPeakClicked.connect(self.__selection) layout.addStretch(1) #Reset self.resetBut = qt.QPushButton(self) self.resetBut.setText("Reset") layout.addWidget(self.resetBut) self.resetBut.clicked.connect(self.__resetBut) layout.addStretch(2) def __resetBut(self): for key in self.peaklist: self.buttondict[key].setSelected(0) self.sigSelectionChanged.emit([]) def __selection(self, peak): selection= [] for key in self.peaklist: if self.buttondict[key].isSelected(): selection.append(key) self.sigSelectionChanged.emit(selection) def setSelection(self, selection=[]): for key in self.peaklist: if key in selection: self.buttondict[key].setSelected(1) else: self.buttondict[key].setSelected(0) def setDisabled(self,selection=[]): for key in self.peaklist: if key in selection: self.buttondict[key].setEnabled(0) else: self.buttondict[key].setEnabled(1) class FitPeakSelect(qt.QWidget): sigFitPeakSelect = qt.pyqtSignal(object) def __init__(self, parent=None, name="FitPeakSelect", peakdict = {}, energyTable=None): qt.QWidget.__init__(self,parent) layout=qt.QVBoxLayout(self) layout.setContentsMargins(0, 0, 0, 0) layout.setSpacing(10) hbox = qt.QWidget(self) hboxLayout = qt.QHBoxLayout(hbox) hboxLayout.setContentsMargins(0, 0, 0, 0) hboxLayout.setSpacing(20) hboxLayout.addWidget(qt.HorizontalSpacer(hbox)) l1=MyQLabel(hbox, bold=True, color=qt.QColor(0,0,0)) hboxLayout.addWidget(l1) self.energyValue = None if energyTable is not None: text = '<b><nobr>Excitation Energy (keV)</nobr></b>' l1.setFixedWidth(l1.fontMetrics().width("##"+text+"####")) l1.setText(text) self.energyTable = energyTable add = 0 self.energy = MyQLabel(hbox) hboxLayout.addWidget(self.energy) self.energy.setFixedWidth(self.energy.fontMetrics().width('########.###')) self.energy.setAlignment(qt.Qt.AlignLeft) #self.energy.setForegroundColor(qt.Qt.red) else: l1.setText('<b><nobr>Excitation Energy (keV)</nobr></b>') self.energyTable = EnergyTable.EnergyTable(self) add = 1 self.energy = qt.QLineEdit(hbox) hboxLayout.addWidget(self.energy) self.energy.setFixedWidth(self.energy.fontMetrics().width('########.###')) self.energyButton = qt.QPushButton(hbox) hboxLayout.addWidget(self.energyButton) self.energyButton.setText("Update") self.energyButton.clicked.connect(self._energyClicked) hboxLayout.addWidget(qt.HorizontalSpacer(hbox)) layout.addSpacing(20) layout.addWidget(hbox) self.table = QPeriodicTable(self) line= qt.QFrame(self) line.setFrameShape(qt.QFrame.HLine) line.setFrameShadow(qt.QFrame.Sunken) self.peaks = PeakButtonList(self) self.peaks.setDisabled(['K','Ka','Kb','L','L1','L2','L3','M']) self.energyTable.sigEnergyTableSignal.connect(self._energyTableAction) self.table.sigElementClicked.connect(self.elementClicked) self.peaks.sigSelectionChanged.connect(self.peakSelectionChanged) #Reset All self.resetAllButton = qt.QPushButton(self.peaks) palette = qt.QPalette(self.resetAllButton.palette()) role = self.resetAllButton.foregroundRole() palette.setColor(role, qt.Qt.red) self.resetAllButton.setPalette(palette) self.resetAllButton.setText("Reset All") self.peaks.layout().addWidget(self.resetAllButton) self.resetAllButton.clicked.connect(self.__resetAll) layout.addWidget(self.table) layout.addWidget(line) layout.addWidget(self.peaks) if add:layout.addWidget(self.energyTable) layout.addStretch(1) self.current= None self.setSelection(peakdict) def __resetAll(self): msg=qt.QMessageBox.warning( self, "Clear selection", "Do you want to reset the selection for all elements?", qt.QMessageBox.Yes,qt.QMessageBox.No) if msg == qt.QMessageBox.No: return self.peakdict = {} self.table.setSelection(list(self.peakdict.keys())) self.peaks.setSelection([]) self.peakSelectionChanged([]) def __getZ(self,element): return ElementList.index(element) + 1 def setSelection(self,peakdict): self.peakdict = {} self.peakdict.update(peakdict) for key in list(self.peakdict.keys()): if type(self.peakdict[key])!= type([]): self.peakdict[key]= [ self.peakdict[key] ] self.table.setSelection(list(self.peakdict.keys())) def getSelection(self): ddict={} for key in list(self.peakdict.keys()): if len(self.peakdict[key]): ddict[key]= self.peakdict[key] return ddict def peakSelectionChanged(self,selection): if self.current is None: return if type(selection) != type([]): selection=selection.list self.peakdict[self.current] = selection if len(self.peakdict[self.current]): self.table.setElementSelected(self.current,1) else: self.table.setElementSelected(self.current,0) sel= self.getSelection() sel['current'] = self.current self.sigFitPeakSelect.emit((sel)) def elementClicked(self,symbol): if QTVERSION > '4.0.0':symbol = str(symbol) if not (symbol in self.peakdict): self.peakdict[symbol] = [] self.current = symbol if len(self.peakdict[self.current]): self.table.setElementSelected(self.current,1) else: self.table.setElementSelected(self.current,0) for ele in list(self.peakdict.keys()): if ele != symbol: if not len(self.peakdict[ele]): del self.peakdict[ele] sel= self.getSelection() sel['current'] = self.current self.setPeaksDisabled(symbol) self.sigFitPeakSelect.emit((sel)) self.peaks.setSelection(self.peakdict[symbol]) def setPeaksDisabled(self,symbol): z = self.__getZ(symbol) if (z > 47) and (Elements.getomegam5('Cd') > 0.0): #we have data available to support that disabled = [] elif z > 66: #self.peaks.setDisabled(['Ka','Kb']) #disabled = ['Ka','Kb'] disabled = [] elif z > 17: #self.peaks.setDisabled(['Ka','Kb','M']) #disabled = ['Ka','Kb','M'] disabled = ['M'] elif z > 2: #self.peaks.setDisabled(['Ka','Kb','L','L1','L2','L3','M']) #disabled = ['Ka','Kb','L','L1','L2','L3','M'] disabled = ['L','L1','L2','L3','M'] else: #self.peaks.setDisabled(['K','Ka','Kb','L','L1','L2','L3','M']) #disabled = ['Ka','Kb','L','L1','L2','L3','M'] disabled = ['Ka', 'Kb','L','L1','L2','L3','M'] ele = symbol if self.energyValue is not None: for peak in ['K', 'Ka', 'Kb', 'L','L1','L2','L3','M']: if peak not in disabled: if peak == 'L': if Elements.Element[ele]['binding']['L3'] > self.energyValue: disabled.append(peak) elif peak == 'M': if Elements.Element[ele]['binding']['M5'] > self.energyValue: disabled.append(peak) elif peak == 'Ka': if Elements.Element[ele]['binding']['K'] > self.energyValue: disabled.append(peak) elif peak == 'Kb': if Elements.Element[ele]['binding']['K'] > self.energyValue: disabled.append(peak) elif Elements.Element[ele]['binding'][peak] > self.energyValue: disabled.append(peak) else: pass self.peaks.setDisabled(disabled) def setEnergy(self, energy): if (energy is None) or (energy == []): self.energyValue = energy self.energy.setText("None") elif energy == "None": self.energyValue = None self.energy.setText("None") elif type(energy) == type([]): self.energyValue = max(energy) else: self.energyValue = energy self.energy.setText("%.4f" % energy) self._energyClicked() def _energyTableAction(self, ddict): if DEBUG: print("_energyTableAction called",) print("ddict = ",ddict.dict) elist, wlist, flist, slist= self.energyTable.getParameters() maxenergy = 0.0 for i in range(len(flist)): if flist[i]: if elist[i] is not None: if wlist[i] > 0.0: if elist[i] > maxenergy: maxenergy = elist[i] if maxenergy == 0.0:maxenergy = None self.setEnergy(maxenergy) def _energyClicked(self): string = str(self.energy.text()) string.replace(" ","") if (string != "None") and len(string): try: value = float(string) self.energyValue = value if False: self.energyButton.setFocus() except: msg=qt.QMessageBox(self.energy) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Invalid Float") msg.exec_loop() self.energy.setFocus() else: self.energyValue = None if False: self.energyButton.setFocus() self.__updateSelection() def __updateSelection(self): if self.energyValue is not None: for ele in list(self.peakdict.keys()): for peak in self.peakdict[ele]: if peak in self.peakdict[ele]: index = self.peakdict[ele].index(peak) if peak == 'L': if Elements.Element[ele]['binding']['L3'] > self.energyValue: del self.peakdict[ele][index] elif peak == 'M': if Elements.Element[ele]['binding']['M5'] > self.energyValue: del self.peakdict[ele][index] elif peak == "Ka": if Elements.Element[ele]['binding']['K'] > self.energyValue: del self.peakdict[ele][index] elif peak == "Kb": if Elements.Element[ele]['binding']['K'] > self.energyValue: del self.peakdict[ele][index] elif Elements.Element[ele]['binding'][peak] > self.energyValue: del self.peakdict[ele][index] else: pass if ele == self.current: self.peaks.setSelection(self.peakdict[ele]) self.peakSelectionChanged(self.peakdict[ele]) self.elementClicked(ele) if not len(self.peakdict[ele]): del self.peakdict[ele] dict = copy.deepcopy(self.peakdict) self.setSelection(dict) class MyQLineEdit(qt.QLineEdit): def __init__(self,parent=None,name=None): qt.QLineEdit.__init__(self,parent,name) def focusInEvent(self,event): self.setPaletteBackgroundColor(qt.QColor('yellow')) def focusOutEvent(self,event): self.setPaletteBackgroundColor(qt.QColor('white')) class MyQLabel(qt.QLabel): def __init__(self, parent=None, bold=True, color= qt.Qt.red): qt.QLabel.__init__(self,parent) palette = self.palette() role = self.foregroundRole() palette.setColor(role,color) self.setPalette(palette) self.font().setBold(bold) if QTVERSION < '4.0.0': def drawContents(self, painter): painter.font().setBold(self.bold) pal =self.palette() pal.setColor(qt.QColorGroup.Foreground,self.color) self.setPalette(pal) qt.QLabel.drawContents(self,painter) painter.font().setBold(0) def testwidget(): import sys def change(ddict): print("New selection:",) print(ddict) a = qt.QApplication(sys.argv) a.lastWindowClosed.connect(a.quit) w = qt.QTabWidget() f = FitPeakSelect() w.addTab(f, "QPeriodicTable") f.sigFitPeakSelect.connect(change) w.show() a.exec_() if __name__ == "__main__": testwidget() ���PyMca5-5.2.2/PyMca5/PyMcaGui/physics/xrf/MatrixImage.py���������������������������������������������0000644�0002763�0000175�00000530447�13136054446�022564� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys from PyMca5.PyMcaGui import PyMcaQt as qt image2=["312 177 16 1", " c black", ". c maroon", "X c green", "o c olive", "O c navy", "+ c purple", "@ c teal", "# c fractal", "$ c silver", "% c red", "& c lime", "* c yellow", "= c blue", "- c fuchsia", "; c aqua", ": c none", "::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::", 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@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@ :::::::::::::::::::::::::::", "::::::::::::::::::::::::::::::::::::: @@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@ :::::::::::::::::::::::::::", "::::::::::::::::::::::::::::::::::::: @@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@ :::::::::::::::::::::::::::", "::::::::::::::::::::::::::::::::::::: @@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@ :::::::::::::::::::::::::::", "::::::::::::::::::::::::::::::::::::: @@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@ :::::::::::::::::::::::::::", "::::::::::::::::::::::::::::::::::::: :::::::::::::::::::::::::::", "::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::", "::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::", "::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::", "::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::", "::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::", "::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::", "::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::", "::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::" ] image_small=[ ] class MatrixImage(qt.QWidget): def __init__(self,parent = None, name = "Matrix Image", size=None): qt.QWidget.__init__(self, parent) self.setWindowTitle(name) layout = qt.QVBoxLayout(self) self.label = qt.QLabel(self) self.setPixmap(size) layout.addWidget(self.label) def setPixmap(self, size): if size == "small": self.pixmap = qt.QPixmap(image_small) elif size == "image2": self.pixmap = qt.QPixmap(image2) elif size == "image2trans": self.pixmap = qt.QPixmap(image2trans) elif size == "medium": self.pixmap = qt.QPixmap(image_medium) else: self.pixmap = qt.QPixmap(image) self.label.setPixmap(self.pixmap) if __name__ == '__main__': a= qt.QApplication([]) a.lastWindowClosed.connect(a.quit) if len(sys.argv) > 1: w=MatrixImage(size=sys.argv[1]) else: w=MatrixImage() w.show() a.exec_() �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/physics/xrf/FitParamForm.py��������������������������������������������0000644�0002763�0000175�00000076735�13136054446�022711� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "E. Papillon & V. Armando Sole - ESRF Software Group" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys from PyMca5.PyMcaGui import PyMcaQt as qt QTVERSION = qt.qVersion() QLabelAlignRight = qt.Qt.AlignRight QLabelAlignCenter = qt.Qt.AlignCenter QLabelAlignVCenter= qt.Qt.AlignVCenter class Q3SpinBox(qt.QSpinBox): def setMinValue(self, v): self.setMinimum(v) def setMaxValue(self, v): self.setMaximum(v) def setLineStep(self, v): self.setSingleStep(v) class Q3GridLayout(qt.QGridLayout): def addMultiCellWidget(self, w, r0, r1, c0, c1, *var): self.addWidget(w, r0, c0, 1 + r1 - r0, 1 + c1 - c0) class FitParamForm(qt.QWidget): def __init__(self, parent=None): qt.QWidget.__init__(self,parent) FitParamFormLayout = qt.QVBoxLayout(self) FitParamFormLayout.setContentsMargins(11, 11, 11, 11) FitParamFormLayout.setSpacing(6) self.mainTab = qt.QTabWidget(self) self.tabFit = qt.QWidget() tabFitLayout = qt.QVBoxLayout(self.tabFit) tabFitLayout.setContentsMargins(11, 11, 11, 11) tabFitLayout.setSpacing(6) layout5 = Q3GridLayout(None) #,1,1, layout5.setContentsMargins(11, 11, 11, 11) layout5.setSpacing(6) self.functionCombo = qt.QComboBox(self.tabFit) self.functionCombo.insertItem = self.functionCombo.addItem self.functionLabel = qt.QLabel(self.tabFit) self.functionLabel.setText("Fit Function") self.functionCombo.insertItem(str("Mca Hypermet")) self.functionCombo.insertItem(str("Mca Pseudo-Voigt")) self.snipWidthLabel = qt.QLabel(self.tabFit) self.snipWidthLabel.setText(str("SNIP Background Width")) self.stripWidthLabel = qt.QLabel(self.tabFit) self.stripWidthLabel.setText(str("Strip Background Width")) self.stripIterValue = qt.QLineEdit(self.tabFit) self.chi2Label = qt.QLabel(self.tabFit) self.chi2Label.setText(str("Minimum chi^2 difference (%)")) self.chi2Value = qt.QLineEdit(self.tabFit) self.linearFitFlagCheck = qt.QCheckBox(self.tabFit) self.linearFitFlagCheck.setText(str("Perform a Linear Fit Fixing non-linear Parameters to Initial Values")) self.strategyCheckBox = qt.QCheckBox(self.tabFit) self.strategyCheckBox.setText(str("Perform a fit using the selected strategy")) self.strategyCombo = qt.QComboBox(self.tabFit) self.strategyCombo.addItem(str("Single Layer")) self.strategySetupButton = qt.QPushButton(self.tabFit) self.strategySetupButton.setText('SETUP') self.strategySetupButton.setAutoDefault(False) self.mainTab.addTab(self.tabFit,str("FIT")) self.lastLabel = qt.QLabel(self.tabFit) lastLabel_font = qt.QFont(self.lastLabel.font()) lastLabel_font.setItalic(1) self.lastLabel.setFont(lastLabel_font) self.lastLabel.setText(str("Last channel :")) self.lastLabel.setAlignment(QLabelAlignVCenter | QLabelAlignRight) self.regionCheck = qt.QCheckBox(self.tabFit) self.regionCheck.setText(str("Limit fitting region to :")) self.topLine = qt.QFrame(self.tabFit) self.topLine.setFrameShape(qt.QFrame.HLine) self.topLine.setFrameShadow(qt.QFrame.Sunken) self.topLine.setFrameShape(qt.QFrame.HLine) ########## self.weightLabel = qt.QLabel(self.tabFit) self.weightLabel.setText("Statistical weighting of data") self.weightCombo = qt.QComboBox(self.tabFit) self.weightCombo.insertItem = self.weightCombo.addItem self.weightCombo.insertItem(str("NO Weight")) self.weightCombo.insertItem(str("Poisson (1/Y)")) #self.weightCombo.insertItem(str("Poisson (1/Y2)")) ########## self.iterLabel = qt.QLabel(self.tabFit) self.iterLabel.setText(str("Number of fit iterations")) self.contCombo = qt.QComboBox(self.tabFit) self.contCombo.insertItem = self.contCombo.addItem self.contCombo.insertItem(str("NO Continuum")) self.contCombo.insertItem(str("Constant")) self.contCombo.insertItem(str("Linear")) self.contCombo.insertItem(str("Parabolic")) self.contCombo.insertItem(str("Linear Polynomial")) self.contCombo.insertItem(str("Exp. Polynomial")) self.stripCombo = qt.QComboBox(self.tabFit) self.stripCombo.insertItem = self.stripCombo.addItem self.stripComboLabel = qt.QLabel(self.tabFit) self.stripComboLabel.setText("Non-analytical (or estimation) background algorithm") self.stripCombo.insertItem(str("Strip")) self.stripCombo.insertItem(str("SNIP")) self.stripCombo.activated[int].connect(self._stripComboActivated) self.snipWidthSpin = Q3SpinBox(self.tabFit) self.snipWidthSpin.setMaxValue(300) self.snipWidthSpin.setMinValue(0) self.stripWidthSpin = Q3SpinBox(self.tabFit) self.stripWidthSpin.setMaxValue(100) self.stripWidthSpin.setMinValue(1) self.orderSpin = Q3SpinBox(self.tabFit) self.orderSpin.setMaxValue(10) self.orderSpin.setMinValue(1) maxnchannel = 16384*4 self.maxSpin = Q3SpinBox(self.tabFit) self.maxSpin.setMaxValue(maxnchannel) self.maxSpin.setLineStep(128) self.minSpin = Q3SpinBox(self.tabFit) self.minSpin.setMaxValue(maxnchannel) self.minSpin.setLineStep(128) self.stripIterLabel = qt.QLabel(self.tabFit) self.stripIterLabel.setText(str("Strip Background Iterations")) self.iterSpin = Q3SpinBox(self.tabFit) self.iterSpin.setMinValue(1) self.stripFilterLabel = qt.QLabel(self.tabFit) self.stripFilterLabel.setText(str("Strip Background Smoothing Width (Savitsky-Golay)")) self.stripFilterSpin = Q3SpinBox(self.tabFit) self.stripFilterSpin.setMinValue(1) self.stripFilterSpin.setMaxValue(40) self.stripFilterSpin.setLineStep(2) ######## self.anchorsContainer = qt.QWidget(self.tabFit) anchorsContainerLayout = qt.QHBoxLayout(self.anchorsContainer) anchorsContainerLayout.setContentsMargins(0, 0, 0, 0) anchorsContainerLayout.setSpacing(2) self.stripAnchorsFlagCheck = qt.QCheckBox(self.anchorsContainer) self.stripAnchorsFlagCheck.setText(str("Strip Background use Anchors")) anchorsContainerLayout.addWidget(self.stripAnchorsFlagCheck) self.stripAnchorsList = [] for i in range(4): anchorSpin = Q3SpinBox(self.anchorsContainer) anchorSpin.setMinValue(0) anchorSpin.setMaxValue(maxnchannel) anchorsContainerLayout.addWidget(anchorSpin) self.stripAnchorsList.append(anchorSpin) ####### self.firstLabel = qt.QLabel(self.tabFit) firstLabel_font = qt.QFont(self.firstLabel.font()) firstLabel_font.setItalic(1) self.firstLabel.setFont(firstLabel_font) self.firstLabel.setText(str("First channel :")) self.firstLabel.setAlignment(qt.Qt.AlignVCenter | qt.Qt.AlignRight) self.typeLabel = qt.QLabel(self.tabFit) self.typeLabel.setText(str("Continuum type")) self.orderLabel = qt.QLabel(self.tabFit) self.orderLabel.setText(str("Polynomial order")) self.bottomLine = qt.QFrame(self.tabFit) self.bottomLine.setFrameShape(qt.QFrame.HLine) self.bottomLine.setFrameShadow(qt.QFrame.Sunken) self.bottomLine.setFrameShape(qt.QFrame.HLine) layout5.addMultiCellWidget(self.functionLabel,0,0,0,1) layout5.addMultiCellWidget(self.functionCombo,0,0,3,4) layout5.addMultiCellWidget(self.typeLabel,1,1,0,1) layout5.addMultiCellWidget(self.contCombo,1,1,3,4) layout5.addMultiCellWidget(self.orderLabel,2,2,0,1) layout5.addMultiCellWidget(self.orderSpin,2,2,3,4) layout5.addMultiCellWidget(self.stripComboLabel, 3, 3, 0, 1) self.stripSetupButton = qt.QPushButton(self.tabFit) self.stripSetupButton.setText('SETUP') self.stripSetupButton.setAutoDefault(False) layout5.addWidget(self.stripCombo, 3, 3) layout5.addWidget(self.stripSetupButton, 3, 4) layout5.addMultiCellWidget(self.snipWidthLabel,4,4,0,1) layout5.addMultiCellWidget(self.snipWidthSpin,4,4,3,4) layout5.addMultiCellWidget(self.stripWidthLabel,5,5,0,1) layout5.addMultiCellWidget(self.stripWidthSpin,5,5,3,4) layout5.addMultiCellWidget(self.stripIterLabel,6,6,0,1) layout5.addMultiCellWidget(self.stripIterValue,6,6,3,4) layout5.addMultiCellWidget(self.stripFilterLabel,7,7,0,1) layout5.addMultiCellWidget(self.stripFilterSpin,7,7,3,4) layout5.addMultiCellWidget(self.anchorsContainer,8,8,0,4) layout5.addWidget(self.weightLabel,9,0) layout5.addMultiCellWidget(self.weightCombo,9,9,3,4) layout5.addWidget(self.iterLabel,10,0) layout5.addWidget(qt.HorizontalSpacer(self.tabFit),10,1) layout5.addMultiCellWidget(self.iterSpin,10,10,3,4) layout5.addWidget(self.chi2Label, 11, 0) layout5.addMultiCellWidget(self.chi2Value, 11, 11,3,4) layout5.addMultiCellWidget(self.strategyCheckBox, 12, 12, 0, 4) layout5.addWidget(self.strategyCombo, 12, 3) layout5.addWidget(self.strategySetupButton, 12, 4) layout5.addMultiCellWidget(self.linearFitFlagCheck, 13, 13, 0, 4) layout5.addMultiCellWidget(self.topLine, 14, 15,0,4) layout5.addMultiCellWidget(self.minSpin,15, 16,4,4) layout5.addWidget(self.regionCheck,16,0) layout5.addMultiCellWidget(self.firstLabel,16, 16,2,3) layout5.addMultiCellWidget(self.lastLabel,17,17,2,3) layout5.addWidget(self.maxSpin,17,4) layout5.addMultiCellWidget(self.bottomLine,18,18,0,4) tabFitLayout.addLayout(layout5) includeWidget = qt.QWidget(self.tabFit) includeLayout = Q3GridLayout(includeWidget) includeLayout.setContentsMargins(0, 0, 0, 0) includeLayout.setSpacing(3) self.stepCheck = qt.QCheckBox(includeWidget) self.stepCheck.setText(str("Step tail")) includeLayout.addWidget(self.stepCheck,2,2) self.escapeCheck = qt.QCheckBox(includeWidget) self.escapeCheck.setText(str("Escape peaks")) includeLayout.addWidget(self.escapeCheck,1,1) self.includeLabel = qt.QLabel(includeWidget) includeLabel_font = qt.QFont(self.includeLabel.font()) includeLabel_font.setBold(1) self.includeLabel.setFont(includeLabel_font) self.includeLabel.setText(str("Include:")) includeLayout.addWidget(self.includeLabel,0,0) self.sumCheck = qt.QCheckBox(includeWidget) self.sumCheck.setText(str("Pile-up peaks")) includeLayout.addWidget(self.sumCheck,1,2) self.scatterCheck = qt.QCheckBox(includeWidget) self.scatterCheck.setText(str("Scattering peaks")) includeLayout.addWidget(self.scatterCheck,1,3) self.stripCheck = qt.QCheckBox(includeWidget) self.stripCheck.setText(str("Stripping")) includeLayout.addWidget(self.stripCheck,1,0) self.longCheck = qt.QCheckBox(includeWidget) self.longCheck.setText(str("Long tail")) includeLayout.addWidget(self.longCheck,2,1) self.shortCheck = qt.QCheckBox(includeWidget) self.shortCheck.setText(str("Short tail")) includeLayout.addWidget(self.shortCheck,2,0) #tabFitLayout.addLayout(includeLayout) layout5.addMultiCellWidget(includeWidget,18,19,0,4) spacer_2 = qt.QSpacerItem(20, 40,\ qt.QSizePolicy.Minimum,\ qt.QSizePolicy.Expanding) tabFitLayout.addItem(spacer_2) #self.mainTab.addTab(self.tabFit,str("FIT")) self.tabDetector = qt.QWidget() tabDetectorLayout = qt.QVBoxLayout(self.tabDetector) tabDetectorLayout.setContentsMargins(11, 11, 11, 11) tabDetectorLayout.setSpacing(6) detLayout = Q3GridLayout(None) detLayout.setContentsMargins(0, 0, 0, 0) detLayout.setSpacing(2) self.elementCombo = qt.QComboBox(self.tabDetector) self.elementCombo.insertItem(0, str("Si")) self.elementCombo.insertItem(1, str("Ge")) self.elementCombo.insertItem(2, str("Cd1Te1")) self.elementCombo.insertItem(3, str("Hg1I2")) self.elementCombo.insertItem(4, str("Ga1As1")) self.elementCombo.setEnabled(1) self.elementCombo.setDuplicatesEnabled(0) detLayout.addWidget(self.elementCombo,0,3) self.elementLabel = qt.QLabel(self.tabDetector) self.elementLabel.setText(str("Detector Composition")) detLayout.addWidget(self.elementLabel,0,0) self.escapeLabel = qt.QLabel(self.tabDetector) self.escapeLabel.setText(str("Maximum Number of Escape energies")) detLayout.addMultiCellWidget(self.escapeLabel,3,4,0,0) #self.intensityValue0 = QLineEdit(self.tabDetector,"intensityValue0") #self.intensityValue0.setText(str("1.0")) #self.intensityValue0.setReadOnly(1) self.nEscapeThreshold = Q3SpinBox(self.tabDetector) self.nEscapeThreshold.setMaxValue(20) self.nEscapeThreshold.setMinValue(1) self.nEscapeThreshold.setValue(4) #detLayout.addWidget(self.intensityValue0,3,3) detLayout.addWidget(self.nEscapeThreshold,3,3) spacer_4 = qt.QSpacerItem(89, 20,\ qt.QSizePolicy.Expanding, qt.QSizePolicy.Minimum) detLayout.addItem(spacer_4,3,1) tabDetectorLayout.addLayout(detLayout) self.calibLine = qt.QFrame(self.tabDetector) self.calibLine.setFrameShape(qt.QFrame.HLine) self.calibLine.setFrameShadow(qt.QFrame.Sunken) self.calibLine.setFrameShape(qt.QFrame.HLine) tabDetectorLayout.addWidget(self.calibLine) layout5_2 = Q3GridLayout(None) layout5_2.setContentsMargins(11, 11, 11, 11) layout5_2.setSpacing(2) self.zeroError = qt.QLineEdit(self.tabDetector) layout5_2.addWidget(self.zeroError,1,5) self.sumfacSepLabel = qt.QLabel(self.tabDetector) sumfacSepLabel_font = qt.QFont(self.sumfacSepLabel.font()) sumfacSepLabel_font.setBold(1) self.sumfacSepLabel.setFont(sumfacSepLabel_font) self.sumfacSepLabel.setText(str("+/-")) layout5_2.addWidget(self.sumfacSepLabel,5,4) self.noiseLabel = qt.QLabel(self.tabDetector) self.noiseLabel.setText(str("Detector noise (keV)")) layout5_2.addWidget(self.noiseLabel,3,0) self.gainCheck = qt.QCheckBox(self.tabDetector) self.gainCheck.setText(str("")) layout5_2.addWidget(self.gainCheck,2,2) self.gainLabel = qt.QLabel(self.tabDetector) self.gainLabel.setText(str("Spectrometer gain (keV/ch)")) layout5_2.addWidget(self.gainLabel,2,0) self.sumfacLabel = qt.QLabel(self.tabDetector) self.sumfacLabel.setText(str("Pile-up Factor")) layout5_2.addWidget(self.sumfacLabel,5,0) self.noiseError = qt.QLineEdit(self.tabDetector) layout5_2.addWidget(self.noiseError,3,5) self.zeroValue = qt.QLineEdit(self.tabDetector) layout5_2.addWidget(self.zeroValue,1,3) self.fanoSepLabel = qt.QLabel(self.tabDetector) fanoSepLabel_font = qt.QFont(self.fanoSepLabel.font()) fanoSepLabel_font.setBold(1) self.fanoSepLabel.setFont(fanoSepLabel_font) self.fanoSepLabel.setText(str("+/-")) layout5_2.addWidget(self.fanoSepLabel,4,4) self.fanoError = qt.QLineEdit(self.tabDetector) layout5_2.addWidget(self.fanoError,4,5) self.zeroSepLabel = qt.QLabel(self.tabDetector) zeroSepLabel_font = qt.QFont(self.zeroSepLabel.font()) zeroSepLabel_font.setBold(1) self.zeroSepLabel.setFont(zeroSepLabel_font) self.zeroSepLabel.setText(str("+/-")) layout5_2.addWidget(self.zeroSepLabel,1,4) self.valueLabel = qt.QLabel(self.tabDetector) valueLabel_font = qt.QFont(self.valueLabel.font()) valueLabel_font.setItalic(1) self.valueLabel.setFont(valueLabel_font) self.valueLabel.setText(str("Value")) self.valueLabel.setAlignment(qt.Qt.AlignCenter) layout5_2.addWidget(self.valueLabel,0,3) layout5_2.addWidget(qt.HorizontalSpacer(self.tabDetector),1,1) self.noiseValue = qt.QLineEdit(self.tabDetector) layout5_2.addWidget(self.noiseValue,3,3) self.fanoValue = qt.QLineEdit(self.tabDetector) layout5_2.addWidget(self.fanoValue,4,3) self.zeroLabel = qt.QLabel(self.tabDetector) self.zeroLabel.setText(str("Spectrometer zero (keV)")) layout5_2.addWidget(self.zeroLabel,1,0) self.sumfacError = qt.QLineEdit(self.tabDetector) layout5_2.addWidget(self.sumfacError,5,5) self.noiseSepLabel = qt.QLabel(self.tabDetector) noiseSepLabel_font = qt.QFont(self.noiseSepLabel.font()) noiseSepLabel_font.setBold(1) self.noiseSepLabel.setFont(noiseSepLabel_font) self.noiseSepLabel.setText(str("+/-")) layout5_2.addWidget(self.noiseSepLabel,3,4) self.sumfacCheck = qt.QCheckBox(self.tabDetector) self.sumfacCheck.setText(str("")) layout5_2.addWidget(self.sumfacCheck,5,2) self.noiseCheck = qt.QCheckBox(self.tabDetector) self.noiseCheck.setText(str("")) layout5_2.addWidget(self.noiseCheck,3,2) self.errorLabel = qt.QLabel(self.tabDetector) errorLabel_font = qt.QFont(self.errorLabel.font()) errorLabel_font.setItalic(1) self.errorLabel.setFont(errorLabel_font) self.errorLabel.setText(str("Delta ")) self.errorLabel.setAlignment(QLabelAlignCenter) layout5_2.addWidget(self.errorLabel,0,5) self.fixedLabel = qt.QLabel(self.tabDetector) fixedLabel_font = qt.QFont(self.fixedLabel.font()) fixedLabel_font.setItalic(1) self.fixedLabel.setFont(fixedLabel_font) self.fixedLabel.setText(str("Fixed ")) self.fixedLabel.setAlignment(qt.Qt.AlignVCenter) layout5_2.addWidget(self.fixedLabel,0,2) self.zeroCheck = qt.QCheckBox(self.tabDetector) self.zeroCheck.setText(str("")) layout5_2.addWidget(self.zeroCheck,1,2) self.sumfacValue = qt.QLineEdit(self.tabDetector,) layout5_2.addWidget(self.sumfacValue,5,3) self.fanoLabel = qt.QLabel(self.tabDetector) self.fanoLabel.setText(str("Fano factor (Si ~ 0.12, Ge ~ 0.1)")) layout5_2.addWidget(self.fanoLabel,4,0) self.gainValue = qt.QLineEdit(self.tabDetector) layout5_2.addWidget(self.gainValue,2,3) self.gainSepLabel = qt.QLabel(self.tabDetector) gainSepLabel_font = qt.QFont(self.gainSepLabel.font()) gainSepLabel_font.setBold(1) self.gainSepLabel.setFont(gainSepLabel_font) self.gainSepLabel.setText(str("+/-")) layout5_2.addWidget(self.gainSepLabel, 2, 4) self.fanoCheck = qt.QCheckBox(self.tabDetector) self.fanoCheck.setText(str("")) layout5_2.addWidget(self.fanoCheck, 4, 2) self.gainError = qt.QLineEdit(self.tabDetector) layout5_2.addWidget(self.gainError, 2, 5) self.ignoreSpectrumCalibration = qt.QCheckBox(self.tabDetector) ignoreToolTip = "If checked, the starting calibration parameters " ignoreToolTip += "will not be replaced by the input spectrum " ignoreToolTip += "ones.\n" self.ignoreSpectrumCalibration.setToolTip(ignoreToolTip) ignoreText = "Ignore calibration from input data" self.ignoreSpectrumCalibration.setText(ignoreText) self.ignoreSpectrumCalibration.setChecked(False) layout5_2.addWidget(self.ignoreSpectrumCalibration, 6, 0) tabDetectorLayout.addLayout(layout5_2) spacer_6 = qt.QSpacerItem(20, 2,\ qt.QSizePolicy.Minimum,\ qt.QSizePolicy.Expanding) tabDetectorLayout.addItem(spacer_6) self.mainTab.addTab(self.tabDetector,str("DETECTOR")) self.TabBeam = qt.QWidget() self.mainTab.addTab(self.TabBeam,str("BEAM")) self.TabPeaks = qt.QWidget() self.mainTab.addTab(self.TabPeaks,str("PEAKS")) self.tabPeakShape = qt.QWidget() tabPeakShapeLayout = Q3GridLayout(self.tabPeakShape) tabPeakShapeLayout.setContentsMargins(11, 11, 11, 11) tabPeakShapeLayout.setSpacing(2) spacer_7 = qt.QSpacerItem(20, 90,\ qt.QSizePolicy.Minimum,\ qt.QSizePolicy.Expanding) tabPeakShapeLayout.addItem(spacer_7,8,0) self.staLabel = qt.QLabel(self.tabPeakShape) self.staLabel.setText(str("Short Tail Area")) tabPeakShapeLayout.addWidget(self.staLabel,2,0) spacer_8 = qt.QSpacerItem(59, 20,\ qt.QSizePolicy.Expanding,\ qt.QSizePolicy.Minimum) tabPeakShapeLayout.addItem(spacer_8,1,1) self.fixedLabel_2 = qt.QLabel(self.tabPeakShape) fixedLabel_2_font = qt.QFont(self.fixedLabel_2.font()) fixedLabel_2_font.setItalic(1) self.fixedLabel_2.setFont(fixedLabel_2_font) self.fixedLabel_2.setText(str("Fixed")) self.fixedLabel_2.setAlignment(QLabelAlignVCenter) tabPeakShapeLayout.addWidget(self.fixedLabel_2, 1, 2) self.staCheck = qt.QCheckBox(self.tabPeakShape) self.staCheck.setText(str("")) tabPeakShapeLayout.addWidget(self.staCheck,2,2) self.valueLabel_2 = qt.QLabel(self.tabPeakShape) valueLabel_2_font = qt.QFont(self.valueLabel_2.font()) valueLabel_2_font.setItalic(1) self.valueLabel_2.setFont(valueLabel_2_font) self.valueLabel_2.setText(str("Value")) self.valueLabel_2.setAlignment(QLabelAlignCenter) tabPeakShapeLayout.addWidget(self.valueLabel_2,1,3) self.staValue = qt.QLineEdit(self.tabPeakShape) tabPeakShapeLayout.addWidget(self.staValue,2,3) self.staSep = qt.QLabel(self.tabPeakShape) staSep_font = qt.QFont(self.staSep.font()) staSep_font.setBold(1) self.staSep.setFont(staSep_font) self.staSep.setText(str("+/-")) tabPeakShapeLayout.addWidget(self.staSep,2,4) self.errorLabel_2 = qt.QLabel(self.tabPeakShape) errorLabel_2_font = qt.QFont(self.errorLabel_2.font()) errorLabel_2_font.setItalic(1) self.errorLabel_2.setFont(errorLabel_2_font) self.errorLabel_2.setText(str("Error")) self.errorLabel_2.setAlignment(QLabelAlignCenter) tabPeakShapeLayout.addWidget(self.errorLabel_2,1,5) self.staError = qt.QLineEdit(self.tabPeakShape) tabPeakShapeLayout.addWidget(self.staError,2,5) self.stsError = qt.QLineEdit(self.tabPeakShape) tabPeakShapeLayout.addWidget(self.stsError,3,5) self.stsSep = qt.QLabel(self.tabPeakShape) stsSep_font = qt.QFont(self.stsSep.font()) stsSep_font.setBold(1) self.stsSep.setFont(stsSep_font) self.stsSep.setText(str("+/-")) tabPeakShapeLayout.addWidget(self.stsSep,3,4) self.stsValue = qt.QLineEdit(self.tabPeakShape) tabPeakShapeLayout.addWidget(self.stsValue,3,3) self.stsCheck = qt.QCheckBox(self.tabPeakShape) self.stsCheck.setText(str("")) tabPeakShapeLayout.addWidget(self.stsCheck,3,2) self.stsLabel = qt.QLabel(self.tabPeakShape) self.stsLabel.setText(str("Short Tail Slope")) tabPeakShapeLayout.addWidget(self.stsLabel,3,0) self.ltaLabel = qt.QLabel(self.tabPeakShape) self.ltaLabel.setText(str("Long Tail Area")) tabPeakShapeLayout.addWidget(self.ltaLabel,4,0) self.ltaCheck = qt.QCheckBox(self.tabPeakShape) self.ltaCheck.setText(str("")) tabPeakShapeLayout.addWidget(self.ltaCheck,4,2) self.ltaValue = qt.QLineEdit(self.tabPeakShape) tabPeakShapeLayout.addWidget(self.ltaValue,4,3) self.ltaSep = qt.QLabel(self.tabPeakShape) ltaSep_font = qt.QFont(self.ltaSep.font()) ltaSep_font.setBold(1) self.ltaSep.setFont(ltaSep_font) self.ltaSep.setText(str("+/-")) tabPeakShapeLayout.addWidget(self.ltaSep,4,4) self.ltaError = qt.QLineEdit(self.tabPeakShape) tabPeakShapeLayout.addWidget(self.ltaError,4,5) self.ltsError = qt.QLineEdit(self.tabPeakShape) tabPeakShapeLayout.addWidget(self.ltsError,5,5) self.ltsSep = qt.QLabel(self.tabPeakShape) ltsSep_font = qt.QFont(self.ltsSep.font()) ltsSep_font.setBold(1) self.ltsSep.setFont(ltsSep_font) self.ltsSep.setText(str("+/-")) tabPeakShapeLayout.addWidget(self.ltsSep,5,4) self.ltsValue = qt.QLineEdit(self.tabPeakShape) tabPeakShapeLayout.addWidget(self.ltsValue,5,3) self.ltsCheck = qt.QCheckBox(self.tabPeakShape) self.ltsCheck.setText(str("")) tabPeakShapeLayout.addWidget(self.ltsCheck,5,2) self.ltsLabel = qt.QLabel(self.tabPeakShape) self.ltsLabel.setText(str("Long Tail Slope")) tabPeakShapeLayout.addWidget(self.ltsLabel,5,0) # Step Height self.shLabel = qt.QLabel(self.tabPeakShape) self.shLabel.setText(str("Step Height")) tabPeakShapeLayout.addWidget(self.shLabel,6,0) self.shCheck = qt.QCheckBox(self.tabPeakShape) self.shCheck.setText(str("")) tabPeakShapeLayout.addWidget(self.shCheck,6,2) self.shValue = qt.QLineEdit(self.tabPeakShape) tabPeakShapeLayout.addWidget(self.shValue,6,3) self.shSep = qt.QLabel(self.tabPeakShape) shSep_font = qt.QFont(self.shSep.font()) shSep_font.setBold(1) self.shSep.setFont(shSep_font) self.shSep.setText(str("+/-")) tabPeakShapeLayout.addWidget(self.shSep,6,4) self.shError = qt.QLineEdit(self.tabPeakShape) tabPeakShapeLayout.addWidget(self.shError,6,5) # Pseudo-Voigt Eta Factor self.etaLabel = qt.QLabel(self.tabPeakShape) self.etaLabel.setText(str("Pseudo-Voigt Eta")) tabPeakShapeLayout.addWidget(self.etaLabel,7,0) self.etaCheck = qt.QCheckBox(self.tabPeakShape) self.etaCheck.setText(str("")) tabPeakShapeLayout.addWidget(self.etaCheck,7,2) self.etaValue = qt.QLineEdit(self.tabPeakShape) tabPeakShapeLayout.addWidget(self.etaValue,7,3) self.etaSep = qt.QLabel(self.tabPeakShape) etaSep_font = qt.QFont(self.etaSep.font()) etaSep_font.setBold(1) self.etaSep.setFont(etaSep_font) self.etaSep.setText(str("+/-")) tabPeakShapeLayout.addWidget(self.etaSep,7,4) self.etaError = qt.QLineEdit(self.tabPeakShape) tabPeakShapeLayout.addWidget(self.etaError,7,5) self.mainTab.addTab(self.tabPeakShape,str("PEAK SHAPE")) FitParamFormLayout.addWidget(self.mainTab) self.setTabOrder(self.mainTab,self.elementCombo) self.setTabOrder(self.zeroCheck,self.zeroValue) self.setTabOrder(self.zeroValue,self.zeroError) self.setTabOrder(self.zeroError,self.gainCheck) self.setTabOrder(self.gainCheck,self.gainValue) self.setTabOrder(self.gainValue,self.gainError) self.setTabOrder(self.gainError,self.noiseCheck) self.setTabOrder(self.noiseCheck,self.noiseValue) self.setTabOrder(self.noiseValue,self.noiseError) self.setTabOrder(self.noiseError,self.fanoCheck) self.setTabOrder(self.fanoCheck,self.fanoValue) self.setTabOrder(self.fanoValue,self.fanoError) self.setTabOrder(self.fanoError,self.staCheck) self.setTabOrder(self.staCheck,self.staValue) self.setTabOrder(self.staValue,self.staError) self.setTabOrder(self.staError,self.stsCheck) self.setTabOrder(self.stsCheck,self.stsValue) self.setTabOrder(self.stsValue,self.stsError) self.setTabOrder(self.stsError,self.ltaCheck) self.setTabOrder(self.ltaCheck,self.ltaValue) self.setTabOrder(self.ltaValue,self.ltaError) self.setTabOrder(self.ltaError,self.ltsCheck) self.setTabOrder(self.ltsCheck,self.ltsValue) self.setTabOrder(self.ltsValue,self.ltsError) self.setTabOrder(self.ltsError,self.shCheck) self.setTabOrder(self.shCheck,self.shValue) self.setTabOrder(self.shValue,self.shError) self.setTabOrder(self.shError,self.contCombo) self.setTabOrder(self.contCombo,self.stripCombo) self.setTabOrder(self.stripCombo,self.iterSpin) self.setTabOrder(self.iterSpin,self.chi2Value) self.setTabOrder(self.chi2Value,self.regionCheck) self.setTabOrder(self.regionCheck,self.minSpin) self.setTabOrder(self.minSpin,self.maxSpin) self.setTabOrder(self.maxSpin,self.stripCheck) self.setTabOrder(self.stripCheck,self.escapeCheck) self.setTabOrder(self.escapeCheck,self.sumCheck) self.setTabOrder(self.sumCheck,self.scatterCheck) self.setTabOrder(self.scatterCheck,self.shortCheck) self.setTabOrder(self.shortCheck,self.longCheck) self.setTabOrder(self.longCheck,self.stepCheck) self._stripComboActivated(0) def _stripComboActivated(self, intValue): if intValue == 1: self.setSNIP(True) else: self.setSNIP(False) def setSNIP(self, bValue): if bValue: self.snipWidthSpin.setEnabled(True) self.stripWidthSpin.setEnabled(False) #self.stripFilterSpin.setEnabled(False) self.stripIterValue.setEnabled(False) self.stripCombo.setCurrentIndex(1) else: self.snipWidthSpin.setEnabled(False) #self.stripFilterSpin.setEnabled(True) self.stripWidthSpin.setEnabled(True) self.stripIterValue.setEnabled(True) self.stripCombo.setCurrentIndex(0) if __name__ == "__main__": a = qt.QApplication(sys.argv) a.lastWindowClosed.connect(a.quit) w = FitParamForm() w.show() a.exec_() �����������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/physics/xrf/QPeriodicTable.py������������������������������������������0000644�0002763�0000175�00000052121�13136054446�023170� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "E. Papillon & V. Armando Sole - ESRF Software Group" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys from PyMca5.PyMcaGui import PyMcaQt as qt QTVERSION = qt.qVersion() # # Symbol Atomic Number x y ( positions on table ) # name, mass, density # DEBUG = 0 Elements = [ ["H", 1, 1,1, "hydrogen", 1.00800, 1008.00 ], ["He", 2, 18,1, "helium", 4.00300, 0.118500 ], ["Li", 3, 1,2, "lithium", 6.94000, 534.000 ], ["Be", 4, 2,2, "beryllium", 9.01200, 1848.00 ], ["B", 5, 13,2, "boron", 10.8110, 2340.00 ], ["C", 6, 14,2, "carbon", 12.0100, 1580.00 ], ["N", 7, 15,2, "nitrogen", 14.0080, 1.25 ], ["O", 8, 16,2, "oxygen", 16.0000, 1.429 ], ["F", 9, 17,2, "fluorine", 19.0000, 1108.00 ], ["Ne", 10, 18,2, "neon", 20.1830, 0.9 ], ["Na", 11, 1,3, "sodium", 22.9970, 970.000 ], ["Mg", 12, 2,3, "magnesium", 24.3200, 1740.00 ], ["Al", 13, 13,3, "aluminium", 26.9700, 2720.00 ], ["Si", 14, 14,3, "silicon", 28.0860, 2330.00 ], ["P", 15, 15,3, "phosphorus", 30.9750, 1820.00 ], ["S", 16, 16,3, "sulphur", 32.0660, 2000.00 ], ["Cl", 17, 17,3, "chlorine", 35.4570, 1560.00 ], ["Ar", 18, 18,3, "argon", 39.9440, 1.78400 ], ["K", 19, 1,4, "potassium", 39.1020, 862.000 ], ["Ca", 20, 2,4, "calcium", 40.0800, 1550.00 ], ["Sc", 21, 3,4, "scandium", 44.9600, 2992.00 ], ["Ti", 22, 4,4, "titanium", 47.9000, 4540.00 ], ["V", 23, 5,4, "vanadium", 50.9420, 6110.00 ], ["Cr", 24, 6,4, "chromium", 51.9960, 7190.00 ], ["Mn", 25, 7,4, "manganese", 54.9400, 7420.00 ], ["Fe", 26, 8,4, "iron", 55.8500, 7860.00 ], ["Co", 27, 9,4, "cobalt", 58.9330, 8900.00 ], ["Ni", 28, 10,4, "nickel", 58.6900, 8900.00 ], ["Cu", 29, 11,4, "copper", 63.5400, 8940.00 ], ["Zn", 30, 12,4, "zinc", 65.3800, 7140.00 ], ["Ga", 31, 13,4, "gallium", 69.7200, 5903.00 ], ["Ge", 32, 14,4, "germanium", 72.5900, 5323.00 ], ["As", 33, 15,4, "arsenic", 74.9200, 5730.00 ], ["Se", 34, 16,4, "selenium", 78.9600, 4790.00 ], ["Br", 35, 17,4, "bromine", 79.9200, 3120.00 ], ["Kr", 36, 18,4, "krypton", 83.8000, 3.74000 ], ["Rb", 37, 1,5, "rubidium", 85.4800, 1532.00 ], ["Sr", 38, 2,5, "strontium", 87.6200, 2540.00 ], ["Y", 39, 3,5, "yttrium", 88.9050, 4405.00 ], ["Zr", 40, 4,5, "zirconium", 91.2200, 6530.00 ], ["Nb", 41, 5,5, "niobium", 92.9060, 8570.00 ], ["Mo", 42, 6,5, "molybdenum", 95.9500, 10220.00 ], ["Tc", 43, 7,5, "technetium", 99.0000, 11500.0 ], ["Ru", 44, 8,5, "ruthenium", 101.0700, 12410.0 ], ["Rh", 45, 9,5, "rhodium", 102.9100, 12440.0 ], ["Pd", 46, 10,5, "palladium", 106.400, 12160.0 ], ["Ag", 47, 11,5, "silver", 107.880, 10500.00 ], ["Cd", 48, 12,5, "cadmium", 112.410, 8650.00 ], ["In", 49, 13,5, "indium", 114.820, 7280.00 ], ["Sn", 50, 14,5, "tin", 118.690, 5310.00 ], ["Sb", 51, 15,5, "antimony", 121.760, 6691.00 ], ["Te", 52, 16,5, "tellurium", 127.600, 6240.00 ], ["I", 53, 17,5, "iodine", 126.910, 4940.00 ], ["Xe", 54, 18,5, "xenon", 131.300, 5.90000 ], ["Cs", 55, 1,6, "caesium", 132.910, 1873.00 ], ["Ba", 56, 2,6, "barium", 137.360, 3500.00 ], ["La", 57, 3,6, "lanthanum", 138.920, 6150.00 ], ["Ce", 58, 4,9, "cerium", 140.130, 6670.00 ], ["Pr", 59, 5,9, "praseodymium",140.920, 6769.00 ], ["Nd", 60, 6,9, "neodymium", 144.270, 6960.00 ], ["Pm", 61, 7,9, "promethium", 147.000, 6782.00 ], ["Sm", 62, 8,9, "samarium", 150.350, 7536.00 ], ["Eu", 63, 9,9, "europium", 152.000, 5259.00 ], ["Gd", 64, 10,9, "gadolinium", 157.260, 7950.00 ], ["Tb", 65, 11,9, "terbium", 158.930, 8272.00 ], ["Dy", 66, 12,9, "dysprosium", 162.510, 8536.00 ], ["Ho", 67, 13,9, "holmium", 164.940, 8803.00 ], ["Er", 68, 14,9, "erbium", 167.270, 9051.00 ], ["Tm", 69, 15,9, "thulium", 168.940, 9332.00 ], ["Yb", 70, 16,9, "ytterbium", 173.040, 6977.00 ], ["Lu", 71, 17,9, "lutetium", 174.990, 9842.00 ], ["Hf", 72, 4,6, "hafnium", 178.500, 13300.0 ], ["Ta", 73, 5,6, "tantalum", 180.950, 16600.0 ], ["W", 74, 6,6, "tungsten", 183.920, 19300.0 ], ["Re", 75, 7,6, "rhenium", 186.200, 21020.0 ], ["Os", 76, 8,6, "osmium", 190.200, 22500.0 ], ["Ir", 77, 9,6, "iridium", 192.200, 22420.0 ], ["Pt", 78, 10,6, "platinum", 195.090, 21370.0 ], ["Au", 79, 11,6, "gold", 197.200, 19370.0 ], ["Hg", 80, 12,6, "mercury", 200.610, 13546.0 ], ["Tl", 81, 13,6, "thallium", 204.390, 11860.0 ], ["Pb", 82, 14,6, "lead", 207.210, 11340.0 ], ["Bi", 83, 15,6, "bismuth", 209.000, 9800.00 ], ["Po", 84, 16,6, "polonium", 209.000, 0 ], ["At", 85, 17,6, "astatine", 210.000, 0 ], ["Rn", 86, 18,6, "radon", 222.000, 9.73000 ], ["Fr", 87, 1,7, "francium", 223.000, 0 ], ["Ra", 88, 2,7, "radium", 226.000, 0 ], ["Ac", 89, 3,7, "actinium", 227.000, 0 ], ["Th", 90, 4,10, "thorium", 232.000, 11700.0 ], ["Pa", 91, 5,10, "proactinium",231.03588, 0 ], ["U", 92, 6,10, "uranium", 238.070, 19050.0 ], ["Np", 93, 7,10, "neptunium", 237.000, 0 ], ["Pu", 94, 8,10, "plutonium", 239.100, 19700.0 ], ["Am", 95, 9,10, "americium", 243, 0 ], ["Cm", 96, 10,10, "curium", 247, 0 ], ["Bk", 97, 11,10, "berkelium", 247, 0 ], ["Cf", 98, 12,10, "californium",251, 0 ], ["Es", 99, 13,10, "einsteinium",252, 0 ], ["Fm", 100, 14,10, "fermium", 257, 0 ], ["Md", 101, 15,10, "mendelevium",258, 0 ], ["No", 102, 16,10, "nobelium", 259, 0 ], ["Lr", 103, 17,10, "lawrencium", 262, 0 ], ["Rf", 104, 4,7, "rutherfordium",261, 0 ], ["Db", 105, 5,7, "dubnium", 262, 0 ], ["Sg", 106, 6,7, "seaborgium", 266, 0 ], ["Bh", 107, 7,7, "bohrium", 264, 0 ], ["Hs", 108, 8,7, "hassium", 269, 0 ], ["Mt", 109, 9,7, "meitnerium", 268, 0 ], ] ElementList= [ elt[0] for elt in Elements ] class ElementButton(qt.QPushButton): sigElementEnter = qt.pyqtSignal(object) sigElementLeave = qt.pyqtSignal(object) sigElementClicked = qt.pyqtSignal(object) def __init__(self, parent, symbol, Z, name): qt.QPushButton.__init__(self, parent) self.symbol = symbol self.Z = Z self.name = name self.setText(symbol) self.setFlat(1) self.setCheckable(0) self.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Expanding, qt.QSizePolicy.Expanding)) self.selected= 0 self.current= 0 self.colors= [ qt.QColor(qt.Qt.yellow), qt.QColor(qt.Qt.darkYellow), qt.QColor(qt.Qt.gray) ] self.brush= qt.QBrush() self.clicked.connect(self.clickedSlot) def sizeHint(self): return qt.QSize(40, 40) def setCurrent(self, b): self.current= b self.__setBrush() def isCurrent(self): return self.current def isSelected(self): return self.selected def setSelected(self, b): self.selected= b self.__setBrush() def __setBrush(self): role = self.backgroundRole() palette = self.palette() if self.current and self.selected: self.brush= qt.QBrush(self.colors[1]) elif self.selected: self.brush= qt.QBrush(self.colors[0]) elif self.current: self.brush= qt.QBrush(self.colors[2]) else: self.brush= qt.QBrush() palette.setBrush( role,self.brush) self.update() def paintEvent(self, pEvent): p = qt.QPainter(self) wr= self.rect() pr= qt.QRect(wr.left()+1, wr.top()+1, wr.width()-2, wr.height()-2) if self.brush is not None: p.fillRect(pr, self.brush) p.setPen(qt.Qt.black) p.drawRect(pr) p.end() qt.QPushButton.paintEvent(self, pEvent) def drawButton(self, p): #Qt 2 and Qt3 wr= self.rect() pr= qt.QRect(wr.left()+1, wr.top()+1, wr.width()-2, wr.height()-2) if self.brush is not None: p.fillRect(pr, self.brush) qt.QPushButton.drawButtonLabel(self, p) p.setPen(qt.Qt.black) p.drawRect(pr) def enterEvent(self, e): self.sigElementEnter.emit((self.symbol, self.Z, self.name)) def leaveEvent(self, e): self.sigElementLeave.emit(self.symbol) def clickedSlot(self): self.sigElementClicked.emit(self.symbol) class QPeriodicTable(qt.QWidget): """ Periodic Table - qt.Qt version Public methods: setSelection(eltlist): set all elements in eltlist selected if mode single, set last element of eltlist selected getSelection(): get list of selected elements Signal: sigElementClicked(symbol): """ sigElementClicked = qt.pyqtSignal(object) def __init__(self, parent=None, name="PeriodicTable", fl=0): qt.QWidget.__init__(self,parent) self.setWindowTitle(name) self.gridLayout= qt.QGridLayout(self) self.gridLayout.setContentsMargins(0, 0, 0, 0) #, 6, 10, 0, 0, "PTLayout") self.gridLayout.addItem(qt.QSpacerItem(0, 5), 7, 0) for idx in range(10): self.gridLayout.setRowStretch(idx, 3) self.gridLayout.setRowStretch(7, 2) self.eltLabel= qt.QLabel(self) f= self.eltLabel.font() f.setBold(1) self.eltLabel.setFont(f) self.eltLabel.setAlignment(qt.Qt.AlignHCenter) self.gridLayout.addWidget(self.eltLabel, 1, 1, 3, 10) self.eltCurrent= None self.eltButton= {} for (symbol, Z, x, y, name, mass, density) in Elements: self.__addElement(symbol, Z, name, y-1, x-1) def __addElement(self, symbol, Z, name, row, col): b= ElementButton(self, symbol, Z, name) b.setAutoDefault(False) self.eltButton[symbol]= b self.gridLayout.addWidget(b, row, col) b.sigElementEnter.connect(self.elementEnter) b.sigElementLeave.connect(self.elementLeave) b.sigElementClicked.connect(self.elementClicked) def elementEnter(self, *var): if len(var) == 1: symbol, z, name = var[0] else: symbol, z, name = var self.eltLabel.setText("%s(%d) - %s"%(symbol, z, name)) def elementLeave(self, symbol): self.eltLabel.setText("") def elementClicked(self, symbol): if self.eltCurrent is not None: self.eltCurrent.setCurrent(0) symbol = str(symbol) self.eltButton[symbol].setCurrent(1) self.eltCurrent= self.eltButton[symbol] self.sigElementClicked.emit(symbol) def getSelection(self): return [ e for (e,b) in self.eltButton.items() if b.isSelected() ] def setSelection(self, symbolList): for (e,b) in self.eltButton.items(): b.setSelected(e in symbolList) def setElementSelected(self, symbol, state): self.eltButton[symbol].setSelected(state) def isElementSelected(self, symbol): return self.eltButton[symbol].isSelected() def elementToggle(self, symbol): symbol = str(symbol) b= self.eltButton[symbol] b.setSelected(not b.isSelected()) class QPeriodicComboTableItem(qt.QComboBox): """ Periodic Table Combo List to be used in a QTable Init options: table (mandatory)= parent QTable addnone= 1 (default) add "-" in the list to provide possibility to select no specific element. 0 only element list. detailed= 1 (default) display element symbol, Z and name 0 display only element symbol and Z Public methods: setSelection(eltsymbol): Set the element selected given its symbol getSelection(): Return symbol of element selected Signals: No specific signals. Use signals from QTable valueChanged(int,int) for example. """ def __init__(self, table, addnone=1, detailed=0): strlist= qt.QStringList() self.addnone= (addnone==1) if self.addnone: strlist.append("-") for (symbol, Z, x, y, name, mass, density) in Elements: if detailed: txt= "%2s (%d) - %s" % (symbol, Z, name) else: txt= "%2s (%d)" % (symbol, Z) strlist.append(txt) qt.QComboBox.__init__(self) self.addItems(strlist) print("still to continue") def setSelection(self, symbol=None): if symbol is None: if self.addnone: self.setCurrentItem(0) else: idx= self.addnone+ElementList[symbol] self.setCurrentItem(idx) def getSelection(self): idx = self.currentItem() if self.addnone and not idx: return None else: return ElementList[idx - self.addnone] class QPeriodicCombo(qt.QComboBox): """ Periodic Table Element list in a QComboBox Init options: detailed= 1 (default) display element symbol, Z and name 0 display only element symbol and Z Public methods: setSelection(eltsymbol): Set the element selected given its symbol getSelection(): Return symbol of element selected Signal: sigSelectionChanged(elt): signal sent when the selection changed send symbol of element selected """ sigSelectionChanged = qt.pyqtSignal(object) def __init__(self, parent=None, name=None, detailed=1): qt.QComboBox.__init__(self, parent) i = 0 for (symbol, Z, x, y, name, mass, density) in Elements: if detailed: txt= "%2s (%d) - %s"%(symbol, Z, name) else: txt= "%2s (%d)"%(symbol, Z) self.insertItem(i,txt) i += 1 self.activated[int].connect(self.__selectionChanged) def __selectionChanged(self, idx): self.sigSelectionChanged.emit(Elements[idx][0]) def getSelection(self): return Elements[self.currentItem()] def setSelection(self, symbol): symblist= [ elt[0] for elt in Elements ] self.setCurrentItem(symblist.index(symbol)) class QPeriodicList(qt.QTreeWidget): """ Periodic Table Element list in a QListView Init options: detailed= 1 (default) display element symbol, Z and name 0 display only element symbol and Z single= 1 for single element selection mode 0 (default) for multi element selection mode Public methods: setSelection(symbollist): Set the list of symbol selected getSelection(): Return the list of symbol selected Signal: sigSelectionChanged(elt): signal sent when the selection changed send list of symbol selected """ sigSelectionChanged = qt.pyqtSignal(object) sigItemSelectionChanged = qt.pyqtSignal(object) def __init__(self, master=None, name=None, fl=0, detailed=1, single=0): qt.QTreeWidget.__init__(self, master) self.detailed= (detailed==1) try: strlist= QStringList() except: strlist= [] strlist.append("Z") strlist.append("Symbol") if detailed: strlist.append("Name") self.setColumnCount(3) else: self.setColumnCount(2) self.setHeaderLabels(strlist) self.header().setStretchLastSection(False) self.setRootIsDecorated(0) self.sigItemSelectionChanged.connect(self.__selectionChanged) print("what to do? ") """ self.header().setClickEnabled(0, -1) self.setAllColumnsShowFocus(1) self.setSelectionMode((single and QListView.Single) or QListView.Extended) self.setSorting(-1) """ self.setSelectionMode((single and qt.QAbstractItemView.SingleSelection) or qt.QAbstractItemView.ExtendedSelection) self.__fill_list() self.resizeColumnToContents(0) self.resizeColumnToContents(1) if detailed: self.resizeColumnToContents(2) def __fill_list(self): self.items= [] after= None for (symbol, Z, x, y, name, mass, density) in Elements: if after is None: item= qt.QTreeWidgetItem(self) else: item= qt.QTreeWidgetItem(self, after) item.setText(0, str(Z)) item.setText(1, symbol) if self.detailed: item.setText(2, name) self.items.append(item) after= item """ def setSelection(self, symbolList): for idx in range(len(self.items)): self.items[idx].setSelected(Elements[idx][0] in symbolList) """ def __selectionChanged(self): self.sigSelectionChanged.emit(self.getSelection()) def getSelection(self): return [ Elements[idx][0] for idx in range(len(self.items)) \ if self.isItemSelected(self.items[idx]) ] #return self.selectedItems() #TODO: Implement this in Qt4 if QTVERSION < "4.0.0": def setSelection(self, symbolList): for idx in range(len(self.items)): self.items[idx].setSelected(Elements[idx][0] in symbolList) def testwidget(): def change(list): print("New selection:", list) a = qt.QApplication(sys.argv) a.lastWindowClosed.connect(a.quit) w = qt.QTabWidget() f = QPeriodicTable() o= qt.QWidget() ol= qt.QVBoxLayout(o) #ol.setAutoAdd(1) tlabel = qt.QLabel("QPeriodicCombo", o) ol.addWidget(tlabel) c = QPeriodicCombo(o) ol.addWidget(c) t = qt.QLabel("QPeriodicList", o) ol.addWidget(t) l = QPeriodicList(o) ol.addWidget(l) tab = qt.QTableWidget() tab.setRowCount(2) tab.setColumnCount(1) tab.setCellWidget(0, 0, QPeriodicCombo(tab, detailed=0)) tab.setCellWidget(1, 0, QPeriodicCombo(tab, detailed=0)) w.addTab(f, "QPeriodicTable") w.addTab(o, "QPeriodicList/Combo") w.addTab(tab, "QPeriodicComboTableItem") f.setSelection(['H', 'Fe', 'Si']) f.sigElementClicked.connect(f.elementToggle) l.sigSelectionChanged.connect(change) c.sigSelectionChanged.connect(change) w.show() a.exec_() if __name__ == "__main__": testwidget() �����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/physics/xrf/MaterialEditor.py������������������������������������������0000644�0002763�0000175�00000115266�13136054446�023260� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2016 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os import copy import numpy import traceback from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaPhysics import Elements from PyMca5.PyMcaGui import PlotWindow ScanWindow = PlotWindow.PlotWindow if hasattr(qt, "QString"): QString = qt.QString else: QString = str DEBUG = 0 class MaterialEditor(qt.QWidget): def __init__(self, parent=None, name="Material Editor", comments=True, height= 7, graph=None, toolmode=False): qt.QWidget.__init__(self, parent) self.setWindowTitle(name) if graph is None: self.graph = None self.graphDialog = None else: if isinstance(graph, qt.QDialog): self.graphDialog = graph self.graph = self.graphDialog.graph else: self.graphDialog = None self.graph = graph self.__toolMode = toolmode self.build(comments, height) def build(self,comments, height): a = [] for key in Elements.Material.keys(): a.append(key) a.sort() if self.__toolMode: layout = qt.QHBoxLayout(self) layout.setContentsMargins(0, 0, 0, 0) layout.setSpacing(0) else: layout = qt.QVBoxLayout(self) layout.setContentsMargins(0, 0, 0, 0) layout.setSpacing(0) self.__hboxMaterialCombo = qt.QWidget(self) hbox = self.__hboxMaterialCombo hboxlayout = qt.QHBoxLayout(hbox) hboxlayout.setContentsMargins(0, 0, 0, 0) hboxlayout.setSpacing(0) label = qt.QLabel(hbox) label.setText("Enter name of material to be defined:") self.matCombo = MaterialComboBox(hbox,options=a) hboxlayout.addWidget(label) hboxlayout.addWidget(self.matCombo) layout.addWidget(hbox) #self.matCombo.setEditable(True) self.matCombo.sigMaterialComboBoxSignal.connect( \ self._comboSlot) self.materialGUI = MaterialGUI(self, comments=comments, height=height, toolmode=self.__toolMode) self.materialGUI.sigMaterialTransmissionSignal.connect( \ self._transmissionSlot) self.materialGUI.sigMaterialMassAttenuationSignal.connect( \ self._massAttenuationSlot) if self.__toolMode: self.materialGUI.setCurrent(a[0]) if (self.graph is None): self.graph = ScanWindow(self, newplot=False, fit=False, plugins=False, control=True, position=True) self.graph._togglePointsSignal() self.graph.enableOwnSave(True) layout.addWidget(self.materialGUI) layout.addWidget(self.graph) else: self.materialGUI.setCurrent(a[0]) layout.addWidget(self.materialGUI) def importFile(self, filename): if not os.path.exists(filename): qt.QMessageBox.critical(self, "ERROR opening file", "File %s not found" % filename) return 1 Elements.Material.read(filename) error = 0 for material in list(Elements.Material.keys()): keys = list(Elements.Material[material].keys()) compoundList = [] if "CompoundList" in keys: compoundList = Elements.Material[material]["CompoundList"] if "CompoundFraction" in keys: compoundFraction = Elements.Material[material]["CompoundFraction"] if (compoundList == []) or (compoundFraction == []): #no message? error = 1 del Elements.Material[material] continue #I should try to calculate the attenuation at one energy ... try: Elements.getMaterialMassAttenuationCoefficients(compoundList, compoundFraction, energy = 10.0) except: #no message? error = 1 del Elements.Material[material] if DEBUG: raise continue return error def _comboSlot(self, ddict): self.materialGUI.setCurrent(ddict['text']) def _addGraphDialogButton(self): self.graphDialog.okButton = qt.QPushButton(self.graphDialog) self.graphDialog.okButton.setText('OK') self.graphDialog.okButton.setAutoDefault(True) self.graphDialog.mainLayout.addWidget(self.graphDialog.okButton) self.graphDialog.okButton.clicked.connect( \ self.graphDialog.accept) def _transmissionSlot(self, ddict): try: compoundList = ddict['CompoundList'] fractionList = ddict['CompoundFraction'] density = ddict['Density'] thickness = ddict.get('Thickness', 0.1) energy = numpy.arange(1, 100, 0.1) data=Elements.getMaterialTransmission(compoundList, fractionList, energy, density=density, thickness=thickness, listoutput=False) addButton = False if self.graph is None: self.graphDialog = qt.QDialog(self) self.graphDialog.mainLayout = qt.QVBoxLayout(self.graphDialog) self.graphDialog.mainLayout.setContentsMargins(0, 0, 0, 0) self.graphDialog.mainLayout.setSpacing(0) self.graph = ScanWindow.ScanWindow(self.graphDialog) self.graphDialog.mainLayout.addWidget(self.graph) self.graph._togglePointsSignal() self.graph.graph.crossPicker.setEnabled(False) addButton = True if addButton: self._addGraphDialogButton() if self.__toolMode: legend = ddict['Comment'] else: legend = str(self.matCombo.currentText()) +\ " with density = %f g/cm3" % density +\ " and thickness = %f cm" % thickness self.graph.addCurve(energy, data['transmission'], legend=legend, xlabel='Energy (keV)', ylabel='Transmission', replace=True) self.graph.setGraphTitle(ddict['Comment']) if self.graphDialog is not None: self.graphDialog.exec_() except: msg=qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setInformativeText(str(sys.exc_info()[1])) msg.setDetailedText(traceback.format_exc()) msg.exec_() def _massAttenuationSlot(self, ddict): try: compoundList = ddict['CompoundList'] fractionList = ddict['CompoundFraction'] energy = numpy.arange(1, 100, 0.1) data=Elements.getMaterialMassAttenuationCoefficients(compoundList, fractionList, energy) addButton = False if self.graph is None: self.graphDialog = qt.QDialog(self) self.graphDialog.mainLayout = qt.QVBoxLayout(self.graphDialog) self.graphDialog.mainLayout.setContentsMargins(0, 0, 0, 0) self.graphDialog.mainLayout.setSpacing(0) self.graph = ScanWindow.ScanWindow(self.graphDialog) self.graphDialog.mainLayout.addWidget(self.graph) self.graph._togglePointsSignal() self.graph.graph.crossPicker.setEnabled(False) addButton = True if addButton: self._addGraphDialogButton() self.graph.setGraphTitle(ddict['Comment']) legend = 'Coherent' self.graph.addCurve(energy, numpy.array(data[legend.lower()]), legend=legend, xlabel='Energy (keV)', ylabel='Mass Att. (cm2/g)', replace=True, replot=False) for legend in ['Compton', 'Photo','Total']: self.graph.addCurve(energy, numpy.array(data[legend.lower()]), legend=legend, xlabel='Energy (keV)', ylabel='Mass Att. (cm2/g)', replace=False, replot=False) self.graph.setActiveCurve(legend+' '+'Mass Att. (cm2/g)') self.graph.setGraphTitle(ddict['Comment']) if self.graphDialog is not None: self.graphDialog.exec_() except: msg=qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setInformativeText(str(sys.exc_info()[1])) msg.setDetailedText(traceback.format_exc()) msg.exec_() def closeEvent(self, event): if self.graph is not None: self.graph.close() qt.QWidget.closeEvent(self, event) class MaterialComboBox(qt.QComboBox): sigMaterialComboBoxSignal = qt.pyqtSignal(object) def __init__(self,parent = None,name = None,fl = 0, options=['1','2','3'],row=None,col=None): if row is None: row = 0 if col is None: col = 0 self.row = row self.col = col qt.QComboBox.__init__(self,parent) self.setOptions(options) self.ownValidator = MaterialValidator(self) self.setDuplicatesEnabled(False) self.setEditable(True) self._line = self.lineEdit() self.activated[str].connect(self._mySignal) self._line.editingFinished.connect(self._mySlot) def setCurrentText(self, qstring): qt.QComboBox.setEditText(self, qstring) def setOptions(self,options=['1','2','3']): self.clear() for item in options: self.addItem(item) def getCurrent(self): return self.currentItem(),str(self.currentText()) def _mySignal(self, qstring0): qstring = qstring0 text = str(qstring0) if text == '-': return (result, index) = self.ownValidator.validate(qstring,0) if result != self.ownValidator.Valid: qstring = self.ownValidator.fixup(qstring) (result, index) = self.ownValidator.validate(qstring,0) if result != self.ownValidator.Valid: text = str(qstring) if text.endswith(" "): msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Invalid Material Name '%s'\n" % text + \ "It ends with a space character.\n") msg.exec_() msg = qt.QMessageBox.No else: try: # this test is needed even if pyflakes complains float(text) msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Invalid Material Name %s\n" % text + \ "You cannot use a number as material name.\n" +\ "Hint: You can use _%s_" % text) msg.exec_() msg = qt.QMessageBox.No except: msg=qt.QMessageBox.information( self, "Invalid Material %s" % str(qstring), "The material %s is not a valid Formula " \ "nor a valid Material.\n" \ "Do you want to define the material %s\n" % \ (str(qstring), str(qstring)), qt.QMessageBox.Yes,qt.QMessageBox.No) if msg == qt.QMessageBox.No: self.setCurrentIndex(0) for i in range(self.count()): selftext = self.itemText(i) if selftext == qstring0: self.removeItem(i) return else: qstring = qstring0 text = str(qstring) if Elements.isValidFormula(text): msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Invalid Material Name %s\n" % text + \ "The material is a valid Formula.\n " \ "There is no need to define it.") msg.exec_() self.setCurrentIndex(0) for i in range(self.count()): selftext = self.itemText(i) if selftext == qstring0: self.removeItem(i) break return self.setCurrentText(text) ddict = {} ddict['event'] = 'activated' ddict['row'] = self.row ddict['col'] = self.col ddict['text'] = text if qstring0 != qstring: self.removeItem(self.count()-1) insert = True for i in range(self.count()): selftext = self.itemText(i) if qstring == selftext: insert = False if insert: self.insertItem(self.count(), qstring) self.sigMaterialComboBoxSignal.emit(ddict) def _mySlot(self): self._mySignal(self.currentText()) class MaterialValidator(qt.QValidator): def __init__(self, *var): qt.QValidator.__init__(self, *var) self.Valid = self.Acceptable def fixup(self, qstring): if qstring is None: return None text = str(qstring) key = Elements.getMaterialKey(text) if key is not None: return QString(key) else: return qstring def validate(self, qstring, pos): text = str(qstring) if text == '-': return (self.Valid, pos) try: # this test is needed even if pyflakes complains! float(text) return (self.Invalid, pos) except: pass if text.endswith(' '): return (self.Invalid, pos) if Elements.isValidFormula(text): return (self.Valid, pos) elif Elements.isValidMaterial(text): return (self.Valid, pos) else: return (self.Invalid,pos) class MaterialGUI(qt.QWidget): sigMaterialMassAttenuationSignal = qt.pyqtSignal(object) sigMaterialTransmissionSignal = qt.pyqtSignal(object) def __init__(self, parent=None, name="New Material",default={}, comments=True, height=10, toolmode=False): qt.QWidget.__init__(self, parent) self.setWindowTitle(name) self._default = default self._setCurrentDefault() for key in default.keys(): if key in self._current: self._current[key] = self._default[key] self.__lastRow = None self.__lastColumn = None self.__fillingValues = True self.__toolMode = toolmode if toolmode: self.buildToolMode(comments,height) else: self.build(comments,height) def _setCurrentDefault(self): self._current = {'Comment':"New Material", 'CompoundList':[], 'CompoundFraction':[1.0], 'Density':1.0, 'Thickness':1.0} def build(self,comments="True",height=3): layout = qt.QVBoxLayout(self) layout.setContentsMargins(0, 0, 0, 0) layout.setSpacing(0) self.__comments = comments commentsHBox = qt.QWidget(self) layout.addWidget(commentsHBox) commentsHBoxLayout = qt.QHBoxLayout(commentsHBox) commentsHBoxLayout.setContentsMargins(0, 0, 0, 0) commentsHBoxLayout.setSpacing(0) tableContainer = qt.QWidget(commentsHBox) commentsHBoxLayout.addWidget(tableContainer) tableContainerLayout = qt.QVBoxLayout(tableContainer) tableContainerLayout.setContentsMargins(0, 0, 0, 0) tableContainerLayout.setSpacing(0) self.__hboxTableContainer = qt.QWidget(tableContainer) hbox = self.__hboxTableContainer tableContainerLayout.addWidget(hbox) hboxLayout = qt.QHBoxLayout(hbox) hboxLayout.setContentsMargins(0, 0, 0, 0) hboxLayout.setSpacing(0) numberLabel = qt.QLabel(hbox) hboxLayout.addWidget(numberLabel) numberLabel.setText("Number of Compounds:") numberLabel.setAlignment(qt.Qt.AlignVCenter) self.__numberSpin = qt.QSpinBox(hbox) hboxLayout.addWidget(self.__numberSpin) self.__numberSpin.setMinimum(1) self.__numberSpin.setMaximum(100) self.__numberSpin.setValue(1) self.__table = qt.QTableWidget(tableContainer) self.__table.setRowCount(1) self.__table.setColumnCount(2) tableContainerLayout.addWidget(self.__table) self.__table.setMinimumHeight((height)*self.__table.horizontalHeader().sizeHint().height()) self.__table.setMaximumHeight((height)*self.__table.horizontalHeader().sizeHint().height()) self.__table.setMinimumWidth(1*self.__table.sizeHint().width()) self.__table.setMaximumWidth(1*self.__table.sizeHint().width()) #self.__table.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Fixed,qt.QSizePolicy.Fixed)) labels = ["Material", "Mass Fraction"] for i in range(len(labels)): item = self.__table.horizontalHeaderItem(i) if item is None: item = qt.QTableWidgetItem(labels[i],qt.QTableWidgetItem.Type) self.__table.setHorizontalHeaderItem(i,item) self.__table.setSelectionMode(qt.QTableWidget.NoSelection) if self.__comments: vbox = qt.QWidget(commentsHBox) commentsHBoxLayout.addWidget(vbox) vboxLayout = qt.QVBoxLayout(vbox) #default thickness and density self.__gridVBox = qt.QWidget(vbox) grid = self.__gridVBox vboxLayout.addWidget(grid) gridLayout = qt.QGridLayout(grid) gridLayout.setContentsMargins(11, 11, 11, 11) gridLayout.setSpacing(4) densityLabel = qt.QLabel(grid) gridLayout.addWidget(densityLabel, 0, 0) densityLabel.setText("Default Density (g/cm3):") densityLabel.setAlignment(qt.Qt.AlignVCenter) self.__densityLine = qt.QLineEdit(grid) validator = qt.QDoubleValidator(self.__densityLine) self.__densityLine.setValidator(validator) self.__densityLine.setReadOnly(False) gridLayout.addWidget(self.__densityLine, 0, 1) thicknessLabel = qt.QLabel(grid) gridLayout.addWidget(thicknessLabel, 1, 0) thicknessLabel.setText("Default Thickness (cm):") thicknessLabel.setAlignment(qt.Qt.AlignVCenter) self.__thicknessLine = qt.QLineEdit(grid) validator = qt.QDoubleValidator(self.__thicknessLine) self.__thicknessLine.setValidator(validator) gridLayout.addWidget(self.__thicknessLine, 1, 1) self.__thicknessLine.setReadOnly(False) self.__densityLine.editingFinished[()].connect( \ self.__densitySlot) self.__thicknessLine.editingFinished[()].connect( \ self.__thicknessSlot) self.__transmissionButton = qt.QPushButton(grid) self.__transmissionButton.setText('Material Transmission') gridLayout.addWidget(self.__transmissionButton, 2, 0) self.__massAttButton = qt.QPushButton(grid) self.__massAttButton.setText('Mass Att. Coefficients') gridLayout.addWidget(self.__massAttButton, 2, 1) self.__transmissionButton.setAutoDefault(False) self.__massAttButton.setAutoDefault(False) self.__transmissionButton.clicked.connect( self.__transmissionSlot) self.__massAttButton.clicked.connect( self.__massAttSlot) vboxLayout.addWidget(qt.VerticalSpacer(vbox)) if self.__comments: #comment nameHBox = qt.QWidget(self) nameHBoxLayout = qt.QHBoxLayout(nameHBox) nameLabel = qt.QLabel(nameHBox) nameHBoxLayout.addWidget(nameLabel) nameLabel.setText("Material Name/Comment:") nameLabel.setAlignment(qt.Qt.AlignVCenter) nameHBoxLayout.addWidget(qt.HorizontalSpacer(nameHBox)) self.__nameLine = qt.QLineEdit(nameHBox) self.__nameLine.editingFinished[()].connect(self.__nameLineSlot) nameHBoxLayout.addWidget(self.__nameLine) self.__nameLine.setReadOnly(False) longtext="En un lugar de La Mancha, de cuyo nombre no quiero acordarme ..." self.__nameLine.setFixedWidth(self.__nameLine.fontMetrics().width(longtext)) layout.addWidget(nameHBox) self.__numberSpin.valueChanged[int].connect(self.__numberSpinChanged) self.__table.cellChanged[int,int].connect(self.__tableSlot) self.__table.cellEntered[int,int].connect(self.__tableSlot2) def buildToolMode(self, comments="True",height=3): layout = qt.QVBoxLayout(self) layout.setContentsMargins(0, 0, 0, 0) layout.setSpacing(0) self.__comments = comments grid = qt.QWidget(self) gridLayout = qt.QGridLayout(grid) gridLayout.setContentsMargins(11, 11, 11, 11) gridLayout.setSpacing(4) numberLabel = qt.QLabel(grid) numberLabel.setText("Number of Compounds:") numberLabel.setAlignment(qt.Qt.AlignVCenter) self.__numberSpin = qt.QSpinBox(grid) self.__numberSpin.setMinimum(1) self.__numberSpin.setMaximum(30) self.__numberSpin.setValue(1) tableContainer = qt.QWidget(self) tableContainerLayout = qt.QVBoxLayout(tableContainer) tableContainerLayout.setContentsMargins(0, 0, 0, 0) tableContainerLayout.setSpacing(0) self.__tableContainer = tableContainer self.__table = qt.QTableWidget(tableContainer) self.__table.setRowCount(1) self.__table.setColumnCount(2) tableContainerLayout.addWidget(self.__table) self.__table.setMinimumHeight((height)*self.__table.horizontalHeader().sizeHint().height()) self.__table.setMaximumHeight((height)*self.__table.horizontalHeader().sizeHint().height()) self.__table.setMinimumWidth(1*self.__table.sizeHint().width()) self.__table.setMaximumWidth(1*self.__table.sizeHint().width()) labels = ["Material", "Mass Fraction"] for i in range(len(labels)): item = self.__table.horizontalHeaderItem(i) if item is None: item = qt.QTableWidgetItem(labels[i],qt.QTableWidgetItem.Type) self.__table.setHorizontalHeaderItem(i,item) self.__table.setSelectionMode(qt.QTableWidget.NoSelection) densityLabel = qt.QLabel(grid) densityLabel.setText("Density (g/cm3):") densityLabel.setAlignment(qt.Qt.AlignVCenter) self.__densityLine = qt.QLineEdit(grid) self.__densityLine.setText("1.0") validator = qt.QDoubleValidator(self.__densityLine) self.__densityLine.setValidator(validator) self.__densityLine.setReadOnly(False) thicknessLabel = qt.QLabel(grid) thicknessLabel.setText("Thickness (cm):") thicknessLabel.setAlignment(qt.Qt.AlignVCenter) self.__thicknessLine = qt.QLineEdit(grid) self.__thicknessLine.setText("0.1") validator = qt.QDoubleValidator(self.__thicknessLine) self.__thicknessLine.setValidator(validator) self.__thicknessLine.setReadOnly(False) self.__transmissionButton = qt.QPushButton(grid) self.__transmissionButton.setText('Material Transmission') self.__massAttButton = qt.QPushButton(grid) self.__massAttButton.setText('Mass Att. Coefficients') self.__transmissionButton.setAutoDefault(False) self.__massAttButton.setAutoDefault(False) nameHBox = qt.QWidget(grid) nameHBoxLayout = qt.QHBoxLayout(nameHBox) nameHBoxLayout.setContentsMargins(0, 0, 0, 0) nameHBoxLayout.setSpacing(0) nameLabel = qt.QLabel(nameHBox) nameLabel.setText("Name:") nameLabel.setAlignment(qt.Qt.AlignVCenter) self.__nameLine = qt.QLineEdit(nameHBox) self.__nameLine.setReadOnly(False) if self.__toolMode: toolTip = "Type your material name and press the ENTER key.\n" toolTip += "Fitting materials cannot be defined or redefined here.\n" toolTip += "Use the material editor of the advanced fit for it.\n" self.__nameLine.setToolTip(toolTip) nameHBoxLayout.addWidget(nameLabel) nameHBoxLayout.addWidget(self.__nameLine) gridLayout.addWidget(nameHBox, 0, 0, 1, 2) gridLayout.addWidget(numberLabel, 1, 0) gridLayout.addWidget(self.__numberSpin, 1, 1) gridLayout.addWidget(self.__tableContainer, 2, 0, 1, 2) gridLayout.addWidget(densityLabel, 3, 0) gridLayout.addWidget(self.__densityLine, 3, 1) gridLayout.addWidget(thicknessLabel, 4, 0) gridLayout.addWidget(self.__thicknessLine, 4, 1) gridLayout.addWidget(self.__transmissionButton, 5, 0) gridLayout.addWidget(self.__massAttButton, 5, 1) layout.addWidget(grid) layout.addWidget(qt.VerticalSpacer(self)) #build all the connections self.__nameLine.editingFinished[()].connect(self.__nameLineSlot) self.__numberSpin.valueChanged[int].connect(self.__numberSpinChanged) self.__table.cellChanged[int,int].connect(self.__tableSlot) self.__table.cellEntered[int,int].connect(self.__tableSlot2) self.__densityLine.editingFinished[()].connect( self.__densitySlot) self.__thicknessLine.editingFinished[()].connect(self.__thicknessSlot) self.__transmissionButton.clicked.connect(self.__transmissionSlot) self.__massAttButton.clicked.connect(self.__massAttSlot) def setCurrent(self, matkey0): if DEBUG:"setCurrent(self, matkey0) ", matkey0 matkey = Elements.getMaterialKey(matkey0) if matkey is not None: if self.__toolMode: #make sure the material CANNOT be modified self._current = copy.deepcopy(Elements.Material[matkey]) if self.__table.isEnabled(): self.__disableInput() else: self._current = Elements.Material[matkey] else: self._setCurrentDefault() if not self.__toolMode: Elements.Material[matkey0] = self._current self.__numberSpin.setFocus() try: self._fillValues() self._updateCurrent() finally: if self.__toolMode: self.__nameLine.setText("%s" % matkey) self.__fillingValues = False def _fillValues(self): if DEBUG: print("fillValues(self)") self.__fillingValues = True if self.__comments: self.__nameLine.setText("%s" % self._current['Comment']) try: self.__densityLine.setText("%.5g" % self._current['Density']) except: self.__densityLine.setText("") if 'Thickness' in self._current.keys(): try: self.__thicknessLine.setText("%.5g" % self._current['Thickness']) except: self.__thicknessLine.setText("") if type(self._current['CompoundList']) != type([]): self._current['CompoundList'] = [self._current['CompoundList']] if type(self._current['CompoundFraction']) != type([]): self._current['CompoundFraction'] = [self._current['CompoundFraction']] self.__numberSpin.setValue(max(len(self._current['CompoundList']),1)) row = 0 for compound in self._current['CompoundList']: item = self.__table.item(row,0) if item is None: item = qt.QTableWidgetItem(compound,qt.QTableWidgetItem.Type) self.__table.setItem(row,0,item) else: item.setText(compound) item = self.__table.item(row,1) if item is None: item = qt.QTableWidgetItem("%.5g" % self._current['CompoundFraction'][row], qt.QTableWidgetItem.Type) self.__table.setItem(row,1,item) else: item.setText("%.5g" % self._current['CompoundFraction'][row]) row += 1 self.__fillingValues = False # http://bugs.debian.org/cgi-bin/bugreport.cgi?bug=666503 def _updateCurrent(self): if DEBUG: print("updateCurrent(self)") print("self._current before = ", self._current) self._current['CompoundList'] = [] self._current['CompoundFraction'] = [] for i in range(self.__table.rowCount()): item = self.__table.item(i, 0) if item is None: item = qt.QTableWidgetItem("", qt.QTableWidgetItem.Type) txt0 = str(item.text()) item = self.__table.item(i, 1) if item is None: item = qt.QTableWidgetItem("", qt.QTableWidgetItem.Type) txt1 = str(item.text()) if (len(txt0) > 0) and (len(txt1) > 0): self._current['CompoundList'].append(txt0) self._current['CompoundFraction'].append(float(txt1)) self.__densitySlot(silent=True) self.__thicknessSlot(silent=True) if DEBUG: print("self._current after = ", self._current) def __densitySlot(self, silent=False): try: qstring = self.__densityLine.text() text = str(qstring) if len(text): value = float(str(qstring)) self._current['Density'] = value except: if silent: return msg=qt.QMessageBox(self.__densityLine) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Invalid Float") msg.exec_() self.__densityLine.setFocus() def __thicknessSlot(self, silent=False): try: qstring = self.__thicknessLine.text() text = str(qstring) if len(text): value = float(text) self._current['Thickness'] = value except: if silent: return msg=qt.QMessageBox(self.__thicknessLine) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Invalid Float") msg.exec_() self.__thicknessLine.setFocus() def __transmissionSlot(self): ddict = {} ddict.update(self._current) ddict['event'] = 'MaterialTransmission' self.sigMaterialTransmissionSignal.emit(ddict) def __massAttSlot(self): ddict = {} ddict.update(self._current) ddict['event'] = 'MaterialMassAttenuation' self.sigMaterialMassAttenuationSignal.emit(ddict) def __nameLineSlot(self): if DEBUG: print("__nameLineSlot(self)") qstring = self.__nameLine.text() text = str(qstring) if self.__toolMode: if len(text): matkey = Elements.getMaterialKey(text) if matkey is not None: self.setCurrent(matkey) #Disable everything self.__disableInput() elif text in Elements.ElementList: self.__disableInput() name = Elements.Element[text]['name'] self._current['Comment'] = name[0].upper() + name[1:] self._current['CompoundList'] = [text+"1"] self._current['CompoundFraction'] = [1.0] self._current['Density'] = Elements.Element[text]['density'] self._fillValues() self._updateCurrent() self.__nameLine.setText("%s" % text) else: self._current['Comment'] = text self.__numberSpin.setEnabled(True) self.__table.setEnabled(True) self.__densityLine.setEnabled(True) self.__thicknessLine.setEnabled(True) else: self._current['Comment'] = text def __disableInput(self): self.__numberSpin.setEnabled(False) self.__table.setEnabled(False) self.__densityLine.setEnabled(False) self.__thicknessLine.setEnabled(True) def __numberSpinChanged(self,value): #size = self.__table.size() self.__table.setRowCount(value) rheight = self.__table.horizontalHeader().sizeHint().height() nrows = self.__table.rowCount() for idx in range(nrows): self.__table.setRowHeight(idx, rheight) if len(self._current['CompoundList']) > value: self._current['CompoundList'] = self._current['CompoundList'][0:value] if len(self._current['CompoundFraction']) > value: self._current['CompoundFraction'] = self._current['CompoundFraction'][0:value] def __tableSlot(self,row, col): if self.__fillingValues: return item = self.__table.item(row, col) if item is not None: if DEBUG: print("table item is None") qstring = item.text() else: qstring = "" if col == 0: compound = str(qstring) if Elements.isValidFormula(compound): pass else: matkey = Elements.getMaterialKey(compound) if matkey is not None: item.setText(matkey) else: msg=qt.QMessageBox(self.__table) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Invalid Formula %s" % compound) msg.exec_() self.__table.setCurrentCell(row, col) return else: try: float(str(qstring)) except: msg=qt.QMessageBox(self.__table) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Invalid Float") msg.exec_() self.__table.setCurrentCell(row, col) return self._updateCurrent() def __tableSlot2(self,row, col): if self.__fillingValues:return if self.__lastRow is None: self.__lastRow = row if self.__lastColumn is None: self.__lastColumn = col item = self.__table.item(self.__lastRow, self.__lastColumn) if item is None: item = qt.QTableWidgetItem("",qt.QTableWidgetItem.Type) self.__table.setItem(self.__lastRow, self.__lastColumn, item) qstring = item.text() if self.__lastColumn == 0: compound = str(qstring) if Elements.isValidFormula(compound): pass else: matkey = Elements.getMaterialKey(compound) if matkey is not None: item = self.__table.item(self.__lastRow, self.__lastColumn) if item is None: item = qt.QTableWidgetItem(matkey, qt.QTableWidgetItem.Type) self.__table.setItem(self.__lastRow, self.__lastColumn, item) else: item.setText(matkey) else: msg=qt.QMessageBox(self.__table) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Invalid Formula %s" % compound) msg.exec_() self.__table.setCurrentCell(self.__lastRow, self.__lastColumn) return else: try: float(str(qstring)) except: msg=qt.QMessageBox(self.__table) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Invalid Float") msg.exec_() self.__table.setCurrentCell(self.__lastRow, self.__lastColumn) return self._updateCurrent() if __name__ == "__main__": app = qt.QApplication([]) app.lastWindowClosed.connect(app.quit) if len(sys.argv) > 1: demo = MaterialEditor(toolmode=True) else: demo = MaterialEditor(toolmode=False) demo.show() app.exec_() ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/physics/xrf/MatrixEditor.py��������������������������������������������0000644�0002763�0000175�00000033011�13136054446�022751� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import copy from PyMca5.PyMcaGui import PyMcaQt as qt from . import MaterialEditor from . import MatrixImage QTVERSION = qt.qVersion() class MatrixEditor(qt.QWidget): def __init__(self, parent=None, name="Matrix Editor",current=None, table=True,orientation="vertical",thickness=True, density=True, size=None): qt.QWidget.__init__(self, parent) self.setWindowTitle(name) self._current={'Density': 1.0, 'Thickness': 1.0, 'AlphaIn': 45.0, 'AlphaOut': 45.0, 'AlphaScatteringFlag':False, 'AlphaScattering': 90, 'Material': "Water"} if current is not None: self._current.update(current) self.build(table,orientation, thickness, density, size) self._update() def build(self, table,orientation, thickness, density, size=None): if size is None: size="medium" layout = qt.QHBoxLayout(self) if table: #the material definition matBox = qt.QWidget(self) layout.addWidget(matBox) matBoxLayout = qt.QVBoxLayout(matBox) self.materialEditor = MaterialEditor.MaterialEditor(matBox, comments=False, height=7) matBoxLayout.addWidget(self.materialEditor) matBoxLayout.addWidget(qt.VerticalSpacer(matBox)) else: self.materialEditor = None #the matrix definition sampleBox = qt.QWidget(self) layout.addWidget(sampleBox) if orientation == "vertical": sampleBoxLayout = qt.QVBoxLayout(sampleBox) else: sampleBoxLayout = qt.QHBoxLayout(sampleBox) #the image if orientation == "vertical": labelHBox = qt.QWidget(sampleBox) sampleBoxLayout.addWidget(labelHBox) labelHBoxLayout = qt.QHBoxLayout(labelHBox) labelHBoxLayout.addWidget(qt.HorizontalSpacer(labelHBox)) label = MatrixImage.MatrixImage(labelHBox,size=size) labelHBoxLayout.addWidget(label) labelHBoxLayout.addWidget(qt.HorizontalSpacer(labelHBox)) else: labelHBox = qt.QWidget(sampleBox) sampleBoxLayout.addWidget(labelHBox) labelHBoxLayout = qt.QVBoxLayout(labelHBox) labelHBoxLayout.setContentsMargins(0, 0, 0, 0) labelHBoxLayout.setSpacing(4) label = MatrixImage.MatrixImage(labelHBox,size=size) labelHBoxLayout.addWidget(label) if orientation != "vertical": labelHBoxLayout.addWidget(qt.VerticalSpacer(labelHBox)) self.imageLabel = label #the input fields container self.__gridSampleBox = qt.QWidget(sampleBox) grid = self.__gridSampleBox sampleBoxLayout.addWidget(grid) if QTVERSION < '4.0.0': gridLayout=qt.QGridLayout(grid,6,2,11,4) else: gridLayout = qt.QGridLayout(grid) gridLayout.setContentsMargins(11, 11, 11, 11) gridLayout.setSpacing(4) #the angles angle1Label = qt.QLabel(grid) angle1Label.setText("Incoming Angle (deg.):") self.__angle1Line = MyQLineEdit(grid) self.__angle1Line.setReadOnly(False) angle2Label = qt.QLabel(grid) angle2Label.setText("Outgoing Angle (deg.):") self.__angle2Line = MyQLineEdit(grid) self.__angle2Line.setReadOnly(False) self.__angle3Label = qt.QCheckBox(grid) self.__angle3Label.setText("Scattering Angle (deg.):") self.__angle3Line = MyQLineEdit(grid) self.__angle3Line.setReadOnly(False) self.__angle3Line.setDisabled(True) if QTVERSION < '4.0.0': angle1Label.setAlignment(qt.QLabel.WordBreak | \ qt.QLabel.AlignVCenter) angle2Label.setAlignment(qt.QLabel.WordBreak | \ qt.QLabel.AlignVCenter) else: angle1Label.setAlignment(qt.Qt.AlignVCenter) angle2Label.setAlignment(qt.Qt.AlignVCenter) self.__angle3Label.setChecked(0) gridLayout.addWidget(angle1Label, 0, 0) gridLayout.addWidget(self.__angle1Line, 0, 1) gridLayout.addWidget(angle2Label, 1, 0) gridLayout.addWidget(self.__angle2Line, 1, 1) gridLayout.addWidget(self.__angle3Label, 2, 0) gridLayout.addWidget(self.__angle3Line, 2, 1) rowoffset = 3 #thickness and density if density: densityLabel = qt.QLabel(grid) densityLabel.setText("Sample Density (g/cm3):") if QTVERSION < '4.0.0': densityLabel.setAlignment(qt.QLabel.WordBreak | \ qt.QLabel.AlignVCenter) else: densityLabel.setAlignment(qt.Qt.AlignVCenter) self.__densityLine = MyQLineEdit(grid) self.__densityLine.setReadOnly(False) gridLayout.addWidget(densityLabel, rowoffset, 0) gridLayout.addWidget(self.__densityLine, rowoffset, 1) rowoffset = rowoffset + 1 else: self.__densityLine = None if thickness: thicknessLabel = qt.QLabel(grid) thicknessLabel.setText("Sample Thickness (cm):") if QTVERSION < '4.0.0': thicknessLabel.setAlignment(qt.QLabel.WordBreak | \ qt.QLabel.AlignVCenter) else: thicknessLabel.setAlignment(qt.Qt.AlignVCenter) self.__thicknessLine = MyQLineEdit(grid) self.__thicknessLine.setReadOnly(False) gridLayout.addWidget(thicknessLabel, rowoffset, 0) gridLayout.addWidget(self.__thicknessLine, rowoffset, 1) rowoffset = rowoffset + 1 else: self.__thicknessLine = None gridLayout.addWidget(qt.VerticalSpacer(grid), rowoffset, 0) gridLayout.addWidget(qt.VerticalSpacer(grid), rowoffset, 1) self.__angle1Line.sigMyQLineEditSignal.connect(self.__angle1Slot) self.__angle2Line.sigMyQLineEditSignal.connect(self.__angle2Slot) self.__angle3Line.sigMyQLineEditSignal.connect(self.__angle3Slot) if self.__densityLine is not None: self.__densityLine.sigMyQLineEditSignal.connect(self.__densitySlot) if self.__thicknessLine is not None: self.__thicknessLine.sigMyQLineEditSignal.connect(self.__thicknessSlot) self.__angle3Label.clicked.connect(self.__angle3LabelSlot) if orientation == "vertical": sampleBoxLayout.addWidget(qt.VerticalSpacer(sampleBox)) def setParameters(self, param): for key in param.keys(): self._current[key] = param[key] self._update() def getParameters(self, param = None): if param is None: return copy.deepcopy(self._current) elif param in self._current.keys(): return self._current[param] else: raise KeyError("%s" % param) return def _update(self): if self.materialEditor is not None: self.materialEditor.materialGUI.setCurrent(self._current['Material']) self.__angle1Line.setText("%.5g" % self._current['AlphaIn']) self.__updateImage() self.__angle2Line.setText("%.5g" % self._current['AlphaOut']) if self._current['AlphaScatteringFlag']: self.__angle3Label.setChecked(1) self.__angle3Line.setEnabled(True) self.__angle3Line.setText("%.5g" % self._current['AlphaScattering']) else: self.__angle3Label.setChecked(False) self.__angle3LabelSlot() if self.__densityLine is not None: self.__densityLine.setText("%.5g" % self._current['Density']) if self.__thicknessLine is not None: self.__thicknessLine.setText("%.5g" % self._current['Thickness']) def __angle1Slot(self, ddict): if (ddict['value'] < -90.) or (ddict['value'] > 90.): msg=qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Incident beam angle has to be in the range [-90, 90]") if QTVERSION < '4.0.0': msg.exec_loop() else: msg.setWindowTitle("Angle Error") msg.exec_() self.__angle1Line.setFocus() return doit = False if self._current['AlphaIn'] > 0: if ddict['value'] < 0: doit = True elif self._current['AlphaIn'] < 0: if ddict['value'] > 0: doit = True self._current['AlphaIn'] = ddict['value'] if doit: self.__updateImage() self.__updateScattering() def __updateImage(self): if self._current['AlphaIn'] < 0: self.imageLabel.setPixmap("image2trans") else: self.imageLabel.setPixmap("image2") def __angle2Slot(self, ddict): if (ddict['value'] <= 0.0) or (ddict['value'] > 180.): msg=qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Fluorescent beam angle has to be in the range ]0, 180[") if QTVERSION < '4.0.0': msg.exec_loop() else: msg.setWindowTitle("Angle Error") msg.exec_() self.__angle2Line.setFocus() return self._current['AlphaOut'] = ddict['value'] self.__updateScattering() def __angle3Slot(self, ddict): self._current['AlphaScattering'] = ddict['value'] def __angle3LabelSlot(self): if self.__angle3Label.isChecked(): self._current['AlphaScatteringFlag'] = 1 self.__angle3Line.setEnabled(True) else: self._current['AlphaScatteringFlag'] = 0 self.__angle3Line.setEnabled(False) self.__updateScattering() def __updateScattering(self): if not self.__angle3Label.isChecked(): self._current['AlphaScattering'] = self._current['AlphaIn'] +\ self._current['AlphaOut'] self.__angle3Line.setText("%.5g" % self._current['AlphaScattering']) def __thicknessSlot(self, ddict): self._current['Thickness'] = ddict['value'] def __densitySlot(self, ddict): self._current['Density'] = ddict['value'] class MyQLineEdit(qt.QLineEdit): sigMyQLineEditSignal = qt.pyqtSignal(object) def __init__(self,parent=None,name=None): qt.QLineEdit.__init__(self,parent) self.editingFinished.connect(self.__mySlot) if QTVERSION < '4.0.0': def focusInEvent(self,event): self.backgroundcolor = self.paletteBackgroundColor() self.setPaletteBackgroundColor(qt.QColor('yellow')) def focusOutEvent(self,event): self.setPaletteBackgroundColor(qt.QColor('white')) self.__mySlot() def setPaletteBackgroundColor(self, color): qt.QLineEdit.setPaletteBackgroundColor(self, color) def __mySlot(self): qstring = self.text() text = str(qstring) try: if len(text): value = float(str(qstring)) ddict={} ddict['event'] = 'returnPressed' ddict['value'] = value ddict['text'] = text ddict['qstring'] = qstring self.sigMyQLineEditSignal.emit(ddict) except: msg=qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Invalid Float") msg.exec_() self.setFocus() if __name__ == "__main__": app = qt.QApplication([]) app.lastWindowClosed[()].connect(app.quit) #demo = MatrixEditor(table=False, orientation="horizontal") demo = MatrixEditor(table=True, orientation="vertical") demo.show() app.exec_() �����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/physics/xrf/__init__.py������������������������������������������������0000644�0002763�0000175�00000000000�13136054446�022065� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/physics/xrf/StrategyHandler.py�����������������������������������������0000644�0002763�0000175�00000066060�13136054446�023450� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2017 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import copy from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaGui import PyMcaFileDialogs from PyMca5.PyMcaPhysics import Elements from PyMca5.PyMcaGui import PyMca_Icons from PyMca5.PyMcaIO import ConfigDict from .MaterialEditor import MaterialComboBox IconDict = PyMca_Icons.IconDict QTVERSION = qt.qVersion() DEBUG = 0 def _getPeakList(fitConfiguration): elementsList = [] for element in fitConfiguration['peaks']: if len(element) > 1: ele = element[0:1].upper() + element[1:2].lower() else: ele = element.upper() if type(fitConfiguration['peaks'][element]) == type([]): for peak in fitConfiguration['peaks'][element]: elementsList.append(ele + " " + peak) else: for peak in [fitConfiguration['peaks'][element]]: elementsList.append(ele + " " + peak) elementsList.sort() return elementsList def _getMatrixDescription(fitConfiguration): useMatrix = False detector = None for attenuator in list(fitConfiguration['attenuators'].keys()): if not fitConfiguration['attenuators'][attenuator][0]: # set to be ignored continue if attenuator.upper() == "MATRIX": if fitConfiguration['attenuators'][attenuator][0]: useMatrix = True matrix = fitConfiguration['attenuators'][attenuator][1:4] alphaIn= fitConfiguration['attenuators'][attenuator][4] alphaOut= fitConfiguration['attenuators'][attenuator][5] else: useMatrix = False break if not useMatrix: raise ValueError("Sample matrix has to be specified!") if matrix[0].upper() == "MULTILAYER": multilayerSample = {} layerKeys = list(fitConfiguration['multilayer'].keys()) if len(layerKeys): layerKeys.sort() for layer in layerKeys: if fitConfiguration['multilayer'][layer][0]: multilayerSample[layer] = \ fitConfiguration['multilayer'][layer][1:] else: multilayerSample = {"Auto":matrix} return multilayerSample class StrategyHandlerWidget(qt.QWidget): sigStrategyHandlerSignal = qt.pyqtSignal(object) def __init__(self, parent=None, name="Single Layer Matrix Iteration Strategy"): qt.QWidget.__init__(self, parent) self._fitConfiguration = None self.setWindowTitle(name) self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(0) self._descriptionButton = qt.QPushButton(self) self._descriptionButton.setText("Hide algorithm description") self._descriptionButton.setAutoDefault(False) self._descriptionButton.clicked.connect(self.toggleDescription) self._descriptionWidget = qt.QTextEdit(self) self._description = qt.QTextDocument() self.mainLayout.addWidget(self._descriptionButton) self.mainLayout.addWidget(self._descriptionWidget) self.build() def toggleDescription(self): if self._descriptionButton.text().startswith("Hide"): self._descriptionWidget.hide() self._descriptionButton.setText("Show algorithm description") else: self._descriptionWidget.show() self._descriptionButton.setText("Hide algorithm description") def setDescription(self, txt): self._description.setPlainText(txt) self._descriptionWidget.setDocument(self._description) def build(self): self.strategy = {} self.strategy["SingleLayerStrategy"] = SingleLayerStrategyWidget(self) currentStrategy = self.strategy["SingleLayerStrategy"] self.setDescription(currentStrategy.getDescription()) self.mainLayout.addWidget(currentStrategy) def setFitConfiguration(self, fitConfiguration): self._fitConfiguration = copy.deepcopy(fitConfiguration) strategy = self._fitConfiguration["fit"].get("strategy", "SingleLayerStrategy") self.strategy[strategy].setFitConfiguration(self._fitConfiguration) def getParameters(self): if self._fitConfiguration is None: return {} strategy = self._fitConfiguration["fit"].get("strategy", "SingleLayerStrategy") return {strategy:self.strategy[strategy].getParameters()} def setParameters(self, ddict): # this is used to use the current fit configuration but with other strategy configuration # from other file if self._fitConfiguration is None: return strategy = self._fitConfiguration["fit"].get("strategy", "SingleLayerStrategy") if strategy in ddict: return self.strategy[strategy].setParameters(ddict[strategy]) class SingleLayerStrategyWidget(qt.QWidget): def __init__(self, parent=None, name="Single Layer Matrix Iteration Strategy"): qt.QWidget.__init__(self, parent) self.setWindowTitle(name) self.build() def getDescription(self): txt = "WARNING: Not recommended for use with internal standard if the " txt += "internal standard is present in the refining layer. You will " txt += "get better results working in fundamental parameters mode.\n" txt += "This matrix iteration procedure is implemented as follows:\n" txt += "The concentration of the elements selected to be updated, will " txt += "be incorporated in the matrix in the specified form.\n" txt += "If the sum of the mass fractions of those elements is above 1 " txt += "the program will normalize as usual.\n" txt += "If the sum of the mass fractions is below 1, the same procedure " txt += "will be applied unless the user has chosen a completing material.\n" txt += "Limitations of the algorithm:\n" txt += "- The incorporated elements cannot be on different layers.\n" txt += "- One element cannot be selected more than once.\n" txt += "Recommendations:\n" txt += "- In order to avoid unnecessarily slow setups, " txt += "activate this option and any secondary or tertiary excitation " txt += "calculation once you are ready for quantification." return txt def build(self): self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(0) label = qt.QLabel("Number of matrix iterations to perfom:") self._nIterations = qt.QSpinBox(self) self._nIterations.setMinimum(1) self._nIterations.setMaximum(5) self._nIterations.setValue(3) self.mainLayout.addWidget(label, 0, 0) self.mainLayout.addWidget(qt.HorizontalSpacer(self), 1, 0) self.mainLayout.addWidget(self._nIterations, 0, 2) label = qt.QLabel("Layer in wich the algorithm is to be applied:") self._layerOptions = qt.QComboBox(self) self._layerOptions.addItem("Auto") self.mainLayout.addWidget(label, 1, 0) #self.mainLayout.addWidget(qt.HorizontalSpacer(self), 1, 0) self.mainLayout.addWidget(self._layerOptions, 1, 2) label = qt.QLabel("Completing material to be used:") materialList = list(Elements.Material.keys()) materialList.sort() a = ["-"] for key in materialList: a.append(key) self._materialOptions = MyQComboBox(self, options=a) self._materialOptions.addItem("-") self.mainLayout.addWidget(label, 2, 0) self.mainLayout.addWidget(self._materialOptions, 2, 2) self._table = IterationTable(self) self.mainLayout.addWidget(self._table, 3, 0, 5, 5) self.mainLayout.addWidget(qt.VerticalSpacer(self), 10, 0) def setFitConfiguration(self, fitConfiguration): # obtain the peak families fitted _peakList = _getPeakList(fitConfiguration) if not len(_peakList): raise ValueError("No peaks to fit!!!!") matrixDescription = _getMatrixDescription(fitConfiguration) layerList = list(matrixDescription.keys()) layerList.sort() materialList = list(Elements.Material.keys()) materialList.sort() a = ["-"] for key in materialList: a.append(key) # Material options self._materialOptions.setOptions(a) self._table.setMaterialOptions(a) # If only one layer, all the elements are selectable layerPeaks = {} if len(layerList) == 1: layerPeaks[layerList[0]] = _peakList else: inAllLayers = [] toDeleteFromAllLayers = [] toForgetAbout = [] for layer in layerList: layerPeaks[layer] = [] for peak in _peakList: element = peak.split()[0] layersPresent = [] for layer in layerList: material = matrixDescription[layer][0] if element in Elements.getMaterialMassFractions(\ [material], [1.0]).keys(): layersPresent.append(layer) if len(layersPresent) == 1: layerPeaks[layersPresent[0]].append(peak) oldOption = qt.safe_str(self._layerOptions.currentText()) self._layerOptions.clear() for item in layerList: self._layerOptions.addItem(item) self._layerList = layerList if oldOption not in layerList: oldOption = layerList[0] self._layerOptions.setCurrentIndex(layerList.index(oldOption)) self._layerList = layerList self._layerPeaks = layerPeaks self._table.setLayerPeakFamilies(layerPeaks[oldOption]) strategy = fitConfiguration["fit"].get("strategy", "SingleLayerStrategy") if strategy in fitConfiguration: self.setParameters(fitConfiguration["SingleLayerStrategy"]) def getParameters(self): ddict = self._table.getParameters() ddict["layer"] = str(self._layerOptions.currentText()) ddict["iterations"] = self._nIterations.value() ddict["completer"] = str(self._materialOptions.currentText()) return ddict def setParameters(self, ddict): layer = ddict.get("layer", "Auto") if layer not in self._layerList: if layer.upper() != "AUTO": raise ValueError("Layer %s not among fitted layers" % layer) else: layerList = self._layerList + ["Auto"] self._layerOptions.clear() for item in layerList: self._layerOptions.addItem(item) self._layerList = layerList nIterations = ddict.get("iterations", 3) self._nIterations.setValue(nIterations) layerList = self._layerList layerPeaks = self._layerPeaks self._layerOptions.setCurrentIndex(layerList.index(layer)) if layer in layerPeaks: self._table.setLayerPeakFamilies(layerPeaks[layer]) completer = ddict.get("completer", "-") self._materialOptions.setCurrentText(completer) flags = ddict["flags"] families = ddict["peaks"] materials = ddict["materials"] nItem = 0 for i in range(len(flags)): doIt = 0 if (flags[i] in [1, True, "1", "True"]) and (layer in layerPeaks): flag = 1 if families[i] in layerPeaks[layer]: if materials[i] in ["-"]: doIt = 1 else: element = families[i].split()[0] if element in Elements.getMaterialMassFractions( \ [materials[i]], [1.0]): doIt = 1 if doIt: self._table.setData(nItem, flag, families[i], materials[i]) else: self._table.setData(nItem, flag, families[i], element) else: self._table.setData(nItem, 0, "-", "-") nItem += 1 class IterationTable(qt.QTableWidget): sigValueChanged = qt.pyqtSignal(int, int) def __init__(self, parent=None): qt.QTableWidget.__init__(self, parent) self.verticalHeader().hide() self.setRowCount(5) self.setColumnCount(6) labels = ["Use", "Peak Family", "Material Form"] * 2 for i in range(len(labels)): item = self.horizontalHeaderItem(i) if item is None: item = qt.QTableWidgetItem(labels[i], qt.QTableWidgetItem.Type) self.setHorizontalHeaderItem(i,item) self.build() self.resizeColumnToContents(0) self.resizeColumnToContents(3) self.cellChanged[int, int].connect(self.mySlot) def setData(self, idx, use, peak, material="-"): row = idx % 5 c = 3 * (idx // self.rowCount()) item = self.cellWidget(row, 0 + c) if use: item.setChecked(True) else: item.setChecked(False) item = self.cellWidget(row, 1 + c) n = item.findText(peak) item.setCurrentIndex(n) ddict = {} ddict['row'] = row ddict['col'] = 1 + c ddict['text'] = peak self.__updateMaterialOptions(ddict) item = self.cellWidget(row, 2 + c) item.setEditText(material) def mySlot(self,row,col): if DEBUG: print("Value changed row = %d col = %d" % (row, col)) if col != 0: print("Text = %s" % self.cellWidget(row, col).currentText()) def _checkBoxSlot(self, ddict): # check we do not have duplicates row = ddict['row'] col = ddict['col'] target = str(self.cellWidget(row, 1 + col).currentText()).split()[0] for idx in range(10): r = idx % 5 c = 3 * (idx // self.rowCount()) if r == row: if c == col: continue item = self.cellWidget(r, 0 + c) if item.isChecked(): element = str(self.cellWidget(r, 1 + c).currentText()).split()[0] if target == element: # reset the just changed one self.cellWidget(row, col).setChecked(False) self.cellWidget(row, col + 1).setCurrentIndex(0) self.cellWidget(row, col + 2).setCurrentText("-") return self.setCurrentCell(row, col) self.sigValueChanged.emit(row, col) def build(self): materialList = list(Elements.Material.keys()) materialList.sort() a = ["-"] for key in materialList: a.append(key) for idx in range(10): row = idx % 5 c = 3 * (idx // self.rowCount()) item = self.cellWidget(row, 0 + c) if item is None: item = MyCheckBox(self, row, 0 + c) self.setCellWidget(row, 0 + c, item) item.sigMyCheckBoxSignal.connect(self._checkBoxSlot) item = self.cellWidget(row, 1 + c) if item is None: item = SimpleComboBox(self, row=row, col=1 + c) self.setCellWidget(row, 1 + c, item) item.sigSimpleComboBoxSignal.connect(self._peakFamilySlot) item = self.cellWidget(row, 2 + c) if item is None: item = MyQComboBox(self, options=a, row=row, col=2 + c) item.setEditable(True) self.setCellWidget(row, 2 + c, item) item.sigMaterialComboBoxSignal.connect(self._comboSlot) def setMaterialOptions(self, options): for idx in range(10): row = idx % 5 c = 3 * (idx // self.rowCount()) item = self.cellWidget(row, 2 + c) item.setOptions(options) def setLayerPeakFamilies(self, layerPeaks): for idx in range(10): row = idx % 5 c = 3 * (idx // self.rowCount()) item = self.cellWidget(row, 1 + c) item.setOptions(["-"] + layerPeaks) # reset material form item = self.cellWidget(row, 2 + c) item.setCurrentIndex(0) def __updateMaterialOptions(self, ddict): row = ddict['row'] col = ddict['col'] text = ddict['text'] element = text.split()[0] materialItem = self.cellWidget(row, col + 1) associatedMaterial = str(materialItem.currentText()) goodCandidates = [element] for i in range(materialItem.count()): material = str(materialItem.itemText(i)) if material not in ["-", element]: if element in Elements.getMaterialMassFractions([material], [1.0]): goodCandidates.append(material) materialItem.clear() materialItem.setOptions(goodCandidates) if associatedMaterial in goodCandidates: materialItem.setCurrentIndex(goodCandidates.index(associatedMaterial)) else: materialItem.setCurrentIndex(0) def _peakFamilySlot(self, ddict): if DEBUG: print("_peakFamilySlot", ddict) # check we do not have duplicates target = ddict["text"].split()[0] row = ddict['row'] col = ddict['col'] for idx in range(10): r = idx % 5 c = 3 * (idx // self.rowCount()) if r == row: if (c + 1) == col: continue item = self.cellWidget(r, 0 + c) if item.isChecked(): element = str(self.cellWidget(r, 1 + c).currentText()).split()[0] if target == element: # reset the just changed one self.cellWidget(row, col - 1).setChecked(False) return self.__updateMaterialOptions(ddict) self.setCurrentCell(row, col) self.sigValueChanged.emit(row, col) def _comboSlot(self, ddict): if DEBUG: print("_comboSlot", ddict) row = ddict['row'] col = ddict['col'] text = ddict['text'] self.setCurrentCell(row, col) self.sigValueChanged.emit(row, col) def getParameters(self): ddict = {} ddict["flags"] = [] ddict["peaks"] = [] ddict["materials"] = [] for idx in range(10): row = idx % 5 c = 3 * (idx // self.rowCount()) item = self.cellWidget(row, 0 + c) if item.isChecked(): peak = str(self.cellWidget(row, 1 + c).currentText()) if peak in ["-"]: continue #raise ValueError("Invalid peak family in row %d" % row) ddict["flags"].append(1) ddict["peaks"].append(peak) ddict["materials"].append(self.cellWidget(row, 2 + c).currentText()) else: ddict["flags"].append(0) ddict["peaks"].append(self.cellWidget(row, 1 + c).currentText()) ddict["materials"].append(self.cellWidget(row, 2 + c).currentText()) return ddict class SimpleComboBox(qt.QComboBox): sigSimpleComboBoxSignal = qt.pyqtSignal(object) def __init__(self, parent=None,row=None, col=None): if row is None: row = 0 if col is None: col = 0 self.row = row self.col = col qt.QComboBox.__init__(self,parent) self.setEditable(False) self.setDuplicatesEnabled(False) self.activated[str].connect(self._mySignal) def setOptions(self, options): self.clear() for item in options: self.addItem(item) def _mySignal(self, txt): ddict = {} ddict["event"] = "activated" ddict["row"] = self.row ddict["col"] = self.col ddict["text"] = self.currentText() self.sigSimpleComboBoxSignal.emit(ddict) class MyQComboBox(MaterialComboBox): def _mySignal(self, qstring0): qstring = qstring0 (result, index) = self.ownValidator.validate(qstring, 0) if result != self.ownValidator.Valid: qstring = self.ownValidator.fixup(qstring) (result, index) = self.ownValidator.validate(qstring,0) if result != self.ownValidator.Valid: text = str(qstring) if text.upper() not in ["-", "None"]: qt.QMessageBox.critical(self, "Invalid Material '%s'" % text, "The material '%s' is not a valid Formula " \ "nor a valid Material.\n" \ "Please define the material %s or correct the formula\n" % \ (text, text)) self.setCurrentIndex(0) for i in range(self.count()): selftext = self.itemText(i) if selftext == qstring0: self.removeItem(i) break return text = str(qstring) self.setCurrentText(text) ddict = {} ddict['event'] = 'activated' ddict['row'] = self.row ddict['col'] = self.col ddict['text'] = text if qstring0 != qstring: self.removeItem(self.count() - 1) insert = True for i in range(self.count()): selftext = self.itemText(i) if qstring == selftext: insert = False if insert: self.insertItem(-1, qstring) # signal defined in the superclass. self.sigMaterialComboBoxSignal.emit(ddict) class MyCheckBox(qt.QCheckBox): sigMyCheckBoxSignal = qt.pyqtSignal(object) def __init__(self, parent=None, row=0, col=0): qt.QCheckBox.__init__(self, parent) self._row = row self._col = col self.stateChanged[int].connect(self._emitSignal) def _emitSignal(self, *var): ddict = {} ddict["row"] = self._row ddict["col"] = self._col self.sigMyCheckBoxSignal.emit(ddict) class StrategyHandlerDialog(qt.QDialog): def __init__(self, parent=None): qt.QDialog.__init__(self, parent) self.setWindowTitle("Fit Strategy Configuration Window") self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) self.handlerWidget = StrategyHandlerWidget(self) # mimic behavior self.setFitConfiguration = self.handlerWidget.setFitConfiguration self.getParameters = self.handlerWidget.getParameters self.setParameters = self.handlerWidget.setParameters # the actions hbox = qt.QWidget(self) hboxLayout = qt.QHBoxLayout(hbox) hboxLayout.setContentsMargins(0, 0, 0, 0) hboxLayout.setSpacing(2) self.loadButton = qt.QPushButton(hbox) self.loadButton.setText("Load") self.loadButton.setAutoDefault(False) self.loadButton.setToolTip("Read the strategy parameters from other fit configuration file") self.okButton = qt.QPushButton(hbox) self.okButton.setText("OK") self.okButton.setAutoDefault(False) self.dismissButton = qt.QPushButton(hbox) self.dismissButton.setText("Cancel") self.dismissButton.setAutoDefault(False) hboxLayout.addWidget(self.loadButton) hboxLayout.addWidget(qt.HorizontalSpacer(hbox)) hboxLayout.addWidget(self.okButton) hboxLayout.addWidget(self.dismissButton) hboxLayout.addWidget(qt.HorizontalSpacer(hbox)) # layout self.mainLayout.addWidget(self.handlerWidget) self.mainLayout.addWidget(hbox) # connect self.loadButton.clicked.connect(self.load) self.dismissButton.clicked.connect(self.reject) self.okButton.clicked.connect(self.accept) def sizeHint(self): return qt.QSize(int(1.5*qt.QDialog.sizeHint(self).width()), qt.QDialog.sizeHint(self).height()) def load(self): fileList = PyMcaFileDialogs.getFileList(parent=self, filetypelist=["Fit files (*.cfg)"], message="Select a fit configuration file", mode="OPEN", getfilter=False, single=True) if len(fileList): d = ConfigDict.ConfigDict() d.read(fileList[0]) self.setParameters(d) def main(fileName=None): app = qt.QApplication(sys.argv) w = StrategyHandlerDialog() if fileName is not None: d = ConfigDict.ConfigDict() d.read(fileName) d["fit"]["strategy"] = "SingleLayerStrategy" d["SingleLayerStrategy"] = {} d["SingleLayerStrategy"]["iterations"] = 4 d["SingleLayerStrategy"]["flags"] = 1, 1, 0, 1 d["SingleLayerStrategy"]["peaks"] = "Cr K", "Fe K", "Mn K", "Fe Ka" d["SingleLayerStrategy"]["materials"] = "-", "Goethite", "-", "Goethite" d["SingleLayerStrategy"]["completer"] = "Mo" w.setFitConfiguration(d) if w.exec_() == qt.QDialog.Accepted: print(w.getParameters()) if __name__ == "__main__": if len(sys.argv) < 2: print("Usage: python StrategyHandler FitConfigurationFile") main() else: fileName = sys.argv[1] print(main(fileName)) ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/physics/xrf/ConcentrationsWidget.py������������������������������������0000644�0002763�0000175�00000106733�13136054446�024507� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2016 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys from PyMca5.PyMcaGui import PyMcaQt as qt if hasattr(qt, 'QString'): QString = qt.QString else: QString = str QTVERSION = qt.qVersion() XRFMC_FLAG = False if QTVERSION > '4.0.0': XRFMC_FLAG = True QTable = qt.QTableWidget from PyMca5.PyMcaPhysics.xrf import ConcentrationsTool from PyMca5.PyMcaPhysics.xrf import Elements import time DEBUG = 0 if DEBUG: print("ConcentrationsWidget is in debug mode") class Concentrations(qt.QWidget): sigConcentrationsSignal = qt.pyqtSignal(object) sigClosed = qt.pyqtSignal() def __init__(self, parent=None, name="Concentrations"): qt.QWidget.__init__(self, parent) self.setWindowTitle(name) self.build() self.setParameters = self.concentrationsWidget.setParameters self.getParameters = self.concentrationsWidget.getParameters self.setTimeFactor = self.concentrationsWidget.setTimeFactor self.__lastVar = None self.__lastKw = None def build(self): layout = qt.QVBoxLayout(self) layout.setContentsMargins(0, 0, 0, 0) layout.setSpacing(0) self.concentrationsTool = ConcentrationsTool.ConcentrationsTool() self.concentrationsWidget = ConcentrationsWidget(self) self.concentrationsTable = ConcentrationsTable(self) layout.addWidget(self.concentrationsWidget) layout.addWidget(self.concentrationsTable) layout.setStretchFactor(self.concentrationsWidget, 0) layout.setStretchFactor(self.concentrationsTable, 1) self.concentrationsWidget.sigConcentrationsWidgetSignal.connect( \ self.mySlot) self.concentrationsTool.configure( self.concentrationsWidget.getParameters()) self.__connected = True def mySlot(self, ddict=None): if ddict is None: ddict = {} if not self.__connected: return try: # try to avoid multiple triggering on Mac OS self.__connected = False self.concentrationsTable.setFocus() app = qt.QApplication.instance() app.processEvents() finally: self.__connected = True if ddict['event'] == 'updated': self.concentrationsTool.configure(ddict) if self.__lastKw is not None: addInfo = False if 'addinfo' in self.__lastKw: if self.__lastKw['addinfo']: addInfo = True try: if addInfo: concentrations, info = self.processFitResult(*self.__lastVar, **self.__lastKw) else: concentrations = self.processFitResult(*self.__lastVar, **self.__lastKw) ddict['concentrations'] = concentrations except: self.__lastKw = None raise self.mySignal(ddict) def mySignal(self, ddict=None): if ddict is None: ddict = {} self.sigConcentrationsSignal.emit(ddict) def processFitResult(self, *var, **kw): self.__lastVar = var self.__lastKw = kw addInfo = False if 'addinfo' in kw: if kw['addinfo']: addInfo = True if DEBUG: if addInfo: ddict, info = self.concentrationsTool.processFitResult(*var, **kw) self.concentrationsTable.fillFromResult(ddict) return ddict, info else: ddict = self.concentrationsTool.processFitResult(*var, **kw) self.concentrationsTable.fillFromResult(ddict) return ddict try: threadResult = self._submitThread(*var, **kw) if type(threadResult) == type((1,)): if len(threadResult): if threadResult[0] == "Exception": raise Exception(threadResult[1], threadResult[2]) if addInfo: ddict, info = threadResult self.concentrationsTable.fillFromResult(ddict) return ddict, info else: ddict = threadResult self.concentrationsTable.fillFromResult(ddict) return ddict except: self.__lastKw = None self.concentrationsTable.setRowCount(0) msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("%s" % sys.exc_info()[1]) msg.exec_() def closeEvent(self, event): qt.QWidget.closeEvent(self, event) ddict = {} ddict['event'] = 'closed' self.sigClosed.emit(ddict) def _submitThread(self, *var, **kw): message = "Calculating concentrations" sthread = SimpleThread(self.concentrationsTool.processFitResult, *var, **kw) sthread.start() msg = qt.QDialog(self, qt.Qt.FramelessWindowHint) msg.setModal(0) msg.setWindowTitle("Please Wait") layout = qt.QHBoxLayout(msg) layout.setContentsMargins(0, 0, 0, 0) layout.setSpacing(0) l1 = qt.QLabel(msg) l1.setFixedWidth(l1.fontMetrics().width('##')) l2 = qt.QLabel(msg) l2.setText("%s" % message) l3 = qt.QLabel(msg) l3.setFixedWidth(l3.fontMetrics().width('##')) layout.addWidget(l1) layout.addWidget(l2) layout.addWidget(l3) msg.show() qApp = qt.QApplication.instance() qApp.processEvents() i = 0 ticks = ['-', '\\', "|", "/", "-", "\\", '|', '/'] while (sthread.isRunning()): i = (i + 1) % 8 l1.setText(ticks[i]) l3.setText(" " + ticks[i]) qApp = qt.QApplication.instance() qApp.processEvents() time.sleep(1) msg.close() result = sthread._result del sthread self.raise_() return result class SimpleThread(qt.QThread): def __init__(self, function, *var, **kw): if kw is None: kw = {} qt.QThread.__init__(self) self._function = function self._var = var self._kw = kw self._result = None def run(self): if DEBUG: self._result = self._function(*self._var, **self._kw) else: try: self._result = self._function(*self._var, **self._kw) except: self._result = ("Exception",) + sys.exc_info() class ConcentrationsWidget(qt.QWidget): sigConcentrationsWidgetSignal = qt.pyqtSignal(object) def __init__(self, parent=None, name="Concentrations"): qt.QWidget.__init__(self, parent) self.setWindowTitle(name) self._liveTime = None self.build() ddict = {} ddict['usematrix'] = 0 ddict['useattenuators'] = 1 ddict['usexrfmc'] = 0 ddict['flux'] = 1.0E10 ddict['time'] = 1.0 ddict['useautotime'] = 0 ddict['area'] = 30.0 ddict['distance'] = 10.0 ddict['reference'] = "Auto" ddict['mmolarflag'] = 0 self.setParameters(ddict) def build(self): layout = qt.QVBoxLayout(self) layout.setContentsMargins(0, 0, 0, 0) layout.setSpacing(0) buttonGroup = qt.QGroupBox(self) buttonGroup.layout = qt.QVBoxLayout(buttonGroup) buttonGroup.layout.setContentsMargins(0, 0, 0, 0) buttonGroup.layout.setSpacing(0) layout.addWidget(buttonGroup) self.fluxCheckBox = qt.QCheckBox(buttonGroup) self.fluxCheckBox.setText("From fundamental parameters") wf = qt.QWidget(buttonGroup) wf.layout = qt.QHBoxLayout(wf) wf.layout.setContentsMargins(0, 0, 0, 0) wf.layout.setSpacing(0) wf.layout.addWidget(qt.HorizontalSpacer(wf)) self.fundamentalWidget = FundamentalWidget(wf) wf.layout.addWidget(self.fundamentalWidget) wf.layout.addWidget(qt.HorizontalSpacer(wf)) self.matrixCheckBox = qt.QCheckBox(buttonGroup) self.matrixCheckBox.setText("From matrix composition") self.fluxCheckBox.setChecked(True) wm = qt.QWidget(buttonGroup) wm.layout = qt.QHBoxLayout(wm) wm.layout.setContentsMargins(0, 0, 0, 0) wm.layout.setSpacing(0) wm.layout.addWidget(qt.HorizontalSpacer(wm)) referenceLabel = qt.QLabel(wm) wm.layout.addWidget(referenceLabel) referenceLabel.setText("Matrix Reference Element:") #self.referenceCombo=MyQComboBox(wm) #self.referenceCombo=qt.QComboBox(wm) #self.referenceCombo.setEditable(True) #self.referenceCombo.insertItem('Auto') self.referenceLine = MyQLineEdit(wm) wm.layout.addWidget(self.referenceLine) self.referenceLine.setFixedWidth( self.referenceLine.fontMetrics().width('#######')) wm.layout.addWidget(qt.HorizontalSpacer(wm)) self.referenceLine.sigMyQLineEditSignal.connect( \ self._referenceLineSlot) buttonGroup.layout.addWidget(self.fluxCheckBox) buttonGroup.layout.addWidget(wf) buttonGroup.layout.addWidget(self.matrixCheckBox) buttonGroup.layout.addWidget(wm) #self.fundamentalWidget.setEnabled(False) self.attenuatorsCheckBox = qt.QCheckBox(self) self.attenuatorsCheckBox.setText("Consider attenuators in calculations") self.attenuatorsCheckBox.setDisabled(True) #Multilayer secondary excitation self.secondaryCheckBox = qt.QCheckBox(self) self.secondaryCheckBox.setText("Consider secondary excitation") self.tertiaryCheckBox = qt.QCheckBox(self) self.tertiaryCheckBox.setText("Consider tertiary excitation") layout.addWidget(self.attenuatorsCheckBox) layout.addWidget(self.secondaryCheckBox) layout.addWidget(self.tertiaryCheckBox) #XRFMC secondary excitation if XRFMC_FLAG: self.xrfmcCheckBox = qt.QCheckBox(self) self.xrfmcCheckBox.setText("use Monte Carlo code to correct higher order excitations") layout.addWidget( self.xrfmcCheckBox) #mM checkbox self.mMolarCheckBox = qt.QCheckBox(self) self.mMolarCheckBox.setText("Elemental mM concentrations (assuming 1 l of solution is 1000 * matrix_density grams)") layout.addWidget(self.mMolarCheckBox) layout.addWidget(qt.VerticalSpacer(self)) buttonGroup.show() self.fluxCheckBox.clicked.connect(self._fluxCheckBoxSlot) self.matrixCheckBox.clicked.connect(self.checkBoxSlot) self.attenuatorsCheckBox.clicked.connect(self.checkBoxSlot) self.secondaryCheckBox.clicked.connect(self._secondaryCheckBoxSlot) self.tertiaryCheckBox.clicked.connect(self._tertiaryCheckBoxSlot) if XRFMC_FLAG: self.xrfmcCheckBox.clicked.connect(self._xrfmcCheckBoxSlot) self.mMolarCheckBox.clicked.connect(self.checkBoxSlot) self.fundamentalWidget.flux.sigMyQLineEditSignal.connect( \ self._mySignal) self.fundamentalWidget.area.sigMyQLineEditSignal.connect( \ self._mySignal) self.fundamentalWidget.time.sigMyQLineEditSignal.connect( \ self._mySignal) self.fundamentalWidget.distance.sigMyQLineEditSignal.connect( \ self._mySignal) self.fundamentalWidget.autoTimeCheckBox.clicked.connect( \ self.__autoTimeSlot) def __autoTimeSlot(self): return self._autoTimeSlot() def _autoTimeSlot(self, signal=True): if self.fundamentalWidget.autoTimeCheckBox.isChecked(): if self._liveTime is None: self.fundamentalWidget.autoTimeCheckBox.setChecked(False) self.fundamentalWidget.time.setEnabled(True) else: self.fundamentalWidget.time.setText("%.6g" % self._liveTime) self.fundamentalWidget.time.setEnabled(False) if signal: self._mySignal() else: self.fundamentalWidget.time.setEnabled(True) def setTimeFactor(self, factor=None, signal=False): self._liveTime = factor if factor is None: self.fundamentalWidget.autoTimeCheckBox.setChecked(False) self.fundamentalWidget.time.setEnabled(True) else: # act according to the settings self._autoTimeSlot(signal=signal) def _fluxCheckBoxSlot(self): if self.fluxCheckBox.isChecked(): self.matrixCheckBox.setChecked(False) else: self.matrixCheckBox.setChecked(True) self.checkBoxSlot() def _secondaryCheckBoxSlot(self): if self.secondaryCheckBox.isChecked(): if XRFMC_FLAG: self.xrfmcCheckBox.setChecked(False) self.tertiaryCheckBox.setChecked(False) self.checkBoxSlot() def _tertiaryCheckBoxSlot(self): if self.tertiaryCheckBox.isChecked(): if XRFMC_FLAG: self.xrfmcCheckBox.setChecked(False) self.secondaryCheckBox.setChecked(False) self.checkBoxSlot() def _xrfmcCheckBoxSlot(self): if self.xrfmcCheckBox.isChecked(): self.secondaryCheckBox.setChecked(False) self.checkBoxSlot() def checkBoxSlot(self): if self.matrixCheckBox.isChecked(): self.fundamentalWidget.setInputDisabled(True) self.referenceLine.setEnabled(True) self.fluxCheckBox.setChecked(False) else: self.fundamentalWidget.setInputDisabled(False) self.referenceLine.setEnabled(False) self.fluxCheckBox.setChecked(True) self._mySignal() def _referenceLineSlot(self, ddict): if ddict['event'] == "returnPressed": current = str(self.referenceLine.text()) current = current.replace(' ', '') if (current == '') or (current.upper() == 'AUTO'): pass elif len(current) == 2: current = current.upper()[0] + current.lower()[1] elif len(current) == 1: current = current.upper()[0] else: self.referenceLine.setText('Auto') msg = qt.QMessageBox(self.referenceLine) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Invalid Element %s" % current) msg.exec_() self.referenceLine.setFocus() return if (current == '') or (current.upper() == 'AUTO'): self.referenceLine.setText('Auto') self._mySignal() elif not Elements.isValidFormula(current): self.referenceLine.setText('Auto') msg = qt.QMessageBox(self.referenceLine) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Invalid Element %s" % current) msg.exec_() self.referenceLine.setFocus() else: self.referenceLine.setText(current) self._mySignal() def _mySignal(self, dummy=None): ddict = self.getParameters() ddict['event'] = 'updated' self.sigConcentrationsWidgetSignal.emit(ddict) def getParameters(self): ddict = {} if self.matrixCheckBox.isChecked(): ddict['usematrix'] = 1 else: ddict['usematrix'] = 0 if self.attenuatorsCheckBox.isChecked(): ddict['useattenuators'] = 1 else: ddict['useattenuators'] = 0 if self.tertiaryCheckBox.isChecked(): ddict['usemultilayersecondary'] = 2 elif self.secondaryCheckBox.isChecked(): ddict['usemultilayersecondary'] = 1 else: ddict['usemultilayersecondary'] = 0 ddict['usexrfmc'] = 0 if XRFMC_FLAG: if self.xrfmcCheckBox.isChecked(): ddict['usexrfmc'] = 1 if self.mMolarCheckBox.isChecked(): ddict['mmolarflag'] = 1 else: ddict['mmolarflag'] = 0 ddict['flux'] = float(str(self.fundamentalWidget.flux.text())) ddict['time'] = float(str(self.fundamentalWidget.time.text())) ddict['area'] = float(str(self.fundamentalWidget.area.text())) ddict['distance'] = float(str(self.fundamentalWidget.distance.text())) #ddict['reference'] = str(self.referenceCombo.currentText()) ddict['reference'] = str(self.referenceLine.text()) if self.fundamentalWidget.autoTimeCheckBox.isChecked(): ddict['useautotime'] = 1 if self._liveTime is None: #ddict["useautotime"] = 0 #self.fundamentalWidget.autoTimeCheckBox.setChecked(False) msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Cannot use automatic concentrations time setting!!!") msg.exec_() else: ddict['time'] = float(self._liveTime) else: ddict['useautotime'] = 0 return ddict def setParameters(self, ddict, signal=None): if signal is None: signal = True if 'usemultilayersecondary' in ddict: if ddict['usemultilayersecondary']: if ddict['usemultilayersecondary'] == 2: self.tertiaryCheckBox.setChecked(True) self.secondaryCheckBox.setChecked(False) else: self.tertiaryCheckBox.setChecked(False) self.secondaryCheckBox.setChecked(True) else: self.secondaryCheckBox.setChecked(False) self.tertiaryCheckBox.setChecked(False) else: self.secondaryCheckBox.setChecked(False) self.tertiaryCheckBox.setChecked(False) if XRFMC_FLAG: if 'usexrfmc' in ddict: if ddict['usexrfmc']: self.xrfmcCheckBox.setChecked(True) else: self.xrfmcCheckBox.setChecked(False) if 'mmolarflag' in ddict: if ddict['mmolarflag']: self.mMolarCheckBox.setChecked(True) else: self.mMolarCheckBox.setChecked(False) else: self.mMolarCheckBox.setChecked(False) usematrix = ddict.get('usematrix', False) if usematrix: self.fluxCheckBox.setChecked(False) self.matrixCheckBox.setChecked(True) else: self.fluxCheckBox.setChecked(True) self.matrixCheckBox.setChecked(False) ddict['useattenuators'] = 1 if ddict['useattenuators']: self.attenuatorsCheckBox.setChecked(True) else: self.attenuatorsCheckBox.setChecked(False) if 'reference' in ddict: #self.referenceCombo.setCurrentText(QString(ddict['reference'])) self.referenceLine.setText(QString(ddict['reference'])) else: #self.referenceCombo.setCurrentText(QString("Auto")) self.referenceLine.setText(QString("Auto")) self.fundamentalWidget.flux.setText("%.6g" % ddict['flux']) self.fundamentalWidget.area.setText("%.6g" % ddict['area']) self.fundamentalWidget.distance.setText("%.6g" % ddict['distance']) if ddict['time'] is not None: self.fundamentalWidget.time.setText("%.6g" % ddict['time']) autotime = ddict.get("useautotime", False) if autotime: self.fundamentalWidget.autoTimeCheckBox.setChecked(True) if self._liveTime is not None: self.fundamentalWidget.time.setText("%.6g" % self._liveTime) else: self.fundamentalWidget.autoTimeCheckBox.setChecked(False) if self.matrixCheckBox.isChecked(): self.fundamentalWidget.setInputDisabled(True) self.referenceLine.setEnabled(True) else: self.fundamentalWidget.setInputDisabled(False) self.referenceLine.setEnabled(False) if signal: self._mySignal() def setReferenceOptions(self, options=None): if options is None: options = ['Auto'] old = self.referenceCombo.currentText() if 'Auto' not in options: options = ['Auto'] + options self.referenceCombo.clear() self.referenceCombo.insertStrList(options) if old in options: self.referenceCombo.setCurrentText(old) else: self.referenceCombo.setCurrentText('Auto') class FundamentalWidget(qt.QWidget): def __init__(self, parent=None, name=""): qt.QWidget.__init__(self, parent) self.build() def build(self, spacing=2): layout = qt.QHBoxLayout(self) layout.setContentsMargins(0, 0, 0, 0) layout.setSpacing(spacing) #column 0 c0 = qt.QWidget(self) c0.layout = qt.QVBoxLayout(c0) c0.layout.setContentsMargins(0, 0, 0, 0) c0.layout.setSpacing(spacing) c0l0 = qt.QLabel(c0) c0l0.setText("Flux (photons/s)") c0l1 = qt.QLabel(c0) c0l1.setText("Active Area (cm2)") c0.layout.addWidget(c0l0) c0.layout.addWidget(c0l1) #column 1 c1 = qt.QWidget(self) c1.layout = qt.QVBoxLayout(c1) c1.layout.setContentsMargins(0, 0, 0, 0) c1.layout.setSpacing(spacing) self.flux = MyQLineEdit(c1) self.flux.setValidator(qt.QDoubleValidator(self.flux)) self.area = MyQLineEdit(c1) self.area.setValidator(qt.QDoubleValidator(self.area)) c1.layout.addWidget(self.flux) c1.layout.addWidget(self.area) #column 2 c2 = qt.QWidget(self) c2.layout = qt.QVBoxLayout(c2) c2.layout.setContentsMargins(0, 0, 0, 0) c2.layout.setSpacing(spacing) c2l0 = qt.QLabel(c2) c2l0.setText("x time(seconds)") c2l1 = qt.QLabel(c2) c2l1.setText("distance (cm)") c2.layout.addWidget(c2l0) c2.layout.addWidget(c2l1) #column 3 c3 = qt.QWidget(self) c3.layout = qt.QGridLayout(c3) c3.layout.setContentsMargins(0, 0, 0, 0) c3.layout.setSpacing(spacing) self.time = MyQLineEdit(c3) self.time.setValidator(qt.QDoubleValidator(self.time)) self.autoTimeCheckBox = qt.QCheckBox(c3) self.autoTimeCheckBox.setText("Use Automatic Factor") self.autoTimeCheckBox.setChecked(False) self.autoTimeCheckBox.setToolTip("Attempt to read from the incoming data generating an error if factor not present") self.distance = MyQLineEdit(c3) self.distance.setValidator(qt.QDoubleValidator(self.distance)) c3.layout.addWidget(self.time, 0, 0) c3.layout.addWidget(self.autoTimeCheckBox, 0, 1) c3.layout.addWidget(self.distance, 1, 0) layout.addWidget(c0) layout.addWidget(c1) layout.addWidget(c2) layout.addWidget(c3) def setInputDisabled(self, a=None): if a is None: a = True if a: self.flux.setEnabled(False) self.time.setEnabled(False) self.area.setEnabled(False) self.distance.setEnabled(False) else: self.flux.setEnabled(True) self.time.setEnabled(True) self.area.setEnabled(True) self.distance.setEnabled(True) class ConcentrationsTable(QTable): def __init__(self, parent=None, **kw): QTable.__init__(self, parent) if 'labels' in kw: self.labels = [] for label in kw['labels']: self.labels.append(label) else: self.labels = ['Element', 'Group', 'Fit Area', 'Mass fraction'] self.setColumnCount(len(self.labels)) self.setRowCount(1) for i in range(len(self.labels)): item = self.horizontalHeaderItem(i) if item is None: item = qt.QTableWidgetItem(self.labels[i], qt.QTableWidgetItem.Type) self.setHorizontalHeaderItem(i, item) self.resizeColumnToContents(i) def fillFromResult(self, result): if 'mmolar' in result: mmolarflag = True else: mmolarflag = False groupsList = result['groups'] nrows = len(groupsList) if nrows != self.rowCount(): self.setRowCount(nrows) if mmolarflag: self.labels = ['Element', 'Group', 'Fit Area', 'Sigma Area', 'mM concentration'] else: self.labels = ['Element', 'Group', 'Fit Area', 'Sigma Area', 'Mass fraction'] if 'layerlist' in result: for label in result['layerlist']: self.labels += [label] self.setColumnCount(len(self.labels)) for i in range(len(self.labels)): item = self.horizontalHeaderItem(i) if item is None: item = qt.QTableWidgetItem(self.labels[i], qt.QTableWidgetItem.Type) item.setText(self.labels[i]) self.setHorizontalHeaderItem(i, item) line = 0 for group in groupsList: element, group0 = group.split() # transitions = group0 + " xrays" fitarea = QString("%.6e" % (result['fitarea'][group])) sigmaarea = QString("%.2e" % (result['sigmaarea'][group])) area = QString("%.6e" % (result['area'][group])) if result['mass fraction'][group] < 0.0: fraction = QString("Unknown") else: if mmolarflag: fraction = QString("%.4g" % (result['mmolar'][group])) else: fraction = QString("%.4g" % (result['mass fraction'][group])) if line % 2: color = qt.QColor(255, 250, 205) else: color = qt.QColor('white') if 'Expected Area' in self.labels: fields = [element, group0, fitarea, sigmaarea, area, fraction] else: fields = [element, group0, fitarea, sigmaarea, fraction] if 'layerlist' in result: for layer in result['layerlist']: if result[layer]['mass fraction'][group] < 0.0: fraction = QString("Unknown") else: if mmolarflag: fraction = QString("%.4g" % (result[layer]['mmolar'][group])) else: fraction = QString("%.4g" % (result[layer]['mass fraction'][group])) fields += [fraction] col = 0 for field in fields: item = self.item(line, col) if item is None: item = qt.QTableWidgetItem(field, qt.QTableWidgetItem.Type) self.setItem(line, col, item) else: item.setText(field) if hasattr(item, "setBackground"): # Qt5 item.setBackground(color) else: # Qt4 item.setBackgroundColor(color) item.setFlags(qt.Qt.ItemIsSelectable | qt.Qt.ItemIsEnabled) col += 1 line += 1 for i in range(self.columnCount()): if (i > 1) and (i < 5): self.resizeColumnToContents(i) def getHtmlText(self): lemon = ("#%x%x%x" % (255, 250, 205)).upper() white = "#FFFFFF" hcolor = ("#%x%x%x" % (230, 240, 249)).upper() text = "" text += ("<nobr>") text += ("<table>") text += ("<tr>") for l in range(self.columnCount()): text += ('<td align="left" bgcolor="%s"><b>' % hcolor) item = self.horizontalHeaderItem(l) text += str(item.text()) text += ("</b></td>") text += ("</tr>") #text+=( str(QString("</br>")) for r in range(self.rowCount()): text += ("<tr>") if r % 2: color = white b = "<b>" else: b = "<b>" color = lemon for c in range(self.columnCount()): moretext = "" item = self.item(r, c) if item is not None: moretext = str(item.text()) if len(moretext): finalcolor = color else: finalcolor = white if c < 2: text += ('<td align="left" bgcolor="%s">%s' % (finalcolor, b)) else: text += ('<td align="right" bgcolor="%s">%s' % (finalcolor, b)) text += moretext if len(b): text += ("</td>") else: text += ("</b></td>") moretext = "" item = self.item(r, 0) if item is not None: moretext = str(item.text()) if len(moretext): text += ("</b>") text += ("</tr>") text += ("\n") text += ("</table>") text += ("</nobr>") return text def _copySelection(self): selected_idx = self.selectedIndexes() selected_idx_tuples = [(idx.row(), idx.column()) for idx in selected_idx] selected_rows = [idx[0] for idx in selected_idx_tuples] selected_columns = [idx[1] for idx in selected_idx_tuples] if sys.platform.startswith("win"): newline = "\r\n" else: newline = "\n" copied_text = "" for row in range(min(selected_rows), max(selected_rows) + 1): for col in range(min(selected_columns), max(selected_columns) + 1): item_text = self.item(row, col).text() if (row, col) in selected_idx_tuples: copied_text += item_text copied_text += "\t" # remove the right-most tabulation copied_text.rstrip("\t") # add a newline copied_text += newline # remove final newline copied_text.rstrip(newline) # put this text into clipboard qapp = qt.QApplication.instance() qapp.clipboard().setText(copied_text) def keyPressEvent(self, keyEvent): #if there is a control-C event copy data to the clipboard if (keyEvent.key() == qt.Qt.Key_C) and \ (keyEvent.modifiers() & qt.Qt.ControlModifier): self._copySelection() class MyQLineEdit(qt.QLineEdit): sigMyQLineEditSignal = qt.pyqtSignal(object) def __init__(self, parent=None, name=None): qt.QLineEdit.__init__(self, parent) self.editingFinished[()].connect(self._mySignal) #TODO: Focus in to set yellow color, focus out to set white color def _mySignal(self): ddict = {} ddict['event'] = "returnPressed" self.sigMyQLineEditSignal.emit(ddict) class MyQComboBox(qt.QComboBox): def __init__(self, parent=None, name=None, fl=0): qt.QComboBox.__init__(self, parent) self.setEditable(True) self._lineEdit = MyQLineEdit() self.setLineEdit(self._lineEdit) self._lineEdit.sigMyQLineEditSignal.connect(self._mySlot) def _mySlot(self, ddict): if ddict['event'] == "returnPressed": current = str(self.currentText()) current = current.replace(' ', '') if (current == '') or (current.upper() == 'AUTO'): pass elif len(current) == 2: current = current.upper()[0] + current.lower()[1] elif len(current) == 1: current = current.upper()[0] else: msg = qt.QMessageBox(self._lineEdit) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Invalid Element %s" % current) msg.exec_() self._lineEdit.setFocus() if not Elements.isValidFormula(current): msg = qt.QMessageBox(self._lineEdit) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Invalid Element %s" % current) msg.exec_() self._lineEdit.setFocus() else: self.setCurrentText(current) if __name__ == "__main__": import getopt import copy # import sys # from PyMca5 import ConcentrationsTool from PyMca5.PyMcaIO import ConfigDict if len(sys.argv) > 1: options = '' longoptions = ['flux=', 'time=', 'area=', 'distance=', 'attenuators=', 'usematrix='] opts, args = getopt.getopt( sys.argv[1:], options, longoptions) app = qt.QApplication([]) app.lastWindowClosed.connect(app.quit) demo = Concentrations() config = demo.getParameters() for opt, arg in opts: if opt in ('--flux'): config['flux'] = float(arg) elif opt in ('--area'): config['area'] = float(arg) elif opt in ('--time'): config['time'] = float(arg) elif opt in ('--distance'): config['distance'] = float(arg) elif opt in ('--attenuators'): config['useattenuators'] = int(float(arg)) elif opt in ('--usematrix'): config['usematrix'] = int(float(arg)) demo.setParameters(config) filelist = args for file in filelist: d = ConfigDict.ConfigDict() d.read(file) for material in d['result']['config']['materials'].keys(): Elements.Material[material] = copy.deepcopy(d['result']['config']['materials'][material]) demo.processFitResult(fitresult=d, elementsfrommatrix=False) demo.show() app.exec_() else: print("Usage:") print("ConcentrationsWidget.py [--flux=xxxx --area=xxxx] fitresultfile") �������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/physics/xrf/XRFMCPyMca.py����������������������������������������������0000644�0002763�0000175�00000103460�13136054446�022155� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2016 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os import time import traceback from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5 import PyMcaDirs as xrfmc_dirs from PyMca5.PyMcaIO import ConfigDict from PyMca5.PyMcaGui import SubprocessLogWidget from PyMca5.PyMcaPhysics.xrf.XRFMC import XRFMCHelper QTVERSION = qt.qVersion() class VerticalSpacer(qt.QWidget): def __init__(self, *args): qt.QWidget.__init__(self, *args) self.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Fixed, qt.QSizePolicy.Expanding)) class HorizontalSpacer(qt.QWidget): def __init__(self, *args): qt.QWidget.__init__(self, *args) self.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Expanding, qt.QSizePolicy.Fixed)) class GetFileList(qt.QGroupBox): sigFileListUpdated = qt.pyqtSignal(object) def __init__(self, parent=None, title='File Input', nfiles=1): qt.QGroupBox.__init__(self, parent) self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) self.__maxNFiles = nfiles self.fileList = [] self.setTitle(title) self.build() def build(self, text=""): self._label = qt.QLabel(self) self._label.setText(text) self.__listView = qt.QTextEdit(self) n = int(min(self.__maxNFiles, 10)) self.__listButton = qt.QPushButton(self) self.__listButton.setText('Browse') self.__listView.setMaximumHeight(n*self.__listButton.sizeHint().height()) self.__listButton.clicked.connect(self.__browseList) grid = self.mainLayout grid.addWidget(self._label, 0, 0, qt.Qt.AlignTop|qt.Qt.AlignLeft) grid.addWidget(self.__listView, 0, 1) grid.addWidget(self.__listButton, 0, 2, qt.Qt.AlignTop|qt.Qt.AlignRight) def __browseList(self, dummy=True): return self._browseList() def _browseList(self, filetypes="All Files (*)"): self.inputDir = xrfmc_dirs.inputDir if not os.path.exists(self.inputDir): self.inputDir = os.getcwd() wdir = self.inputDir filedialog = qt.QFileDialog(self) filedialog.setWindowTitle("Open a set of files") filedialog.setDirectory(wdir) filedialog.setModal(1) filedialog.setFileMode(filedialog.ExistingFiles) if self.__maxNFiles == 1: filelist = qt.QFileDialog.getOpenFileName(self, "Open a file", wdir, filetypes) if QTVERSION > "5.0.0": # in PyQt5 the call corresponds to getOpenFileNameAndFilter filelist = filelist[0] if len(filelist): filelist = [filelist] else: filelist = qt.QFileDialog.getOpenFileNames(self, "Open a set of files", wdir, filetypes) if QTVERSION > "5.0.0": # in PyQt5 the call corresponds to getOpenFileNameAndFilter filelist = filelist[0] if len(filelist): filelist = [str(x) for x in filelist] self.setFileList(filelist) def setFileList(self,filelist=None): if filelist is None: filelist = [] text = "" self.fileList = filelist if len(self.fileList): self.fileList.sort() for i in range(len(self.fileList)): ffile = self.fileList[i] if i == 0: text += "%s" % ffile else: text += "\n%s" % ffile if len(self.fileList): self.inputDir = os.path.dirname(qt.safe_str(self.fileList[0])) xrfmc_dirs.inputDir = os.path.dirname(qt.safe_str(self.fileList[0])) self.__listView.clear() self.__listView.insertPlainText(text) ddict = {} ddict['event'] = 'fileListUpdated' ddict['filelist'] = self.fileList * 1 self.sigFileListUpdated.emit(ddict) def getFileList(self): if not len(self.fileList): return [] return self.fileList * 1 class PyMcaFitFileList(GetFileList): def __init__(self, parent=None): GetFileList.__init__(self, parent, title='PyMca Configuruation or Fit Result File') self.build("") def _browseList(self, filetypes=\ "PyMca .cfg Files (*.cfg)\nPyMca .fit Files (*.fit)"): GetFileList._browseList(self, filetypes) class XRFMCProgramFile(GetFileList): def __init__(self, parent=None): GetFileList.__init__(self, parent, title='XMIMSIM-PyMca Program Location') self.build("") if XRFMCHelper.XMIMSIM_PYMCA is not None: self.setFileList([XRFMCHelper.XMIMSIM_PYMCA]) def _browseList(self, filetypes="All Files (*)"): self.inputDir = xrfmc_dirs.inputDir if not os.path.exists(self.inputDir): self.inputDir = os.getcwd() wdir = self.inputDir filedialog = qt.QFileDialog(self) if sys.platform == "darwin": filedialog.setWindowTitle("Select XMI-MSIM application bundle") else: filedialog.setWindowTitle("Select xmimsim-pymca executable") filedialog.setDirectory(wdir) filedialog.setModal(1) filedialog.setFileMode(filedialog.ExistingFiles) if sys.platform == 'darwin': filelist = filedialog.exec_() if filelist: filelist = filedialog.selectedFiles() filelist = filelist[0] xmimsim = os.path.join(qt.safe_str(filelist), "Contents", "Resources", "xmimsim-pymca") filelist = [xmimsim] else: filelist = qt.QFileDialog.getOpenFileName(self, "Selec xmimsim-pymca executable", wdir, filetypes) if QTVERSION > "5.0.0": # in PyQt5 the call corresponds to getOpenFileNameAndFilter filelist = filelist[0] if len(filelist): filelist = [filelist] if len(filelist): self.setFileList(filelist) def setFileList(self, fileList): oldInputDir = xrfmc_dirs.inputDir oldOutputDir = xrfmc_dirs.outputDir if os.path.exists(fileList[0]): GetFileList.setFileList(self, fileList) if oldInputDir is not None: xrfmc_dirs.inputDir = oldInputDir if oldOutputDir is not None: xrfmc_dirs.outputDir = oldOutputDir class XRFMCIniFile(GetFileList): def __init__(self, parent=None): GetFileList.__init__(self, parent, title='XMIMSIM-PyMca Configuration File') self.build("") def _browseList(self, filetypes = "XMIMSIM-PyMca .ini File (*.ini)\nXMIMSIM-PyMca .fit File (*.fit)"): GetFileList._browseList(self, filetypes) class XRFMCOutputDir(GetFileList): def __init__(self, parent=None): GetFileList.__init__(self, parent, title='XMIMSIM-PyMca Output Directory') self.build("") def _browseList(self, filetypes="All Files (*)"): self.outputDir = xrfmc_dirs.outputDir if not os.path.exists(self.outputDir): self.outputDir = os.getcwd() wdir = self.outputDir filedialog = qt.QFileDialog(self) filedialog.setWindowTitle("Open a set of files") filedialog.setDirectory(wdir) filedialog.setModal(1) filedialog.setFileMode(filedialog.DirectoryOnly) filelist = qt.QFileDialog.getExistingDirectory(self, "Please select the output directory", wdir) if len(filelist): filelist = [str(filelist)] self.setFileList(filelist) class XRFMCParameters(qt.QGroupBox): def __init__(self, parent=None, title='XMIMSIM-PyMca Configuration'): qt.QGroupBox.__init__(self, parent) self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) self.setTitle(title) # I should read a default configuration file # for the time being I define it here self.__configuration = {} self.__configuration['xrfmc'] ={} self.__configuration['xrfmc']['setup'] = {} current = self.__configuration['xrfmc']['setup'] current['p_polarisation'] = 0.995 current['source_sample_distance'] = 100.0 current['slit_distance'] = 100.0 current['slit_width_x'] = 0.005 current['slit_width_y'] = 0.005 current['source_size_x'] = 0.0005 current['source_size_y'] = 0.0001 current['source_diverg_x'] = 0.0001 current['source_diverg_y'] = 0.0001 current['nmax_interaction'] = 4 current['layer'] = 1 # these are assumed by the Monte Carlo code current['collimator_height'] = 0.0 current['collimator_diameter'] = 0.0 self.build() self.__update() def build(self): self.__text = ["Photon beam polarisation degree:", "Source horizontal size FWHM (cm):", "Source vertical size FWHM (cm):", "Source horizontal divergence (rad):", "Source vertical divergence (rad):", "Distance beam source to slits (cm):", "Distance beam source to sample (cm):", "Slit width (cm):", "Slit height (cm):", # "Detector acceptance angle (rad):", "Maximum number of sample interactions: ", "Sample layer to be adjusted:"] i = 0 for t in self.__text: label = qt.QLabel(self) label.setText(t) self.mainLayout.addWidget(label, i, 0) i += 1 self.__widgetList = [] #polarisation i = 0 self.polarisationSB = qt.QDoubleSpinBox(self) self.polarisationSB.setRange(0.0, 1.0) self.polarisationSB.setDecimals(5) self.__widgetList.append(self.polarisationSB) self.mainLayout.addWidget(self.polarisationSB, i, 1) i += 1 #source horizontal size self.sourceHSize = qt.QDoubleSpinBox(self) self.sourceHSize.setRange(0.0, 1.0) self.sourceHSize.setDecimals(5) self.__widgetList.append(self.sourceHSize) self.mainLayout.addWidget(self.sourceHSize, i, 1) i += 1 #source vertical size self.sourceVSize = qt.QDoubleSpinBox(self) self.sourceVSize.setRange(0.0, 1.0) self.sourceVSize.setDecimals(5) self.__widgetList.append(self.sourceVSize) self.mainLayout.addWidget(self.sourceVSize, i, 1) i += 1 # Source horizontal divergence self.sourceHDivergence = qt.QDoubleSpinBox(self) self.sourceHDivergence.setDecimals(5) self.sourceHDivergence.setRange(0.0, 3.1415926) self.__widgetList.append(self.sourceHDivergence) self.mainLayout.addWidget(self.sourceHDivergence, i, 1) i += 1 # Source vertical divergence self.sourceVDivergence = qt.QDoubleSpinBox(self) self.sourceVDivergence.setDecimals(5) self.sourceVDivergence.setRange(0.0, 3.14159) self.__widgetList.append(self.sourceVDivergence) self.mainLayout.addWidget(self.sourceVDivergence, i, 1) i += 1 # Distance source sample self.sourceSampleDistance = qt.QDoubleSpinBox(self) self.sourceSampleDistance.setDecimals(5) self.sourceSampleDistance.setRange(0.0001, 100000.0) self.__widgetList.append(self.sourceSampleDistance) self.mainLayout.addWidget(self.sourceSampleDistance, i, 1) i += 1 # Distance source slits self.sourceSlitsDistance = qt.QDoubleSpinBox(self) self.sourceSlitsDistance.setDecimals(5) self.sourceSlitsDistance.setRange(0.0001, 100000.0) self.__widgetList.append(self.sourceSlitsDistance) self.mainLayout.addWidget(self.sourceSlitsDistance, i, 1) i += 1 # Slit H size self.slitsHWidth = qt.QDoubleSpinBox(self) self.slitsHWidth.setDecimals(5) self.slitsHWidth.setRange(0.0001, 100.0) self.__widgetList.append(self.slitsHWidth) self.mainLayout.addWidget(self.slitsHWidth, i, 1) i += 1 # Slit V size self.slitsVWidth = qt.QDoubleSpinBox(self) self.slitsVWidth.setDecimals(5) self.slitsVWidth.setRange(0.0001, 100.0) self.__widgetList.append(self.slitsVWidth) self.mainLayout.addWidget(self.slitsVWidth, i, 1) i += 1 # Detector acceptance angle if 0: # this was used in previous versions of the code self.acceptanceAngle = qt.QDoubleSpinBox(self) self.acceptanceAngle.setDecimals(5) self.acceptanceAngle.setRange(0.0001, 3.14159) self.__widgetList.append(self.acceptanceAngle) self.mainLayout.addWidget(self.acceptanceAngle, i, 1) i += 1 # Maximum number of interactions self.maxInteractions = qt.QSpinBox(self) self.maxInteractions.setMinimum(1) self.__widgetList.append(self.maxInteractions) self.mainLayout.addWidget(self.maxInteractions, i, 1) i += 1 # Layer to be adjusted self.fitLayer = qt.QSpinBox(self) self.fitLayer.setMinimum(0) self.fitLayer.setValue(0) self.__widgetList.append(self.fitLayer) self.mainLayout.addWidget(self.fitLayer, i, 1) i += 1 def setParameters(self, ddict0): if 'xrfmc' in ddict0: ddict = ddict0['xrfmc']['setup'] else: ddict= ddict0 current = self.__configuration['xrfmc']['setup'] keyList = current.keys() for key in keyList: value = ddict.get(key, current[key]) current[key] = value self.__update() return def __update(self): current = self.__configuration['xrfmc']['setup'] key = 'p_polarisation' self.polarisationSB.setValue(current[key]) key = 'source_diverg_x' self.sourceHDivergence.setValue(current[key]) key = 'source_diverg_y' self.sourceVDivergence.setValue(current[key]) key = 'source_sample_distance' self.sourceSampleDistance.setValue(current[key]) key = 'slit_distance' self.sourceSlitsDistance.setValue(current[key]) key = 'slit_width_x' self.slitsHWidth.setValue(current[key]) key = 'slit_width_y' self.slitsVWidth.setValue(current[key]) key = 'source_size_x' self.sourceHSize.setValue(current[key]) key = 'source_size_y' self.sourceVSize.setValue(current[key]) if 0: key = 'detector_acceptance_angle' self.acceptanceAngle.setValue(current[key]) key = 'nmax_interaction' self.maxInteractions.setValue(current[key]) key = 'layer' self.fitLayer.setValue(current[key] - 1) def getParameters(self): current = self.__configuration['xrfmc']['setup'] key = 'p_polarisation' current[key] = self.polarisationSB.value() key = 'source_diverg_x' current[key] = self.sourceHDivergence.value() key = 'source_diverg_y' current[key] = self.sourceVDivergence.value() key = 'source_sample_distance' current[key] = self.sourceSampleDistance.value() key = 'slit_distance' current[key] = self.sourceSlitsDistance.value() key = 'slit_width_x' current[key] = self.slitsHWidth.value() key = 'slit_width_y' current[key] = self.slitsVWidth.value() key = 'source_size_x' current[key] = self.sourceHSize.value() key = 'source_size_y' current[key] = self.sourceVSize.value() if 0: # used in older versions key = 'detector_acceptance_angle' current[key] = self.acceptanceAngle.value() key = 'nmax_interaction' current[key] = self.maxInteractions.value() key = 'layer' current[key] = self.fitLayer.value() + 1 return self.__configuration def getLabelsAndValues(self): labels = self.__text i = 0 values = [] for w in self.__widgetList: values.append(w.value()) i += 1 return labels, values class XRFMCSimulationControl(qt.QGroupBox): def __init__(self, parent=None, fit=False): qt.QGroupBox.__init__(self, parent) self.setTitle("Simulation Control") self._fit = fit self.build() def build(self): self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) i = 0 if 0: label = qt.QLabel(self) label.setText("Run Number (0 for first run):") self.__runNumber = qt.QSpinBox(self) self.__runNumber.setMinimum(0) self.__runNumber.setValue(0) self.mainLayout.addWidget(label, i, 0) self.mainLayout.addWidget(self.__runNumber, i, 1) i += 1 if self._fit: label = qt.QLabel(self) label.setText("Select simulation or fit mode:") self._simulationMode = qt.QComboBox(self) self._simulationMode.setEditable(False) self._simulationMode.addItem("Simulation") self._simulationMode.addItem("Fit") self.mainLayout.addWidget(label, i, 0) self.mainLayout.addWidget(self._simulationMode, i, 1) i += 1 if 1: label = qt.QLabel(self) label.setText("Number of histories:") self.__nHistories = qt.QSpinBox(self) self.__nHistories.setMinimum(1000) self.__nHistories.setMaximum(10000000) self.__nHistories.setValue(100000) self.__nHistories.setSingleStep(50000) self.mainLayout.addWidget(label, i, 0) self.mainLayout.addWidget(self.__nHistories, i, 1) i += 1 def getParameters(self): ddict = {} if 0: ddict['run'] = self.__runNumber.value() ddict['histories'] = self.__nHistories.value() return ddict def setParameters(self, ddict0): if 'xrfmc' in ddict0: ddict = ddict0['xrfmc']['setup'] else: ddict= ddict0 if 'histories' in ddict: self.__nHistories.setValue(int(ddict['histories'])) def getSimulationMode(self): current = self._simulationMode.currentIndex() if current: mode = "Fit" else: mode = "Simulation" return mode def setSimulationMode(self, mode=""): current = 0 if hasattr(mode, "lower"): if mode.lower() == "fit": current = 1 self._simulationMode.setCurrentIndex(current) class XRFMCTabWidget(qt.QWidget): def __init__(self, parent=None): qt.QWidget.__init__(self, parent) self.setWindowTitle("XRFMC Tab Widget") self.build() def build(self): self.mainLayout = qt.QVBoxLayout(self) self.programWidget = XRFMCProgramFile(self) self.parametersWidget = XRFMCParameters(self) self.simulationWidget = XRFMCSimulationControl(self, fit=False) self.mainLayout.addWidget(self.programWidget) self.mainLayout.addWidget(self.parametersWidget) self.mainLayout.addWidget(self.simulationWidget) self.mainLayout.addWidget(VerticalSpacer(self)) def getParameters(self): ddict = self.parametersWidget.getParameters() program = self.programWidget.getFileList() control = self.simulationWidget.getParameters() ddict['xrfmc']['setup']['histories'] = control['histories'] if len(program) > 0: ddict['xrfmc']['program'] = program[0] else: ddict['xrfmc']['program'] = None return ddict def setParameters(self, ddict): self.parametersWidget.setParameters(ddict) if ddict['xrfmc']['program'] not in ["None", None, ""]: self.programWidget.setFileList([ddict['xrfmc']['program']]) self.simulationWidget.setParameters(ddict) class XRFMCActions(qt.QWidget): def __init__(self, parent=None): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QHBoxLayout(self) self.startButton = qt.QPushButton(self) self.startButton.setText("Start") self.startButton.setAutoDefault(False) self.dismissButton = qt.QPushButton(self) self.dismissButton.setText("Dismiss") self.dismissButton.setAutoDefault(False) self.mainLayout.addWidget(self.startButton) self.mainLayout.addWidget(HorizontalSpacer(self)) self.mainLayout.addWidget(self.dismissButton) class XRFMCPyMca(qt.QWidget): def __init__(self, parent=None): qt.QWidget.__init__(self, parent) self.setWindowTitle("XMIMSIM-PyMca") self.fitConfiguration = None self.logWidget = None #self._loggedProcess = None self.build() self.buildConnections() def build(self): self.mainLayout = qt.QGridLayout(self) self.programWidget = XRFMCProgramFile(self) self.fitFileWidget = PyMcaFitFileList(self) #self.iniFileWidget = XRFMCIniFile(self) self.outputDirWidget = XRFMCOutputDir(self) self.parametersWidget = XRFMCParameters(self) self.simulationWidget = XRFMCSimulationControl(self, fit=True) self.actions = XRFMCActions(self) self.logWidget = SubprocessLogWidget.SubprocessLogWidget() self.logWidget.setMinimumWidth(400) i = 0 self.mainLayout.addWidget(self.programWidget, i, 0) i += 1 self.mainLayout.addWidget(self.fitFileWidget, i, 0) i += 1 #self.mainLayout.addWidget(self.iniFileWidget, i, 0) #i += 1 self.mainLayout.addWidget(self.outputDirWidget, i, 0) i += 1 self.mainLayout.addWidget(self.parametersWidget, i, 0) i += 1 self.mainLayout.addWidget(self.simulationWidget, i, 0) i += 1 self.mainLayout.addWidget(self.actions, i, 0) i += 1 self.mainLayout.addWidget(VerticalSpacer(self), i,0) i += 1 self.mainLayout.addWidget(self.logWidget, 0, 1, i, 1) i += 1 def buildConnections(self): self.fitFileWidget.sigFileListUpdated.connect(self.fitFileChanged) self.actions.startButton.clicked.connect(self.start) self.actions.dismissButton.clicked.connect(self.close) self.logWidget.sigSubprocessLogWidgetSignal.connect(\ self.subprocessSlot) def closeEvent(self, event): if self._closeDialog(): event.accept() else: event.ignore() def _closeDialog(self): if self.logWidget is None: close = True elif self.logWidget.isSubprocessRunning(): msg = qt.QMessageBox(self) msg.setWindowTitle("Simulation going on") msg.setIcon(qt.QMessageBox.Information) msg.setText("Do you want to stop on-going simulation?") msg.setStandardButtons(qt.QMessageBox.Yes|qt.QMessageBox.No) answer=msg.exec_() if answer == qt.QMessageBox.Yes: self.logWidget.stop() close = True else: print("NOT KILLING") close = False else: close = True return close def errorMessage(self, text, title='ERROR'): qt.QMessageBox.critical(self, title, text) def fitFileChanged(self, ddict): #for the time being only one ... fitfile= ddict['filelist'][0] self.fitConfiguration = ConfigDict.ConfigDict() self.fitConfiguration.read(fitfile) if 'result' in self.fitConfiguration: matrix = self.fitConfiguration['result']\ ['config']['attenuators'].get('Matrix', None) else: matrix = self.fitConfiguration\ ['attenuators'].get('Matrix', None) if matrix is None: text = 'Undefined sample matrix in file %s' % fitfile title = "Invalid Matrix" self.errorMessage(text, title) return if matrix[0] != 1: text = 'Undefined sample matrix in file %s' % fitfile title = "Matrix not considered in fit" self.errorMessage(text, title) return if matrix[1] == '-': text = 'Invalid sample Composition "%s"' % matrix[1] title = "Invalid Sample" self.errorMessage(text, title) return if 'xrfmc' in self.fitConfiguration: if 'setup' in self.fitConfiguration['xrfmc']: self.parametersWidget.setParameters(self.fitConfiguration) if matrix[1] != "MULTILAYER": self.parametersWidget.setParameters({'layer':1}) self.parametersWidget.fitLayer.setMaximum(0) def configurationFileChanged(self, ddict): configFile= ddict['filelist'][0] configuration = ConfigDict.ConfigDict() configuration.read(configFile) if not ('setup' in configuration['xrfmc']): title = "Invalid file" text = "Invalid configuration file." self.errorMessage(text, title) else: self.parametersWidget.setParameters(configuration['xrfmc']['setup']) def errorMessage(self, text, title=None): msg = qt.QMessageBox(self) if title is not None: msg.setWindowTitle(title) msg.setIcon(qt.QMessageBox.Critical) msg.setText(text) msg.exec_() def start(self): try: self._start() except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setWindowTitle("Plugin error") msg.setText("An error has occured while executing the plugin:") msg.setInformativeText(str(sys.exc_info()[1])) msg.setDetailedText(traceback.format_exc()) msg.exec_() def _start(self): """ """ if self.logWidget is not None: if self.logWidget.isSubprocessRunning(): text = "A simulation is already started\n" self.errorMessage(text) return pymcaFitFile = self.fitFileWidget.getFileList() if len(pymcaFitFile) < 1: text = "PyMca .fit or .cfg file is mandatory\n" self.errorMessage(text) return pymcaFitFile = pymcaFitFile[0] program = self.programWidget.getFileList() if len(program) < 1: text = "Simulation program file is mandatory\n" self.errorMessage(text) return program = program[0] #This one would only be needed for backup purposes #self.iniFileWidget.getFileList() #The output directory outputDir = self.outputDirWidget.getFileList() if len(outputDir) < 1: text = "Output directory is mandatory\n" self.errorMessage(text) return #the actual parameters to be used ddict = self.parametersWidget.getParameters() #the output directory ddict['xrfmc']['setup']['output_dir'] = outputDir[0] self.__outputDir = outputDir[0] #the simulation parameters simPar = self.simulationWidget.getParameters() ddict['xrfmc']['setup']['histories'] = simPar['histories'] #write a file containing both, PyMca and XRFMC configuration in output dir if pymcaFitFile.lower().endswith(".cfg"): # not a fit result but a configuration file # but this does not work newFile=ConfigDict.ConfigDict() newFile.read(pymcaFitFile) #perform a dummy fit till xmimsim-pymca is upgraded if 0: import numpy from PyMca import ClassMcaTheory newFile['fit']['linearfitflag']=1 newFile['fit']['stripflag']=0 newFile['fit']['stripiterations']=0 xmin = newFile['fit']['xmin'] xmax = newFile['fit']['xmax'] #xdata = numpy.arange(xmin, xmax + 1) * 1.0 xdata = numpy.arange(0, xmax + 1) * 1.0 ydata = 0.0 + 0.1 * xdata mcaFit = ClassMcaTheory.McaTheory() mcaFit.configure(newFile) mcaFit.setData(x=xdata, y=ydata, xmin=xmin, xmax=xmax) mcaFit.estimate() fitresult,result = mcaFit.startfit(digest=1) newFile = None nfile=ConfigDict.ConfigDict() nfile['result'] = result #nfile.write("tmpFitFileFromConfig.fit") else: nfile = ConfigDict.ConfigDict() nfile.read(pymcaFitFile) nfile.update(ddict) newFile = os.path.join(outputDir[0],\ os.path.basename(pymcaFitFile[:-4] + ".fit")) else: nfile = ConfigDict.ConfigDict() nfile.read(pymcaFitFile) nfile.update(ddict) newFile = os.path.join(outputDir[0],\ os.path.basename(pymcaFitFile)) if os.path.exists(newFile): os.remove(newFile) nfile.write(newFile) nfile = None fileNamesDict = XRFMCHelper.getOutputFileNames(newFile, outputDir=outputDir[0]) if newFile != fileNamesDict['fit']: raise ValueError("Inconsistent internal behaviour!") scriptName = fileNamesDict['script'] scriptFile = XRFMCHelper.getScriptFile(program, name=scriptName) csvName = fileNamesDict['csv'] speName = fileNamesDict['spe'] xmsoName = fileNamesDict['xmso'] # basic parameters args = [scriptFile, #"--enable-single-run", "--verbose", "--spe-file=%s" % speName, "--csv-file=%s" % csvName, #"--enable-roi-normalization", #"--disable-roi-normalization", #default #"--enable-pile-up" #"--disable-pile-up" #default #"--enable-poisson", #"--disable-poisson", #default no noise #"--set-threads=2", #overwrite default maximum newFile, xmsoName] self.__fileNamesDict = fileNamesDict # additionalParameters if self.simulationWidget.getSimulationMode().lower() == "fit": simulationParameters = [] else: simulationParameters = ["--enable-single-run", "--set-threads=2"] i = 0 for parameter in simulationParameters: i += 1 args.insert(1, parameter) # show the command on the log widget text = "%s" % scriptFile for arg in args[1:]: text += " %s" % arg self.logWidget.clear() self.logWidget.append(text) self.logWidget.start(args=args) def subprocessSlot(self, ddict): if ddict['event'] == "ProcessStarted": # we do not need a direct handle to the process #self._loggedProcess = ddict['subprocess'] return if ddict['event'] == "ProcessFinished": returnCode = ddict['code'] msg = qt.QMessageBox(self) msg.setWindowTitle("Simulation finished") if returnCode == 0: msg.setIcon(qt.QMessageBox.Information) text = "Simulation finished, output written to the directory:\n" text += "%s" % self.__outputDir else: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) text = "Simulation finished with error code %d\n" % (returnCode) for line in ddict['message']: text += line msg.setText(text) msg.exec_() xmsoName = self.__fileNamesDict['xmso'] if __name__ == "__main__": app = qt.QApplication([]) app.lastWindowClosed.connect(app.quit) w = XRFMCPyMca() w.show() app.exec_() ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/physics/xrf/PeakIdentifier.py������������������������������������������0000644�0002763�0000175�00000025264�13173367502�023235� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaPhysics import Elements from PyMca5.PyMcaGui import PyMca_Icons IconDict = PyMca_Icons.IconDict QTVERSION = qt.qVersion() DEBUG = 0 class PeakIdentifier(qt.QWidget): sigPeakIdentifierSignal = qt.pyqtSignal(object) def __init__(self,parent=None,energy=None,threshold=None,useviewer=None, name="Peak Identifier"): qt.QWidget.__init__(self, parent) self.setWindowTitle(name) self.setWindowIcon(qt.QIcon(qt.QPixmap(IconDict['gioconda16']))) if energy is None: energy = 5.9 if threshold is None: threshold = 0.030 if useviewer is None: useviewer = 0 self.__useviewer = useviewer layout = qt.QVBoxLayout(self) #heading self.__energyHBox=qt.QWidget(self) hbox = self.__energyHBox hbox.layout = qt.QHBoxLayout(hbox) hbox.layout.setContentsMargins(0, 0, 0, 0) hbox.layout.setSpacing(0) layout.addWidget(hbox) hbox.layout.addWidget(qt.HorizontalSpacer(hbox)) l1=qt.QLabel(hbox) l1.setText('<b><nobr>Energy (keV)</nobr></b>') hbox.layout.addWidget(l1) self.energy=MyQLineEdit(hbox) self.energy.setText("%.3f" % energy) self.energy._validator = qt.QDoubleValidator(self.energy) self.energy.setValidator(self.energy._validator) self.energy.setToolTip('Press enter to validate your energy') hbox.layout.addWidget(self.energy) hbox.layout.addWidget(qt.HorizontalSpacer(hbox)) self.energy.editingFinished.connect(self._energySlot) #parameters self.__hbox2 = qt.QWidget(self) hbox2 = self.__hbox2 layout.addWidget(hbox2) hbox2.layout = qt.QHBoxLayout(hbox2) hbox2.layout.setContentsMargins(0, 0, 0, 0) hbox2.layout.setSpacing(0) font=hbox2.font() font.setBold(1) hbox2.setFont(font) l2=qt.QLabel(hbox2) l2.setText('Energy Threshold (eV)') self.threshold=qt.QSpinBox(hbox2) self.threshold.setMinimum(0) self.threshold.setMaximum(1000) self.threshold.setValue(int(threshold*1000)) self.k = qt.QCheckBox(hbox2) self.k.setText('K') self.k.setChecked(1) self.l1 = qt.QCheckBox(hbox2) self.l1.setText('L1') self.l1.setChecked(1) self.l2 = qt.QCheckBox(hbox2) self.l2.setText('L2') self.l2.setChecked(1) self.l3 = qt.QCheckBox(hbox2) self.l3.setText('L3') self.l3.setChecked(1) self.m = qt.QCheckBox(hbox2) self.m.setText('M') self.m.setChecked(1) self.threshold.valueChanged[int].connect(self._thresholdSlot) self.k.clicked.connect(self.mySlot) self.l1.clicked.connect(self.mySlot) self.l2.clicked.connect(self.mySlot) self.l3.clicked.connect(self.mySlot) self.m.clicked.connect(self.mySlot) hbox2.layout.addWidget(l2) hbox2.layout.addWidget(self.threshold) hbox2.layout.addWidget(self.k) hbox2.layout.addWidget(self.l1) hbox2.layout.addWidget(self.l2) hbox2.layout.addWidget(self.l3) hbox2.layout.addWidget(self.m) if self.__useviewer: self.__browsertext = qt.QTextEdit(self) layout.addWidget(self.__browsertext) self.setEnergy(energy) def setEnergy(self, energy = None): if energy is None: energy = 5.9 if type(energy) == type(""): self.energy.setText("%s" % energy) self._energySlot() else: self.energy.setText("%.3f" % energy) self.mySlot(energy=energy) def _energySlot(self): qstring = self.energy.text() try: value = float(qt.safe_str(qstring)) self.energyvalue = value self.mySlot() self.energy.setPaletteBackgroundColor(qt.Qt.white) cursor = self.__browsertext.textCursor() cursor.movePosition(qt.QTextCursor.Start) self.__browsertext.setTextCursor(cursor) self.threshold.setFocus() except: msg=qt.QMessageBox(self.energy) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Invalid Float") msg.setWindowTitle("Invalid entry") msg.exec_() self.energy.setFocus() return def myslot(self): print("PeakIdentifier.py myslot deprecated, use mySlot") return self.mySlot() def _thresholdSlot(self, value): self.mySlot() def mySlot(self, energy=None): if energy is None: try: energy = float(qt.safe_str(self.energy.text())) except ValueError: msg=qt.QMessageBox(self.energy) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Invalid Energy Value") msg.setWindowTitle("Invalid energy") msg.exec_() self.energy.setFocus() return threshold = float(self.threshold.value())/1000. lines=[] if self.k.isChecked(): lines.append('K') if self.l1.isChecked(): lines.append('L1') if self.l2.isChecked(): lines.append('L2') if self.l3.isChecked(): lines.append('L3') if self.m.isChecked(): lines.append('M') ddict=Elements.getcandidates(energy,threshold,lines)[0] ddict['text'] =self.getHtmlText(ddict) ddict['event']='Candidates' ddict['lines']=lines if self.__useviewer: self.__browsertext.clear() #self.__browsertext.insertHtml("<CENTER>"+dict['text']+\ # "</CENTER>") self.__browsertext.insertHtml(ddict['text']) self.sigPeakIdentifierSignal.emit(ddict) def getHtmlText(self, ddict): text = "" if QTVERSION < '4.0.0': text += "<br>" labels=['Element','Line','Energy','Rate'] lemmon=("#%x%x%x" % (255,250,205)) lemmon = lemmon.upper() hcolor = ("#%x%x%x" % (230,240,249)) hcolor = hcolor.upper() text+="<CENTER>" text+=("<nobr>") text+=( "<table WIDTH=80%%>") text+=( "<tr>") for l in labels: text+=('<td align="left" bgcolor="%s"><b>' % hcolor) text+=l text+=("</b></td>") text+=("</tr>") for ele in ddict['elements']: oldline="" for line in ddict[ele]: if line[0][0:1] == 'K': group0 = 'K rays' elif line[0][0:2] == 'L1': group0 = 'L1 rays' elif line[0][0:2] == 'L2': group0 = 'L2 rays' elif line[0][0:2] == 'L3': group0 = 'L3 rays' elif line[0][0:1] == 'M': group0 = 'M rays' else: group0 = 'Unknown' if group0 != oldline: text +="<tr>" text += '<td align="left"><b>%s</b></td>' % ele text += '<td align="left"><b>%s</b></td>' % group0 text += '</tr>' oldline = group0 #for peak in result[group]['peaks']: text += '<tr><td></td>' name = line[0] energy = ("%.3f" % line[1]) ratio = ("%.5f" % line[2]) fields = [name,energy,ratio] for field in fields: if field == name: text+=('<td align="left" bgcolor="%s">%s</td>' % (lemmon,field)) else: text+=('<td align="right" bgcolor="%s">%s</td>' % (lemmon,field)) text+="</tr>" text+=("</table>") text+=("</nobr>") text+="</CENTER>" return text class MyQLineEdit(qt.QLineEdit): def __init__(self,parent=None,name=None): qt.QLineEdit.__init__(self,parent) self.setAutoFillBackground(True) def setPaletteBackgroundColor(self, color): palette = qt.QPalette() role = self.backgroundRole() palette.setColor(role,color) self.setPalette(palette) def focusInEvent(self,event): self.setPaletteBackgroundColor(qt.QColor('yellow')) # TODO not like focusOutEvent ? ''' if QTVERSION > '4.0.0': qt.QLineEdit.focusInEvent(self, event) ''' def focusOutEvent(self,event): self.setPaletteBackgroundColor(qt.QColor('white')) qt.QLineEdit.focusOutEvent(self, event) def main(): app = qt.QApplication(sys.argv) winpalette = qt.QPalette(qt.QColor(230,240,249),qt.QColor(238,234,238)) app.setPalette(winpalette) if len(sys.argv) > 1: ene = float(sys.argv[1]) else: ene = 5.9 mw = qt.QWidget() l = qt.QVBoxLayout(mw) l.setSpacing(0) w= PeakIdentifier(mw,energy=ene,useviewer=1) l.addWidget(w) mw.setWindowTitle("Peak Identifier") mw.show() app.exec_() if __name__ == "__main__": main() ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/physics/xrf/PeakTableWidget.py�����������������������������������������0000644�0002763�0000175�00000055673�13136054446�023354� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys from PyMca5.PyMcaGui import PyMcaQt as qt if hasattr(qt, "QStringList"): QStringList = qt.QStringList else: def QStringList(): return [] if hasattr(qt, "QString"): QString = qt.QString else: QString = str from PyMca5.PyMcaPhysics import Elements DEBUG=0 QTable = qt.QTableWidget class QComboTableItem(qt.QComboBox): sigCellChanged = qt.pyqtSignal(int,int) def __init__(self, parent=None, row = None, col = None): self._row = row self._col = col qt.QComboBox.__init__(self,parent) self.activated[int].connect(self._cellChanged) def _cellChanged(self, idx): if DEBUG: print("cell changed",idx) self.sigCellChanged.emit(self._row, self._col) class QCheckBoxItem(qt.QCheckBox): sigCellChanged = qt.pyqtSignal(int, int) def __init__(self, parent=None, row = None, col = None): self._row = row self._col = col qt.QCheckBox.__init__(self,parent) self.clicked.connect(self._cellChanged) def _cellChanged(self): self.sigCellChanged.emit(self._row, self._col) class PeakTableWidget(QTable): sigPeakTableWidgetSignal = qt.pyqtSignal(object) def __init__(self, *args,**kw): QTable.__init__(self, *args) self.setRowCount(0) self.labels=['Peak','Channel','Element','Line', 'Energy','Use','Calc. Energy'] self.setColumnCount(len(self.labels)) if 'labels' in kw: self.labels = kw['labels'] for i in range(len(self.labels)): item = self.horizontalHeaderItem(i) if item is None: item = qt.QTableWidgetItem(self.labels[i], qt.QTableWidgetItem.Type) item.setText(self.labels[i]) self.setHorizontalHeaderItem(i,item) self.peaks={} self.peaklist=[] if 'peaklist' in kw: self.peaklist = kw['peaklist'] self.build() self.cellChanged[int,int].connect(self.myslot) rheight = self.horizontalHeader().sizeHint().height() for idx in range(self.rowCount()): self.setRowHeight(idx, rheight) def build(self): line = 1 oldlist=list(self.peaklist) self.peaklist=[] for peak in oldlist: self.newpeakline(peak,line) line=line+1 self.resizeColumnToContents(0) #self.resizeColumnToContents(1) #self.resizeColumnToContents(2) self.resizeColumnToContents(5) def clearPeaks(self): self.peaks = {} self.peaklist = [] self.setRowCount(0) def newpeakline(self,peak,line): #get current number of lines nlines=self.rowCount() #if the number of lines is smaller than line resize table if (line > nlines): self.setRowCount(line) linew=line-1 self.peaks[peak]={ 'line':linew, 'fields':['number', 'channel', 'element', 'elementline', 'setenergy', 'use', 'calenergy'], 'number': QString('1'), 'channel': QString('0'), 'element': QString('-'), 'elementline':QString('-'), 'setenergy': QString('0'), 'use': 0, 'calenergy': QString()} self.peaklist.append(peak) self.setReadWrite(peak,'setenergy') self.setReadWrite(peak,'channel') self.setReadOnly (peak,['number','line','calenergy']) col = self.peaks[peak]['fields'].index('element') self.peaks[peak]['element_item']=QPeriodicComboTableItem(self, row = linew, col= col) self.setCellWidget(linew, col, self.peaks[peak]['element_item']) self.peaks[peak]['element_item'].sigCellChanged[int,int].connect( \ self.myslot) a = QStringList() a.append('-') col = self.peaks[peak]['fields'].index('elementline') self.peaks[peak]['elementline_item']= QComboTableItem(self, row = linew, col = col) self.peaks[peak]['elementline_item'].addItems(a) self.setCellWidget(linew, col, self.peaks[peak]['elementline_item']) self.peaks[peak]['elementline_item'].sigCellChanged[int,int].connect( \ self.myslot) col = self.peaks[peak]['fields'].index('use') self.peaks[peak]['use_item'] = QCheckBoxItem(self, row = linew, col = col) self.peaks[peak]['use_item'].setText("") self.setCellWidget(linew, col, self.peaks[peak]['use_item']) self.peaks[peak]['use_item'].sigCellChanged[int,int].connect( \ self.myslot) self.peaks[peak]['use_item'].setChecked(self.peaks[peak]['use']) def myslot(self, row, col): if DEBUG: print("Passing by myslot", self.peaks[self.peaklist[row]]['fields'][col]) peak=self.peaklist[row] field=self.peaks[peak]['fields'][col] if (field == "element") or (field == "elementline"): key = field+"_item" newvalue=self.peaks[peak][key].currentText() elif field == "use": pass else: newvalue = self.item(row, col).text() if field == "element": if str(newvalue) == '-': #no element #set line to - options = QStringList() options.append('-') self.peaks[peak]["elementline_item"].insertItems(0, options) self.peaks[peak]["elementline_item"].setCurrentIndex(0) else: #get the emission energies ele = str(newvalue).split()[0] options = QStringList() energies = QStringList() options.append('-') energies.append('0.000') emax = 0.0 for rays in Elements.Element[ele]['rays']: for transition in Elements.Element[ele][rays]: options.append("%s (%.5f)" % (transition, Elements.Element[ele][transition]['rate'])) energies.append("%.5f " % (Elements.Element[ele][transition]['energy'])) emax = max(emax,Elements.Element[ele][transition]['rate']) energies[0] = "%.5f " % emax #lineitem=qttable.QComboTableItem(self,options) self.peaks[peak]["elementline_item"].insertItems(0, options) self.peaks[peak]["elementline_item"].setCurrentIndex(0) #self.setItem(row, # col+1, # lineitem) self.peaks[peak][field] = newvalue if field == "elementline": if str(newvalue) == '-': #no element #set energy to rw self.setReadWrite(peak,'setenergy') else: #get the element energy #newvalue=QString(self.text(row,col-1)) elevalue=self.peaks[peak]["element_item"].currentText() ele = str(elevalue).split()[0] energy = "0.0" for rays in Elements.Element[ele]['rays']: for transition in Elements.Element[ele][rays]: option = QString("%s (%.5f)" % (transition, Elements.Element[ele][transition]['rate'])) if option == newvalue: energy = "%.5f " % (Elements.Element[ele][transition]['energy']) break if energy == "0.0": print("Something is wrong") else: self.configure(name=peak,setenergy=energy) self.setReadOnly(peak,'setenergy') self.peaks[peak][field] = newvalue if field == "setenergy": oldvalue = self.peaks[peak]["setenergy"] try: value = float(str(newvalue)) except: print(field, " newvalue = ", newvalue, "taking old value", oldvalue) item = self.item(row, col) item.setText("%s" % oldvalue) value = float(str(oldvalue)) self.peaks[peak][field] = value ddict={} ddict['event'] = 'use' self.sigPeakTableWidgetSignal.emit(ddict) if field == "channel": oldvalue = self.peaks[peak]["channel"] try: value = float(str(newvalue)) except: print(field, " newvalue = ", newvalue, "taking old value", oldvalue) item = self.item(row, col) item.setText("%s" % oldvalue) value = float(str(oldvalue)) self.peaks[peak][field] = value ddict={} ddict['event'] = 'use' self.sigPeakTableWidgetSignal.emit(ddict) if field == "use": if self.peaks[peak][field+"_item"].isChecked(): self.peaks[peak][field] = 1 else: self.peaks[peak][field] = 0 ddict={} ddict['event'] = 'use' self.sigPeakTableWidgetSignal.emit(ddict) def setReadOnly(self,parameter,fields): if DEBUG: print("peak ",parameter,"fields = ",fields,"asked to be read only") self.setfield(parameter, fields, qt.Qt.ItemIsSelectable|qt.Qt.ItemIsEnabled) def setReadWrite(self,parameter,fields): if DEBUG: print("peak ",parameter,"fields = ",fields,"asked to be read write") self.setfield(parameter, fields, qt.Qt.ItemIsEditable|qt.Qt.ItemIsSelectable|qt.Qt.ItemIsEnabled) def setfield(self,peak,fields,EditType): if DEBUG: print("setfield. peak =",peak,"fields = ",fields) if type(peak) == type (()) or \ type(peak) == type ([]): peaklist=peak else: peaklist=[peak] if type(fields) == type (()) or \ type(fields) == type ([]): fieldlist=fields else: fieldlist=[fields] for peak in peaklist: if peak in self.peaklist: try: row=self.peaklist.index(peak) except ValueError: row=-1 if row >= 0: for field in fieldlist: if field in self.peaks[peak]['fields']: col=self.peaks[peak]['fields'].index(field) if (field != 'element') and (field != 'elementline'): key=field+"_item" item = self.item(row, col) text = "%s" % self.peaks[peak][field] if item is None: item = qt.QTableWidgetItem(text, qt.QTableWidgetItem.Type) self.setItem(row, col, item) else: item.setText(str(text)) item.setFlags(EditType) def configure(self,*vars,**kw): if DEBUG: print("configure called with **kw = ",kw) print("configure called with *vars = ",vars) name=None error=0 if 'name' in kw: name=kw['name'] elif 'number' in kw: name=kw['number'] else: return 1 keylist = [] if "channel" in kw: keylist=["channel"] for key in kw.keys(): if key != "setenergy": if key not in keylist: keylist.append(key) if "setenergy" in kw.keys(): keylist.append("setenergy") if name in self.peaks: row=self.peaks[name]['line'] for key in keylist: if key is not 'name': if key in self.peaks[name]['fields']: col=self.peaks[name]['fields'].index(key) oldvalue=self.peaks[name][key] if key is 'code': newvalue = QString(str(kw[key])) elif key is 'element': newvalue = str(kw[key]).split()[0] if newvalue == "-": self.peaks[name][key+"_item"].setCurrentIndex(0) else: self.peaks[name][key+"_item"].setSelection(newvalue) try: self.myslot(row,col) except: print("Error setting element") elif key is 'elementline': try: iv = self.peaks[name][key+"_item"].findText(QString(kw[key])) self.peaks[name][key+"_item"].setCurrentIndex(iv) except: print("Error setting elementline") elif key is 'use': if kw[key]: self.peaks[name][key] = 1 else: self.peaks[name][key] = 0 self.peaks[name][key+"_item"].setChecked(self.peaks[name][key]) elif key == 'number': if len(str(kw[key])): newvalue=float(str(kw[key])) newvalue= QString("%3d" % newvalue) self.peaks[name][key]=newvalue else: self.peaks[name][key]=oldvalue text = self.peaks[name][key] item = self.item(row, col) if item is None: item = qt.QTableWidgetItem(text, qt.QTableWidgetItem.Type) self.setItem(row, col, item) else: item.setText(text) elif key == 'channel': if DEBUG: print("setting channel in configure") if len(str(kw[key])): newvalue=float(str(kw[key])) newvalue= QString("%.3f" % newvalue) self.peaks[name][key]=newvalue else: self.peaks[name][key]=oldvalue text = self.peaks[name][key] item = self.item(row, col) if item is None: item = qt.QTableWidgetItem(text, qt.QTableWidgetItem.Type) self.setItem(row, col, item) else: item.setText(text) elif (key == 'setenergy') or (key == 'calenergy'): if len(str(kw[key])): newvalue=float(str(kw[key])) newvalue= QString("%.4f" % newvalue) self.peaks[name][key]=newvalue else: self.peaks[name][key]=oldvalue text = self.peaks[name][key] item = self.item(row, col) if item is None: item = qt.QTableWidgetItem(text, qt.QTableWidgetItem.Type) self.setItem(row, col, item) else: item.setText(text) #self.myslot(row,col) else: if len(str(kw[key])): newvalue=float(str(kw[key])) if key is 'sigma': newvalue= "%6.3g" % newvalue else: newvalue= "%8g" % newvalue else: newvalue="" newvalue=QString(newvalue) return error def validate(self,name,key,oldvalue,newvalue): if (key == 'setenergy') or (key == 'number') or (key == 'calcenergy'): try: float(str(newvalue)) except: return 0 return 1 def getdict(self, *var): print("PeakTableWidget.getdict deprecated. Use getDict") return self.getDict(*var) def getDict(self,*var): ddict={} if len(var) == 0: #asked for the dict of dicts for peak in self.peaks.keys(): ddict[peak] = {} ddict[peak]['number'] = float(str(self.peaks[peak]['number'])) ddict[peak]['channel'] = float(str(self.peaks[peak]['channel'])) ddict[peak]['element'] = str(self.peaks[peak]['element']) ddict[peak]['elementline'] = str(self.peaks[peak]['elementline']) ddict[peak]['setenergy'] = float(str(self.peaks[peak]['setenergy'])) ddict[peak]['use'] = self.peaks[peak]['use'] if len(str(self.peaks[peak]['calenergy'])): ddict[peak]['calenergy'] = float(str(self.peaks[peak]['calenergy'])) else: ddict[peak]['calenergy'] = "" else: peak=var[0] if peak in self.peaks.keys(): ddict['number'] = float(str(self.peaks[peak]['number'])) ddict['channel'] = float(str(self.peaks[peak]['channel'])) ddict['element'] = str(self.peaks[peak]['element']) ddict['elementline'] = str(self.peaks[peak]['elementline']) ddict['setenergy'] = float(str(self.peaks[peak]['setenergy'])) ddict['use'] = self.peaks[peak]['use'] if len(str(self.peaks[peak]['calenergy'])): ddict['calenergy'] = float(str(self.peaks[peak]['calenergy'])) else: ddict['calenergy'] = "" return ddict class QPeriodicComboTableItem(QComboTableItem): """ Periodic Table Combo List to be used in a QTable Init options: table (mandatory)= parent QTable addnone= 1 (default) add "-" in the list to provide possibility to select no specific element. 0 only element list. detailed= 1 (default) display element symbol, Z and name 0 display only element symbol and Z Public methods: setSelection(eltsymbol): Set the element selected given its symbol getSelection(): Return symbol of element selected Signals: sigValueChanged(int,int) """ sigValueChanged = qt.pyqtSignal(int, int) def __init__(self, table=None, addnone=1, detailed=0, row=None, col=None): strlist = QStringList() self.addnone= (addnone==1) if self.addnone: strlist.append("-") for (symbol, Z, x, y, name, mass, density) in Elements.ElementsInfo: if detailed: txt= "%2s (%d) - %s"%(symbol, Z, name) else: txt= "%2s (%d)"%(symbol, Z) strlist.append(txt) if row is None: row = 0 if col is None: col = 0 self._row = row self._col = col qt.QComboBox.__init__(self) self.addItems(strlist) self.activated[int].connect(self._cellChanged) def _cellChanged(self, idx): self.sigCellChanged.emit(self._row, self._col) def setSelection(self, symbol=None): if symbol is None: if self.addnone: self.setCurrentIndex(0) else: idx= self.addnone+Elements.getz(symbol)-1 self.setCurrentIndex(idx) def getSelection(self): idx = self.currentIndex() if self.addnone and not idx: return None else: return Elements.ElementList[idx - self.addnone] def main(args): app=qt.QApplication(args) win=qt.QMainWindow() #tab = Parameters(labels=['Parameter','Estimation','Fit Value','Sigma', # 'Restrains','Min/Parame','Max/Factor/Delta/'], # paramlist=['Height','Position','FWHM']) tab = PeakTableWidget(labels= ['Peak','Channel','Element','Line','Set Energy','Use', 'Cal. Energy'], peaklist=['1']) tab.showGrid() tab.configure(name='1',number=24,channel='1234',use=1, setenergy=12.5,calenergy=24.0) tab.show() app.exec_() if __name__=="__main__": main(sys.argv) ���������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/physics/xrf/FastXRFLinearFitWindow.py����������������������������������0000644�0002763�0000175�00000021752�13136054446�024612� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import numpy from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaGui import PyMca_Icons IconDict = PyMca_Icons.IconDict from PyMca5.PyMcaGui import PyMcaFileDialogs DEBUG = 0 class FastXRFLinearFitWindow(qt.QWidget): def __init__(self, parent=None): qt.QWidget.__init__(self, parent) self.setWindowTitle("FastXRFLinearFitWindow") self.setWindowIcon(qt.QIcon(qt.QPixmap(IconDict['gioconda16']))) self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) # configuration file configLabel = qt.QLabel(self) configLabel.setText("Fit Configuration File:") self._configLine = qt.QLineEdit(self) self._configLine.setReadOnly(True) self._configButton = qt.QPushButton(self) self._configButton.setText("Browse") self._configButton.setAutoDefault(False) self._configButton.clicked.connect(self.browseConfigurationFile) # output directory outLabel = qt.QLabel(self) outLabel.setText("Output dir:") self._outLine = qt.QLineEdit(self) self._outLine.setReadOnly(True) self._outButton = qt.QPushButton(self) self._outButton.setText('Browse') self._outButton.setAutoDefault(False) self._outButton.clicked.connect(self.browseOutputDir) # output file name fileLabel = qt.QLabel(self) fileLabel.setText("Output file root:") self._fileLine = qt.QLineEdit(self) self._fileLine.setReadOnly(False) self._fileLine.setText("images") boxLabel = qt.QLabel(self) boxLabel.setText("Misc. flags:") self._boxContainer = qt.QWidget(self) self._boxContainerLayout = qt.QHBoxLayout(self._boxContainer) self._boxContainerLayout.setContentsMargins(0, 0, 0, 0) self._boxContainerLayout.setSpacing(0) # concentrations self._concentrationsBox = qt.QCheckBox(self._boxContainer) self._concentrationsBox.setText("calculate concentrations") self._concentrationsBox.setChecked(False) self._concentrationsBox.setEnabled(True) # repeat fit on negative contributions self._fitAgainBox = qt.QCheckBox(self._boxContainer) self._fitAgainBox.setText("Repeat fit on negative contributions") self._fitAgainBox.setChecked(True) self._fitAgainBox.setEnabled(True) text = "Fit of pixels with negative peak area\n" text += "contributions will be repeated.\n" text += "This can seriously slow down the process\n" text += "if your sample model is far from the truth." self._fitAgainBox.setToolTip(text) # generate tiff files self._tiffBox = qt.QCheckBox(self._boxContainer) self._tiffBox.setText("generate TIFF files") self._tiffBox.setChecked(False) self._tiffBox.setEnabled(True) self._boxContainerLayout.addWidget(self._concentrationsBox) self._boxContainerLayout.addWidget(self._fitAgainBox) self._boxContainerLayout.addWidget(self._tiffBox) # weight method self._weightWidget = qt.QWidget(self) self._weightWidget.mainLayout = qt.QHBoxLayout(self._weightWidget) self._weightWidget.mainLayout.setContentsMargins(0, 0, 0, 0) self._weightWidget.mainLayout.setSpacing(0) self._weightButtonGroup = qt.QButtonGroup(self._weightWidget) i = 0 weightLabel = qt.QLabel(self) weightLabel.setText("Weight policy: ") for txt in ["No Weight (Fastest)", "Average Weight (Fast)", "Individual Weights (slow)"]: button = qt.QRadioButton(self._weightWidget) button.setText(txt) self._weightButtonGroup.addButton(button) self._weightButtonGroup.setId(button, i) self._weightWidget.mainLayout.addWidget(button) i += 1 self._weightButtonGroup.buttons()[0].setChecked(True) #self._weightWidget.mainLayout.addWidget(qt.HorizontalSpacer(self._weightWidget)) self.mainLayout.addWidget(configLabel, 0, 0) self.mainLayout.addWidget(self._configLine, 0, 1) self.mainLayout.addWidget(self._configButton, 0, 2) self.mainLayout.addWidget(outLabel, 1, 0) self.mainLayout.addWidget(self._outLine, 1, 1) self.mainLayout.addWidget(self._outButton, 1, 2) self.mainLayout.addWidget(fileLabel, 2, 0) self.mainLayout.addWidget(self._fileLine, 2, 1) self.mainLayout.addWidget(weightLabel, 3, 0) self.mainLayout.addWidget(self._weightWidget, 3, 1, 1, 1) self.mainLayout.addWidget(boxLabel, 4, 0) self.mainLayout.addWidget(self._boxContainer, 4, 1, 1, 1) def sizeHint(self): return qt.QSize(int(1.8 * qt.QWidget.sizeHint(self).width()), qt.QWidget.sizeHint(self).height()) def browseConfigurationFile(self): f = PyMcaFileDialogs.getFileList(parent=self, filetypelist=["Configuration files (*.cfg)"], message="Open a fit configuration file", mode="OPEN", single=True) if len(f): self._configLine.setText(f[0]) def browseOutputDir(self): f = PyMcaFileDialogs.getExistingDirectory(parent=self, message="Please select output directory", mode="OPEN") if len(f): self._outLine.setText(f) def getParameters(self): ddict = {} ddict['configuration'] = qt.safe_str(self._configLine.text()) ddict['output_dir'] = qt.safe_str(self._outLine.text()) ddict['file_root'] = qt.safe_str(self._fileLine.text()) if self._concentrationsBox.isChecked(): ddict['concentrations'] = 1 else: ddict['concentrations'] = 0 ddict['weight_policy'] = self._weightButtonGroup.checkedId() if self._fitAgainBox.isChecked(): ddict['refit'] = 1 else: ddict['refit'] = 0 if self._tiffBox.isChecked(): ddict['tiff'] = 1 else: ddict['tiff'] = 0 return ddict class FastXRFLinearFitDialog(qt.QDialog): def __init__(self, parent=None): qt.QDialog.__init__(self, parent) self.setWindowTitle("Fast XRF Linear Fit Dialog") self.setWindowIcon(qt.QIcon(qt.QPixmap(IconDict['gioconda16']))) self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(10, 10, 10, 10) self.parametersWidget = FastXRFLinearFitWindow(self) self.rejectButton= qt.QPushButton(self) self.rejectButton.setAutoDefault(False) self.rejectButton.setText("Cancel") self.acceptButton= qt.QPushButton(self) self.acceptButton.setAutoDefault(False) self.acceptButton.setText("OK") self.rejectButton.clicked.connect(self.reject) self.acceptButton.clicked.connect(self.accept) self.mainLayout.addWidget(self.parametersWidget, 0, 0, 5, 4) self.mainLayout.addWidget(self.rejectButton, 6, 1) self.mainLayout.addWidget(self.acceptButton, 6, 2) def getParameters(self): return self.parametersWidget.getParameters() if __name__ == "__main__": app = qt.QApplication([]) w = FastXRFLinearFitDialog() ret = w.exec_() if ret: print(w.getParameters()) #app.exec_() ����������������������PyMca5-5.2.2/PyMca5/PyMcaGui/physics/xrf/AttenuatorsTable.py����������������������������������������0000644�0002763�0000175�00000063152�13136054446�023630� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys from PyMca5.PyMcaGui import PyMcaQt as qt QTVERSION = qt.qVersion() qt.QLabel.AlignRight = qt.Qt.AlignRight qt.QLabel.AlignCenter = qt.Qt.AlignCenter qt.QLabel.AlignVCenter = qt.Qt.AlignVCenter class Q3GridLayout(qt.QGridLayout): def addMultiCellWidget(self, w, r0, r1, c0, c1, *var): self.addWidget(w, r0, c0, 1 + r1 - r0, 1 + c1 - c0) from PyMca5.PyMcaPhysics import Elements from . import MaterialEditor from . import MatrixEditor import re DEBUG = 0 class MyQLabel(qt.QLabel): def __init__(self, parent=None, name=None, fl=0, bold=True, color= qt.Qt.red): qt.QLabel.__init__(self, parent) palette = self.palette() role = self.foregroundRole() palette.setColor(role, color) self.setPalette(palette) self.font().setBold(bold) class AttenuatorsTab(qt.QWidget): def __init__(self, parent=None, name="Attenuators Tab", attenuators=None, graph=None): qt.QWidget.__init__(self, parent) layout = qt.QVBoxLayout(self) maxheight = qt.QDesktopWidget().height() if maxheight < 800: layout.setContentsMargins(0, 0, 0, 0) layout.setSpacing(2) self.table = AttenuatorsTableWidget(self, name, attenuators, funnyfilters=True) layout.addWidget(self.table) self.mainTab = qt.QTabWidget(self) layout.addWidget(self.mainTab) rheight = self.table.horizontalHeader().sizeHint().height() if maxheight < 801: self.editor = MaterialEditor.MaterialEditor(height=5, graph=graph) self.table.setMinimumHeight(7 * rheight) self.table.setMaximumHeight(13 * rheight) else: spacer = qt.VerticalSpacer(self) layout.addWidget(spacer) self.editor = MaterialEditor.MaterialEditor(graph=graph) self.table.setMinimumHeight(13*rheight) self.table.setMaximumHeight(13*rheight) self.mainTab.addTab(self.editor, "Material Editor") class MultilayerTab(qt.QWidget): def __init__(self,parent=None, name="Multilayer Tab", matrixlayers=None): if matrixlayers is None: matrixlayers=["Layer0", "Layer1", "Layer2", "Layer3", "Layer4", "Layer5", "Layer6", "Layer7", "Layer8", "Layer9"] qt.QWidget.__init__(self, parent) layout = qt.QVBoxLayout(self) self.matrixGeometry = MatrixEditor.MatrixEditor(self, "tabMatrix", table=False, orientation="horizontal", density=False, thickness=False, size="image2") layout.addWidget(self.matrixGeometry) text = "This matrix definition will only be " text += "considered if Matrix is selected and material is set to " text += "MULTILAYER in the ATTENUATORS tab.\n " self.matrixInfo = qt.QLabel(self) layout.addWidget(self.matrixInfo) self.matrixInfo.setText(text) self.matrixTable = AttenuatorsTableWidget(self, name, attenuators=matrixlayers, matrixmode=True) layout.addWidget(self.matrixTable) class CompoundFittingTab(qt.QWidget): def __init__(self, parent=None, name="Compound Tab", layerlist=None): qt.QWidget.__init__(self, parent) if layerlist is None: self.nlayers = 5 else: self.nlayers = len(layerlist) layout = qt.QVBoxLayout(self) hbox = qt.QWidget(self) hboxlayout = qt.QHBoxLayout(hbox) #hboxlayout.addWidget(qt.HorizontalSpacer(hbox)) self._compoundFittingLabel = MyQLabel(hbox, color=qt.Qt.red) self._compoundFittingLabel.setText("Compound Fitting Mode is OFF") self._compoundFittingLabel.setAlignment(qt.QLabel.AlignCenter) hboxlayout.addWidget(self._compoundFittingLabel) #hboxlayout.addWidget(qt.HorizontalSpacer(hbox)) layout.addWidget(hbox) grid = qt.QWidget(self) glt = Q3GridLayout(grid) glt.setContentsMargins(11, 11, 11, 11) glt.setSpacing(2) self._layerFlagWidgetList = [] options = ["FREE", "FIXED", "IGNORED"] for i in range(self.nlayers): r = int(i / 5) c = 3 * (i % 5) label = qt.QLabel(grid) label.setText("Layer%d" % i) cbox = qt.QComboBox(grid) for item in options: cbox.addItem(item) if i == 0: cbox.setCurrentIndex(0) else: cbox.setCurrentIndex(1) glt.addWidget(label, r, c) glt.addWidget(cbox, r, c + 1) glt.addWidget(qt.QWidget(grid), r, c + 2) layout.addWidget(grid) self.mainTab = qt.QTabWidget(self) layout.addWidget(self.mainTab) self._editorList = [] for i in range(self.nlayers): editor = CompoundFittingTab0(layerindex=i) self.mainTab.addTab(editor, "layer Editor") self._editorList.append(editor) class CompoundFittingTab0(qt.QWidget): def __init__(self, parent=None, name="Compound Tab", layerindex=None, compoundlist=None): if layerindex is None: layerindex = 0 if compoundlist is None: compoundlist = [] for i in range(10): compoundlist.append("Compound%d%d" % (layerindex, i)) qt.QWidget.__init__(self, parent) layout = qt.QVBoxLayout(self) grid = qt.QWidget(self) gl = Q3GridLayout(grid) gl.setContentsMargins(11, 11, 11, 11) gl.setSpacing(2) # Layer name nameLabel = qt.QLabel(grid) nameLabel.setText("Name") self.nameLine = qt.QLineEdit(grid) self.nameLine.setText("Compound fitting layer %d" % layerindex) gl.addWidget(nameLabel, 0, 0) gl.addMultiCellWidget(self.nameLine, 0, 0, 1, 5) Line = qt.QFrame(grid) Line.setFrameShape(qt.QFrame.HLine) Line.setFrameShadow(qt.QFrame.Sunken) Line.setFrameShape(qt.QFrame.HLine) gl.addMultiCellWidget(Line, 1, 1, 0, 5) #labels fixedLabel = qt.QLabel(grid) fixedLabel_font = qt.QFont(fixedLabel.font()) fixedLabel_font.setItalic(1) fixedLabel.setFont(fixedLabel_font) fixedLabel.setText(str("Fixed")) fixedLabel.setAlignment(qt.Qt.AlignVCenter) valueLabel = qt.QLabel(grid) valueLabel_font = qt.QFont(valueLabel.font()) valueLabel_font.setItalic(1) valueLabel.setFont(valueLabel_font) valueLabel.setText(str("Value")) valueLabel.setAlignment(qt.QLabel.AlignCenter) errorLabel = qt.QLabel(grid) errorLabel_font = qt.QFont(errorLabel.font()) errorLabel_font.setItalic(1) errorLabel.setFont(errorLabel_font) errorLabel.setText(str("Error")) errorLabel.setAlignment(qt.QLabel.AlignCenter) gl.addWidget(fixedLabel, 2, 2) gl.addWidget(valueLabel, 2, 3) gl.addWidget(errorLabel, 2, 5) #density densityLabel = qt.QLabel(grid) densityLabel.setText("Density") self.densityCheck = qt.QCheckBox(grid) self.densityCheck.setText(str("")) self.densityValue = qt.QLineEdit(grid) densitySepLabel = qt.QLabel(grid) densitySepLabel_font = qt.QFont(densitySepLabel.font()) densitySepLabel_font.setBold(1) densitySepLabel.setFont(densitySepLabel_font) densitySepLabel.setText(str("+/-")) self.densityError = qt.QLineEdit(grid) gl.addWidget(densityLabel, 3, 0) gl.addWidget(qt.HorizontalSpacer(grid), 3, 1) gl.addWidget(self.densityCheck, 3, 2) gl.addWidget(self.densityValue, 3, 3) gl.addWidget(densitySepLabel, 3, 4) gl.addWidget(self.densityError, 3, 5) #thickness thicknessLabel = qt.QLabel(grid) thicknessLabel.setText("Thickness") self.thicknessCheck = qt.QCheckBox(grid) self.thicknessCheck.setText(str("")) self.thicknessValue = qt.QLineEdit(grid) thicknessSepLabel = qt.QLabel(grid) thicknessSepLabel_font = qt.QFont(thicknessSepLabel.font()) thicknessSepLabel_font.setBold(1) thicknessSepLabel.setFont(thicknessSepLabel_font) thicknessSepLabel.setText(str("+/-")) self.thicknessError = qt.QLineEdit(grid) gl.addWidget(thicknessLabel, 4, 0) gl.addWidget(self.thicknessCheck, 4, 2) gl.addWidget(self.thicknessValue, 4, 3) gl.addWidget(thicknessSepLabel, 4, 4) gl.addWidget(self.thicknessError, 4, 5) Line = qt.QFrame(grid) Line.setFrameShape(qt.QFrame.HLine) Line.setFrameShadow(qt.QFrame.Sunken) Line.setFrameShape(qt.QFrame.HLine) gl.addMultiCellWidget(Line, 5, 5, 0, 5) layout.addWidget(grid) """ self.matrixGeometry = MatrixEditor.MatrixEditor(self,"tabMatrix", table=False, orientation="horizontal", density=False, thickness=False, size="image2") layout.addWidget(self.matrixGeometry) text ="This matrix definition will only be " text +="considered if Matrix is selected and material is set to " text +="MULTILAYER in the ATTENUATORS tab.\n " self.matrixInfo = qt.QLabel(self) layout.addWidget(self.matrixInfo) self.matrixInfo.setText(text) """ self.matrixTable = AttenuatorsTableWidget(self, name, attenuators=compoundlist, matrixmode=False, compoundmode=True, layerindex=layerindex) layout.addWidget(self.matrixTable) QTable = qt.QTableWidget class AttenuatorsTableWidget(QTable): sigValueChanged = qt.pyqtSignal(int, int) def __init__(self, parent=None, name="Attenuators Table", attenuators=None, matrixmode=None, compoundmode=None, layerindex=0, funnyfilters=False): attenuators0 = ["Atmosphere", "Air", "Window", "Contact", "DeadLayer", "Filter5", "Filter6", "Filter7", "BeamFilter1", "BeamFilter2", "Detector", "Matrix"] QTable.__init__(self, parent) self.setWindowTitle(name) if attenuators is None: attenuators = attenuators0 if matrixmode is None: matrixmode = False if matrixmode: self.compoundMode = False elif compoundmode is None: self.compoundMode = False else: self.compoundMode = compoundmode if funnyfilters is None: funnyfilters = False self.funnyFiltersMode = funnyfilters if self.compoundMode: self.funnyFiltersMode = False labels = ["Compound", "Name", "Material", "Initial Amount"] else: if self.funnyFiltersMode: labels = ["Attenuator", "Name", "Material", "Density (g/cm3)", "Thickness (cm)", "Funny Factor"] else: labels = ["Attenuator", "Name", "Material", "Density (g/cm3)", "Thickness (cm)"] self.layerindex = layerindex self.matrixMode = matrixmode self.attenuators = attenuators self.verticalHeader().hide() if DEBUG: print("margin to adjust") print("focus style") self.setFrameShape(qt.QTableWidget.NoFrame) self.setSelectionMode(qt.QTableWidget.NoSelection) self.setColumnCount(len(labels)) for i in range(len(labels)): item = self.horizontalHeaderItem(i) if item is None: item = qt.QTableWidgetItem(labels[i], qt.QTableWidgetItem.Type) item.setText(labels[i]) self.setHorizontalHeaderItem(i,item) if self.matrixMode: self.__build(len(attenuators)) elif self.compoundMode: self.__build(len(attenuators)) else: self.__build(len(attenuators0)) #self.adjustColumn(0) if self.matrixMode: item = self.horizontalHeaderItem(0) item.setText('Layer') self.setHorizontalHeaderItem(0, item) if self.compoundMode: self.resizeColumnToContents(0) self.resizeColumnToContents(1) self.sigValueChanged[int,int].connect(self.mySlot) def __build(self, nfilters=12): n = 0 if (not self.matrixMode) and (not self.compoundMode): n = 4 #self.setNumRows(nfilters+n) self.setRowCount(12) else: self.setRowCount(nfilters) rheight = self.horizontalHeader().sizeHint().height() for idx in range(self.rowCount()): self.setRowHeight(idx, rheight) self.comboList = [] matlist = list(Elements.Material.keys()) matlist.sort() if self.matrixMode or self.compoundMode: if self.matrixMode: roottext = "Layer" else: roottext = "Compound%d" % self.layerindex a = [] #a.append('') for key in matlist: a.append(key) for idx in range(self.rowCount()): item= qt.QCheckBox(self) self.setCellWidget(idx, 0, item) text = roottext+"%d" % idx item.setText(text) item = self.item(idx, 1) if item is None: item = qt.QTableWidgetItem(text, qt.QTableWidgetItem.Type) self.setItem(idx, 1, item) else: item.setText(text) item.setFlags(qt.Qt.ItemIsSelectable| qt.Qt.ItemIsEnabled) combo = MyQComboBox(self, options=a, row = idx, col = 2) combo.setEditable(True) self.setCellWidget(idx, 2, combo) combo.sigMaterialComboBoxSignal.connect(self._comboSlot) return selfnumRows = self.rowCount() for idx in range(selfnumRows - n): text = "Filter% 2d" % idx item = qt.QCheckBox(self) self.setCellWidget(idx, 0, item) item.setText(text) if idx < len(self.attenuators): text = self.attenuators[idx] item = self.item(idx, 1) if item is None: item = qt.QTableWidgetItem(text, qt.QTableWidgetItem.Type) self.setItem(idx, 1, item) else: item.setText(text) #a = qt.QStringList() a = [] #a.append('') for key in matlist: a.append(key) combo = MyQComboBox(self, options=a, row=idx, col = 2) combo.setEditable(True) self.setCellWidget(idx, 2, combo) #self.setItem(idx,2,combo) combo.sigMaterialComboBoxSignal.connect(self._comboSlot) for i in range(2): #BeamFilter(i) item = qt.QCheckBox(self) idx = self.rowCount() - (4 - i) self.setCellWidget(idx, 0, item) text = "BeamFilter%d" % i item.setText(text) item = self.item(idx,1) if item is None: item = qt.QTableWidgetItem(text, qt.QTableWidgetItem.Type) self.setItem(idx, 1, item) else: item.setText(text) item.setFlags(qt.Qt.ItemIsSelectable| qt.Qt.ItemIsEnabled) text = "1.0" item = self.item(idx, 5) if item is None: item = qt.QTableWidgetItem(text, qt.QTableWidgetItem.Type) self.setItem(idx, 5, item) else: item.setText(text) item.setFlags(qt.Qt.ItemIsSelectable| qt.Qt.ItemIsEnabled) combo = MyQComboBox(self, options=a, row=idx, col=2) combo.setEditable(True) self.setCellWidget(idx, 2, combo) combo.sigMaterialComboBoxSignal.connect(self._comboSlot) #Detector item = qt.QCheckBox(self) idx = self.rowCount() - 2 self.setCellWidget(idx, 0, item) text = "Detector" item.setText(text) item = self.item(idx,1) if item is None: item = qt.QTableWidgetItem(text, qt.QTableWidgetItem.Type) self.setItem(idx, 1, item) else: item.setText(text) item.setFlags(qt.Qt.ItemIsSelectable | qt.Qt.ItemIsEnabled) text = "1.0" item = self.item(idx, 5) if item is None: item = qt.QTableWidgetItem(text, qt.QTableWidgetItem.Type) self.setItem(idx, 5, item) else: item.setText(text) item.setFlags(qt.Qt.ItemIsSelectable | qt.Qt.ItemIsEnabled) combo = MyQComboBox(self, options=a, row=idx, col=2) combo.setEditable(True) self.setCellWidget(idx, 2, combo) #Matrix item = qt.QCheckBox(self) idx = self.rowCount() - 1 self.setCellWidget(idx, 0, item) text = "Matrix" item.setText(text) item = self.item(idx, 1) if item is None: item = qt.QTableWidgetItem(text, qt.QTableWidgetItem.Type) self.setItem(idx, 1, item) else: item.setText(text) item.setFlags(qt.Qt.ItemIsSelectable |qt.Qt.ItemIsEnabled) text = "1.0" item = self.item(idx, 5) if item is None: item = qt.QTableWidgetItem(text, qt.QTableWidgetItem.Type) self.setItem(idx, 5, item) else: item.setText(text) item.setFlags(qt.Qt.ItemIsSelectable | qt.Qt.ItemIsEnabled) combo.sigMaterialComboBoxSignal.connect(self._comboSlot) #a = qt.QStringList() a = [] #a.append('') for key in matlist: a.append(key) #combo = qttable.QComboTableItem(self,a) self.combo = MyQComboBox(self, options=a, row=idx, col=2) self.setCellWidget(idx, 2, self.combo) self.combo.sigMaterialComboBoxSignal.connect(self._comboSlot) def mySlot(self,row,col): if DEBUG: print("Value changed row = %d cole = &d" % (row, col)) print("Text = %s" % self.text(row, col)) def _comboSlot(self, ddict): if DEBUG: print("_comboSlot", ddict) row = ddict['row'] col = ddict['col'] text = ddict['text'] self.setCurrentCell(row, col) self._checkDensityThickness(text, row) self.sigValueChanged.emit(row, col) def text(self, row, col): if col == 2: return self.cellWidget(row, col).currentText() else: if col not in [1, 3, 4, 5]: print("row, col = %d, %d" % (row, col)) print("I should not be here") else: item = self.item(row, col) return item.text() def setText(self, row, col, text): if col == 0: self.cellWidget(row, 0).setText(text) return if col not in [1, 3, 4, 5]: print("only compatible columns 1, 3 and 4") raise ValueError("method for column > 2") item = self.item(row, col) if item is None: item = qt.QTableWidgetItem(text, qt.QTableWidgetItem.Type) self.setItem(row, col, item) else: item.setText(text) def setCellWidget(self, row, col, w): QTable.setCellWidget(self, row, col, w) def _checkDensityThickness(self, text, row): try: currentDensity = float(str(self.text(row, 3))) except: currentDensity = 0.0 try: currentThickness = float(str(self.text(row, 4))) except: currentThickness = 0.0 defaultDensity = -1.0 defaultThickness = -0.1 #check if default density is there if Elements.isValidFormula(text): #check if single element if text in Elements.Element.keys(): defaultDensity = Elements.Element[text]['density'] else: elts = [ w for w in re.split('[0-9]', text) if w != ''] nbs = [ int(w) for w in re.split('[a-zA-Z]', text) if w != ''] if len(elts) == 1 and len(nbs) == 1: defaultDensity = Elements.Element[elts[0]]['density'] elif Elements.isValidMaterial(text): key = Elements.getMaterialKey(text) if key is not None: if 'Density' in Elements.Material[key]: defaultDensity = Elements.Material[key]['Density'] if 'Thickness' in Elements.Material[key]: defaultThickness = Elements.Material[key]['Thickness'] if defaultDensity >= 0.0: self.setText(row, 3, "%g" % defaultDensity) elif currentDensity <= 0: # should not be better to raise an exception if the # entered density or thickness were negative? self.setText(row, 3, "%g" % 1.0) if defaultThickness >= 0.0: self.setText(row, 4, "%g" % defaultThickness) elif currentThickness <= 0.0: # should not be better to raise an exception if the # entered density or thickness were negative? self.setText(row, 4, "%g" % 0.1) class MyQComboBox(MaterialEditor.MaterialComboBox): def _mySignal(self, qstring0): qstring = qstring0 (result, index) = self.ownValidator.validate(qstring, 0) if result != self.ownValidator.Valid: qstring = self.ownValidator.fixup(qstring) (result, index) = self.ownValidator.validate(qstring,0) if result != self.ownValidator.Valid: text = str(qstring) if text.upper() != "MULTILAYER": qt.QMessageBox.critical(self, "Invalid Material '%s'" % text, "The material '%s' is not a valid Formula " \ "nor a valid Material.\n" \ "Please define the material %s or correct the formula\n" % \ (text, text)) self.setCurrentIndex(0) for i in range(self.count()): selftext = self.itemText(i) if selftext == qstring0: self.removeItem(i) break return text = str(qstring) self.setCurrentText(text) ddict = {} ddict['event'] = 'activated' ddict['row'] = self.row ddict['col'] = self.col ddict['text'] = text if qstring0 != qstring: self.removeItem(self.count() - 1) insert = True for i in range(self.count()): selftext = self.itemText(i) if qstring == selftext: insert = False if insert: self.insertItem(-1, qstring) # signal defined in the superclass. self.sigMaterialComboBoxSignal.emit(ddict) def main(args): app = qt.QApplication(args) #tab = AttenuatorsTableWidget(None) if len(args) < 2: tab = AttenuatorsTab(None) elif len(args) > 3: tab = CompoundFittingTab(None) else: tab = MultilayerTab(None) tab.show() app.exec_() if __name__=="__main__": main(sys.argv) ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������PyMca5-5.2.2/PyMca5/PyMcaGui/physics/xrf/QtMcaAdvancedFitReport.py����������������������������������0000644�0002763�0000175�00000106641�13136054446�024642� 0����������������������������������������������������������������������������������������������������ustar �sole����������������������������bliss���������������������������0000000�0000000������������������������������������������������������������������������������������������������������������������������������������������������������������������������#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2016 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import os import sys import time MATPLOTLIB = True from PyMca5.PyMcaGui import PyMcaQt as qt QTVERSION = qt.qVersion() #this is installation dependent I guess from matplotlib import rcParams from matplotlib import __version__ as matplotlib_version #rcParams['numerix'] = "numeric" from matplotlib.font_manager import FontProperties from matplotlib.backends.backend_agg import FigureCanvasAgg as FigureCanvas from matplotlib.figure import Figure MATPLOTLIB = True from PyMca5.PyMcaIO import ConfigDict from PyMca5.PyMcaCore import PyMcaLogo from PyMca5.PyMcaPhysics.xrf import ConcentrationsTool ConcentrationsConversion = ConcentrationsTool.ConcentrationsConversion class QtMcaAdvancedFitReport: def __init__(self, fitfile = None, outfile = None, outdir = None, sourcename = None, selection = None, fitresult = None,htmltext=None, concentrations=None, table = None, plotdict=None): self.concentrations = concentrations self.concentrationsConversion = ConcentrationsConversion() if table is None: table = 2 self.tableFlag = table if fitfile is not None: #generate output from fit result file self.fitfile = fitfile self.outfile = outfile self.outdir = outdir self.generateReportFromFitFile() else: #generate output from fitresult INCLUDING fit file self.fitfile = fitfile self.outfile = outfile self.outdir = outdir self.sourcename=sourcename self.selection =selection self.fitresult =fitresult if self.outfile is None: if selection is not None: self.outfile = selection if (self.outfile is None) or (self.outfile == 'Unknown Origin'): if sourcename is not None: self.outfile = os.path.basename(sourcename) self.outfile = self.outfile.replace(" ","_") self.outfile = self.outfile.replace("/","_over_") self.graph = None if htmltext is None: htmltext={} self.otherhtmltext=htmltext if plotdict is None: self.plotDict = {'logy':True, 'xmin':None, 'xmax':None, 'ymin':None, 'ymax':None} else: self.plotDict = plotdict def writeReport(self,text=None): if len(self.outfile) > 5: if self.outfile[-5:] != ".html": outfile = os.path.join(self.outdir, self.outfile+".html") else: outfile = os.path.join(self.outdir, self.outfile) else: outfile = os.path.join(self.outdir, self.outfile+".html") try: os.remove(outfile) except: pass concentrationsfile = outfile[:-5]+"_concentrations.txt" try: os.remove(concentrationsfile) except: pass if text is None: text = self.getText() f=open(outfile,"w") f.write(text) f.close() if len(self._concentrationsTextASCII) > 1: f=open(concentrationsfile, "w") f.write(self._concentrationsTextASCII) f.close() return outfile def generateReportFromFitFile(self): d=ConfigDict.ConfigDict() d.read(self.fitfile) sourcename = "Unknown Source" selection = "Unknown Selection" if 'info' in d: if 'key' in d['info']: selection=d['info']['key'] elif 'Key' in d['info']: selection=d['info']['Key'] for key in d['info'].keys(): if key.upper() == 'SOURCENAME': sourcename = d['info'][key] elif (key.upper() == 'SELECTION') or\ (key.upper() == 'LEGEND'): selection = d['info'][key] self.sourcename = sourcename self.selection = selection if self.outfile is None: if self.outdir is None: self.outdir = os.getcwd() self.outfile= os.path.basename(self.fitfile) else: if self.outdir is None: self.outdir = os.path.dirname(self.outfile) self.outfile= os.path.basename(self.outfile) if self.outdir == '':self.outdir = "." self.fitresult=d if 'concentrations' in d: self.concentrations = d['concentrations'] def getText(self): newlinks = [] for key in self.otherhtmltext.keys(): newlinks.append(["#%s" % (key),"%s" % key]) text =self.getHeader(newlinks) text+=self.getInfo() text+=self.getImage() text+=self.getParam() text+=self.getConcentrations() self._concentrationsTextASCII = self.getConcentrationsASCII() text+=self.getResult() for key in self.otherhtmltext.keys(): text+="\n" text+= "<H2><a NAME=""%s""></a><FONT color=#009999>" % key text+= "%s:" % key text+= "</FONT></H2>" text+= self.otherhtmltext[key] text+="<br>" text+=self.getFooter() return text def getHeader(self,addlink=None): link = [ ['http://pymca.sourceforge.net', 'PyMCA home'], ['http://www.esrf.fr', 'ESRF home'], ['http://www.esrf.fr/UsersAndScience/Experiments/TBS/BLISS', 'BLISS home']] if self.concentrations is not None: link.append(['#Concentrations', 'Concentrations']) if self.tableFlag:link.append(['#Fit_Peak_Results', 'Fit Peak Results']) if addlink is not None: for item in addlink: link.append(item) text ="" text+= "<HTML>" text+= "<HEAD>" text+= "<TITLE>PyMCA : Advanced Fit Results" text+= "" text+= "" text+= "
" text+= "" text+= " " text+= " " text+= " " text+= " " text+= " " text+= " " text+= " " text+= " " text+= " " text+= " " text+= "
" text+= " PyMCA : Advanced Fit Results" text+= " " text+= " " logofile = self.outdir + "/" + "PyMcaLogo.png" if not os.path.exists(logofile): pixmap = qt.QPixmap(PyMcaLogo.PyMcaLogo) pixmap.save(logofile,"PNG") text+= " " % "PyMcaLogo.png" text+= "
" text+= " " text+= " " text+= " " text+= " " text+= "
" text+= "  " for name in link: text+= "|  %s  "%(tuple(name)) text+= " " text+= "
" text+= "
" text+= "
" text+= "
" return text def getInfo(self): text ="" text+= "

" text+= "Computed File : " text+= "" text+= "" if self.fitfile is not None: if os.path.basename(self.fitfile) == self.fitfile: text+= "%s" % (os.getcwd()+"/"+self.fitfile) else: text+= "%s" % (self.fitfile) else: text+= "%s" % (self.outdir+"/"+self.outfile+".fit") #and I have to generate it!!!!!!!!!!!!" d=ConfigDict.ConfigDict(self.fitresult) try: os.remove(self.outdir+"/"+self.outfile+".fit") except: pass if self.concentrations is not None: d['concentrations'] = self.concentrations d.write(self.outdir+"/"+self.outfile+".fit") text+= "" text+= "

" text+= "
" text+= "" text+= "" text+= "" text+="" if 0: #not yet implemented text+="" text+=" " text+="" text+="
" text+= "" text+= " " % (self.sourcename) text+= " " % (self.selection) text+= " " """ text+= " "%(self.sourcename) text+= " "%(self.selection) keys= [ key for key in info.keys() if key not in ['paramfile', 'peakfile'] ] for idx in range(0, len(keys), 2): text+= " "%(keys[idx], info[keys[idx]]) if idx+1 1: text+=" " text+=" " % 'Slope' value = self.fitresult['result']['fittedpar'][self.fitresult['result']['parameters'].index('Constant')+1] stdvalue = self.fitresult['result']['sigmapar'] [self.fitresult['result']['parameters'].index('Constant')+1] text+=" " % (value, stdvalue) text+=" " text+="" text+="
Source :  %s
Selection :  %s
Parameters :  " d=ConfigDict.ConfigDict(self.fitresult['result']['config']) try: os.remove(self.outdir+"/"+self.outfile+".txt") except: pass d.write(self.outdir+"/"+self.outfile+".txt") text+= "%s"% (self.outfile+".txt",self.outfile+".txt") text+="
Source : %sSelection : %s
%s : %s
 %s % .5E +/- % .5E
" text+="
" text+=" FIT END STATUS : %s
"% "STATUS" text+=" %s" % "MESSAGE" text+="
" text+="" return text def getFooter(self): now = time.time() text ="" text+= "
" text+= "" text+= " " text+= " " text+= " " text+= " " text+= " " % time.ctime(now) #text+= " " if sys.platform == 'win32': try: user = os.getenv('USERNAME') text+= " %s" % user except: text +="" else: try: user = os.getenv("USER") text+= " %s" % user except: text +="" text+= " " text+= "
created: %slast modified: %s" % time.ctime(now) text+= " last modified: %s by" % time.ctime(now) #text+= " papillon@esrf.fr
" text+= "
" text+= "" text+= "" return text def __getFitImage(self,imagefile=None): if imagefile is None:imagefile=self.outdir+"/"+self.outfile+".png" filelink = "%s" % imagefile text = "" text+= "

" text+= "Spectrum, Continuum and Fitted values :" text+= "

" text+= "
" text+= ""%filelink text+= "
" return text def getImage(self): ddict=self.fitresult try: fig = Figure(figsize=(6,3)) # in inches canvas = FigureCanvas(fig) ax = fig.add_axes([.15, .15, .8, .8]) ax.set_axisbelow(True) logplot = self.plotDict.get('logy', True) if logplot: axplot = ax.semilogy else: axplot = ax.plot axplot(ddict['result']['energy'], ddict['result']['ydata'], 'k', lw=1.5) axplot(ddict['result']['energy'], ddict['result']['continuum'], 'g', lw=1.5) legendlist = ['spectrum', 'continuum', 'fit'] axplot(ddict['result']['energy'], ddict['result']['yfit'], 'r', lw=1.5) fontproperties = FontProperties(size=8) if ddict['result']['config']['fit']['sumflag']: axplot(ddict['result']['energy'], ddict['result']['pileup'] + ddict['result']['continuum'], 'y', lw=1.5) legendlist.append('pileup') if matplotlib_version < '0.99.0': legend = ax.legend(legendlist,0, prop = fontproperties, labelsep=0.02) elif matplotlib_version < '1.5': legend = ax.legend(legendlist,0, prop = fontproperties, labelspacing=0.02) else: legend = ax.legend(legendlist, loc=0, prop = fontproperties, labelspacing=0.02) except ValueError: fig = Figure(figsize=(6,3)) # in inches canvas = FigureCanvas(fig) ax = fig.add_axes([.15, .15, .8, .8]) ax.set_axisbelow(True) ax.plot(ddict['result']['energy'], ddict['result']['ydata'], 'k', lw=1.5) ax.plot(ddict['result']['energy'], ddict['result']['continuum'], 'g', lw=1.5) legendlist = ['spectrum', 'continuum', 'fit'] ax.plot(ddict['result']['energy'], ddict['result']['yfit'], 'r', lw=1.5) fontproperties = FontProperties(size=8) if ddict['result']['config']['fit']['sumflag']: ax.plot(ddict['result']['energy'], ddict['result']['pileup'] + ddict['result']['continuum'], 'y', lw=1.5) legendlist.append('pileup') if matplotlib_version < '0.99.0': legend = ax.legend(legendlist,0, prop = fontproperties, labelsep=0.02) elif matplotlib_version < '1.5': legend = ax.legend(legendlist,0, prop = fontproperties, labelspacing=0.02) else: legend = ax.legend(legendlist, loc=0, prop = fontproperties, labelspacing=0.02) ax.set_xlabel('Energy') ax.set_ylabel('Counts') legend.draw_frame(False) outfile = self.outdir+"/"+self.outfile+".png" try: os.remove(outfile) except: pass canvas.print_figure(outfile) return self.__getFitImage(self.outfile+".png") def getConcentrations(self): return self.concentrationsConversion.getConcentrationsAsHtml(\ self.concentrations) def getConcentrationsASCII(self): return self.concentrationsConversion.getConcentrationsAsAscii(\ self.concentrations) def getResult(self): text = "" if self.tableFlag == 0: return text text+="\n" text+= "

" % 'Fit_Peak_Results' text+= "%s:" % 'Fit Peak Results' text+= "

" text+="
" result = self.fitresult['result'] if self.tableFlag == 1: labels=['Element','Group','Fit  Area','Sigma'] else: labels=['Element','Group','Fit  Area','Sigma','Energy','Ratio','FWHM','Chi  square'] lemmon = ("#%x%x%x" % (255,250,205)).upper() hcolor = ("#%x%x%x" % (230,240,249)).upper() text += "
" text += ("") text += '' text += ( "") for l in range(len(labels)): if l < 2: text += '' % (hcolor,labels[l]) elif (l > 3) or (self.tableFlag == 1): text += '' % (hcolor,labels[l]) else: text += '' % (hcolor,labels[l]) text+="\n" for group in result['groups']: text+=("") ele,group0 = group.split() text += '' % ele text += '' % group0 fitarea = "%.6e" % result[group]['fitarea'] sigmaarea = "%.2e" % result[group]['sigmaarea'] text += '' % fitarea text += '' % sigmaarea text += '' text += '' text += '' text += '' text += '\n' if type(result[group]['peaks']) != type([]): iterator = [result[group]['peaks']] else: iterator = 1 * result[group]['peaks'] if self.tableFlag == 1: iterator = [] for peak in iterator: text += '' name = peak energy = ("%.3f" % (result[group][peak]['energy'])) ratio = ("%.5f" % (result[group][peak]['ratio'])) area = ("%.6e" % (result[group][peak]['fitarea'])) sigma = ("%.2e" % (result[group][peak]['sigmaarea'])) fwhm = ("%.3f" % (result[group][peak]['fwhm'])) chisq = ("%.2f" % (result[group][peak]['chisq'])) fields = [name,area,sigma,energy,ratio,fwhm,chisq] for field in fields: if field == name: text+=('' % (lemmon,field)) else: text+=('' % (lemmon,field)) text+="\n" if type(result[group]['escapepeaks']) != type([]): iterator = [result[group]['escapepeaks']] else: iterator = 1 * result[group]['escapepeaks'] if self.tableFlag == 1: iterator = [] for peak0 in iterator: name = peak0+"esc" peak = peak0+"esc" if result[group][name]['ratio'] > 0.0: text += '' energy = ("%.3f" % (result[group][peak]['energy'])) ratio = ("%.5f" % (result[group][peak]['ratio'])) area = ("%.6e" % (result[group][peak]['fitarea'])) sigma = ("%.2e" % (result[group][peak]['sigmaarea'])) fwhm = ("%.3f" % (result[group][peak]['fwhm'])) chisq = ("%.2f" % (result[group][peak]['chisq'])) fields = [name,area,sigma,energy,ratio,fwhm,chisq] for field in fields: if field == name: text+=('' % (lemmon,field)) else: text+=('' % (lemmon,field)) text+="\n" text+=("
%s%s%s
%s%s%s%s    
 %s%s
%s%s
") text+=("
") text+="
" return text def generateoutput(fitfile,outfile=None): report = QtMcaAdvancedFitReport(fitfile, outfile) report.writeReport() if __name__ == "__main__": if len(sys.argv) <2 : print("Usage: %s Input_Fit_Result_File [optional_output_file]" %\ sys.argv[0]) sys.exit(1) app = qt.QApplication(sys.argv) fitfile=sys.argv[1] if len(sys.argv) > 2: outfile = sys.argv[2] else: outfile = None generateoutput(fitfile,outfile) app.quit() PyMca5-5.2.2/PyMca5/PyMcaGui/physics/xrf/ElementsInfo.py0000644000276300001750000002270113136054446022732 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaPhysics.xrf import ElementHtml from PyMca5.PyMcaPhysics.xrf import Elements from PyMca5.PyMcaGui.physics.xrf.QPeriodicTable import QPeriodicTable __revision__ = "$Revision: 1.15 $" DEBUG = 0 CLOSE_ICON =[ "16 16 18 1", ". c None", "d c #000000", "c c #080808", "k c #080c08", "b c #181818", "a c #212021", "# c #212421", "j c #292829", "e c #313031", "f c #393839", "i c #424542", "m c #525152", "h c #525552", "g c #5a595a", "l c #636163", "p c #6b696b", "n c #7b797b", "o c #ffffff", "................", "................", "......#abcd.....", "....efghijkdd...", "...elmgnliaddd..", "...fmoopnhoodd..", "..#ggooogoooddd.", "..ahnpooooocddd.", "..bilngoooadddd.", "..cjihooooodddd.", "..dkaoooaoooddd.", "...ddoocddoodd..", "...ddddddddddd..", "....ddddddddd...", "......ddddd.....", "................" ] class ElementsInfo(qt.QWidget): def __init__(self, parent=None, name="Elements Info"): qt.QWidget.__init__(self, parent) self.setWindowTitle(name) layout = qt.QVBoxLayout(self) layout.setContentsMargins(0, 0, 0, 0) layout.setSpacing(0) self.energyValue = None self.splitter = qt.QSplitter(self) layout.addWidget(self.splitter) self.splitter.setOrientation(qt.Qt.Horizontal) self.table = QPeriodicTable(self.splitter) self.html = ElementHtml.ElementHtml() self.infoWidget = None self.table.setMinimumSize(500, 400) self.table.sigElementClicked.connect(self.elementClicked) self.lastElement = None Elements.registerUpdate(self._updateCallback) def elementClicked(self, symbol): if self.infoWidget is None: self.__createInfoWidget(symbol) else: self.infoText.clear() self.infoText.insertHtml(self.html.gethtml(symbol)) if self.infoWidget.isHidden(): self.infoWidget.show() self.lastElement = symbol self.infoWidget.setWindowTitle(symbol) self.infoWidget.raise_() def __createInfoWidget(self,symbol=""): #Dock window like widget frame = qt.QWidget(self.splitter) layout = qt.QVBoxLayout(frame) layout.setContentsMargins(0, 0, 0, 0) layout.setSpacing(0) #The dock functionnality toolbar = qt.QWidget(frame) layout.addWidget(toolbar) layout1 = qt.QHBoxLayout(toolbar) layout1.setContentsMargins(0, 0, 0, 0) layout1.setSpacing(0) # --- the line self.line1 = Line(toolbar) self.line1.setFrameShape(qt.QFrame.HLine) self.line1.setFrameShadow(qt.QFrame.Sunken) self.line1.setFrameShape(qt.QFrame.HLine) layout1.addWidget(self.line1) # --- the close button self.closelabel = PixmapLabel(toolbar) self.closelabel.setPixmap(qt.QPixmap(CLOSE_ICON)) layout1.addWidget(self.closelabel) self.closelabel.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Fixed, qt.QSizePolicy.Fixed)) # --- connections self.line1.sigLineDoubleClickEvent.connect(self.infoReparent) self.closelabel.sigPixmapLabelMousePressEvent.connect(self.infoToggle) # --- The text edit widget w= qt.QWidget(frame) layout.addWidget(w) l=qt.QVBoxLayout(w) l.setContentsMargins(0, 0, 0, 0) l.setSpacing(0) hbox = qt.QWidget(w) hbox.layout = qt.QHBoxLayout(hbox) hbox.layout.setContentsMargins(0, 0, 0, 0) hbox.layout.setSpacing(0) l.addWidget(hbox) hbox.layout.addWidget(qt.HorizontalSpacer(hbox)) l1=qt.QLabel(hbox) l1.setText('Excitation Energy (keV)') self.energy=MyQLineEdit(hbox) self.energy.setFixedWidth(self.energy.fontMetrics().width('#####.###')) self.energy.setText("") hbox.layout.addWidget(l1) hbox.layout.addWidget(self.energy) hbox.layout.addWidget(qt.HorizontalSpacer(hbox)) self.energy.editingFinished[()].connect(self._energySlot) #if both signals are emitted and there is an error then we are in an #endless loop #self.connect(self.energy, qt.SIGNAL('focusOut'), self._energySlot) self.infoText = qt.QTextEdit(w) self.infoText.setReadOnly(1) self.infoText.clear() self.infoText.insertHtml(self.html.gethtml(symbol)) l.addWidget(self.infoText) w.show() self.infoWidget=frame frame.show() def infoReparent(self): if self.infoWidget.parent() is not None: self.infoWidget.setParent(None) self.infoWidget.move(self.cursor().pos()) self.infoWidget.show() #,self.cursor().pos(),1) else: self.infoWidget.setParent(self.splitter) self.splitter.insertWidget(1,self.infoWidget) #,qt.QPoint(),1) #self.splitter.moveToFirst(self.sourceFrame) self.infoWidget.setFocus() def infoToggle(self,**kw): if DEBUG: print("toggleSource called") if self.infoWidget.isHidden(): self.infoWidget.show() self.infoWidget.raiseW() else: self.infoWidget.hide() def _energySlot(self): string = str(self.energy.text()) if len(string): try: value = float(string) except: msg=qt.QMessageBox(self.energy) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Invalid Float") msg.exec_() self.energy.setFocus() return if self.energyValue is not None: if value != self.energyValue: self.energyValue = value Elements.updateDict(energy=value) else: self.energyValue = value Elements.updateDict(energy=value) self.energy.setPaletteBackgroundColor(qt.QColor('white')) self.infoWidget.setFocus() else: self.energyValue = None self.energy.setText("") def _updateCallback(self): if self.lastElement is not None: self.elementClicked(self.lastElement) if Elements.Element[self.lastElement]['buildparameters']['energy'] is not None: self.energy.setText("%.3f" % Elements.Element[self.lastElement]['buildparameters']['energy']) else: self.energy.setText("") class Line(qt.QFrame): sigLineDoubleClickEvent = qt.pyqtSignal(object) def mouseDoubleClickEvent(self,event): if DEBUG: print("Double Click Event") ddict={} ddict['event']="DoubleClick" ddict['data'] = event self.sigLineDoubleClickEvent.emit(ddict) class PixmapLabel(qt.QLabel): sigPixmapLabelMousePressEvent = qt.pyqtSignal(object) def mousePressEvent(self,event): if DEBUG: print("Mouse Press Event") ddict={} ddict['event']="MousePress" ddict['data'] = event self.sigPixmapLabelMousePressEvent.emit(ddict) class MyQLineEdit(qt.QLineEdit): sigFocusOut = qt.pyqtSignal() def __init__(self,parent=None,name=None): qt.QLineEdit.__init__(self,parent) def setPaletteBackgroundColor(self, color): palette = self.palette() role = self.backgroundRole() palette.setColor(role,color) self.setPalette(palette) def focusInEvent(self,event): self.setPaletteBackgroundColor(qt.QColor('yellow')) def focusOutEvent(self,event): self.setPaletteBackgroundColor(qt.QColor('white')) self.sigFocusOut.emit() def main(): app = qt.QApplication([]) winpalette = qt.QPalette(qt.QColor(230,240,249),qt.QColor(238,234,238)) app.setPalette(winpalette) w= ElementsInfo() w.show() app.exec_() if __name__ == "__main__": main() PyMca5-5.2.2/PyMca5/PyMcaGui/physics/xrf/McaCalWidget.py0000644000276300001750000020044713136054446022633 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2017 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import numpy from numpy.linalg import inv as inverse import copy from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaGui import PlotWidget if hasattr(qt, "QString"): QString = qt.QString else: QString = str QTVERSION = qt.qVersion() from PyMca5.PyMcaMath.fitting import Gefit from PyMca5.PyMcaMath.fitting import Specfit from PyMca5.PyMcaMath.fitting import SpecfitFuns from PyMca5.PyMcaGui import PyMca_Icons IconDict = PyMca_Icons.IconDict from . import PeakTableWidget if 0: from PyMca5 import XRDPeakTableWidget DEBUG = 0 LOW_HEIGHT_THRESHOLD = 660 class McaCalWidget(qt.QDialog): def __init__(self, parent=None, name="MCA Calibration Widget", x = None,y=None,current=None,peaks=None,caldict=None, specfit=None,legend="", xrd=False, lambda_="-", modal=0,fl=0): #fl=qt.Qt.WDestructiveClose): self.name= name if QTVERSION < '4.0.0': qt.QDialog.__init__(self, parent, name, modal,fl) self.setCaption(self.name) else: qt.QDialog.__init__(self, parent) self.setModal(modal) self.setWindowIcon(qt.QIcon(qt.QPixmap(IconDict['gioconda16']))) self.setWindowTitle(self.name) maxheight = qt.QDesktopWidget().height() if maxheight < 770: self.setMinimumHeight(int(0.9*(maxheight))) self.setMaximumHeight(int(1.0*(maxheight))) self.__xrdMode = xrd self.__xrdLambda = lambda_ self.__xrdEnergy = "" self.__xrdParticle = "Photon" self.__manualsearch = 0 self.foundPeaks = [] if caldict is None: caldict = {} self.dict = {} if x is None: if len(y): x = numpy.arange(len(y)).astype(numpy.float) self.dict ['x'] = x self.dict ['y'] = y self.dict ['legend'] = legend self.current = legend self.caldict = caldict if legend not in self.caldict.keys(): self.caldict[legend] = {} self.caldict[legend]['order'] = 1 self.caldict[legend]['A'] = 0.0 self.caldict[legend]['B'] = 1.0 self.caldict[legend]['C'] = 0.0 if not ('order' in self.caldict[legend]): if abs(self.caldict[legend]['C']) > 0.0: self.caldict[legend]['order'] = 2 else: self.caldict[legend]['order'] = 1 self.callist = self.caldict.keys() if specfit is None: self.specfit = Specfit.Specfit() else: self.specfit = specfit self.build() self.initIcons() self.initToolBar() self.connections() if self.dict ['y'] is not None: self.plot(x,y,legend) self.markermode = 0 self.linewidgets=[] self._toggleLogY() self.__peakmarkermode() def build(self): self.layout = qt.QVBoxLayout(self) self.layout.setContentsMargins(0, 0, 0, 0) self.layout.setSpacing(0) self.toolbar = qt.QWidget(self) self.toolbar.layout = qt.QHBoxLayout(self.toolbar) self.toolbar.layout.setContentsMargins(0, 0, 0, 0) self.toolbar.layout.setSpacing(0) self.layout.addWidget(self.toolbar) self.container = qt.QWidget(self) self.container.layout = qt.QVBoxLayout(self.container) self.container.layout.setContentsMargins(0, 0, 0, 0) self.container.layout.setSpacing(0) self.layout.addWidget(self.container) #The graph self.graph= PlotWidget.PlotWidget(self.container, backend=None) self.graph.setGraphXLabel('Channel') self.graph.setGraphYLabel('Counts') self.graph.setDataMargins(0.0, 0.0, 0.0, 0.0) #The calibration Widget self.bottomPanel = qt.QWidget(self.container) self.bottomPanel.layout = qt.QHBoxLayout(self.bottomPanel) self.bottomPanel.layout.setSpacing(6) if qt.QDesktopWidget().height() < LOW_HEIGHT_THRESHOLD: self.bottomPanel.layout.setContentsMargins(2, 2, 2, 2) else: self.bottomPanel.layout.setContentsMargins(10, 10, 10, 10) self.peakParameters = PeakSearchParameters(self.bottomPanel) self.bottomPanel.layout.addWidget(self.peakParameters) """ self.calpar = CalibrationParameters(self.bottomPanel) self.calpar. setSizePolicy(qt.QSizePolicy.Fixed, qt.QSizePolicy.Fixed) """ if QTVERSION < '4.0.0': self.bottomPanel.layout.addWidget(qt.HorizontalSpacer(self.bottomPanel)) #self.cal.setSizePolicy(qt.QSizePolicy.MinimumExpanding, qt.QSizePolicy.MinimumExpanding) self.peakParameters.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Fixed, qt.QSizePolicy.Fixed)) if self.__xrdMode: self.peakTable = XRDPeakTableWidget.XRDPeakTableWidget(self.bottomPanel) else: self.peakTable = PeakTableWidget.PeakTableWidget(self.bottomPanel) self.bottomPanel.layout.addWidget(self.peakTable) self.peakTable.verticalHeader().hide() if QTVERSION < '4.0.0': self.peakTable.setLeftMargin(0) self.container.layout.addWidget(self.graph) self.container.layout.addWidget(self.bottomPanel) #self.peakTable.setRowReadOnly(0,1) def initIcons(self): self.normalIcon = qt.QIcon(qt.QPixmap(IconDict["normal"])) self.zoomIcon = qt.QIcon(qt.QPixmap(IconDict["zoom"])) self.roiIcon = qt.QIcon(qt.QPixmap(IconDict["roi"])) self.peakIcon = qt.QIcon(qt.QPixmap(IconDict["peak"])) self.zoomResetIcon = qt.QIcon(qt.QPixmap(IconDict["zoomreset"])) self.roiResetIcon = qt.QIcon(qt.QPixmap(IconDict["roireset"])) self.peakResetIcon = qt.QIcon(qt.QPixmap(IconDict["peakreset"])) self.refreshIcon = qt.QIcon(qt.QPixmap(IconDict["reload"])) self.logxIcon = qt.QIcon(qt.QPixmap(IconDict["logx"])) self.logyIcon = qt.QIcon(qt.QPixmap(IconDict["logy"])) self.fitIcon = qt.QIcon(qt.QPixmap(IconDict["fit"])) self.searchIcon = qt.QIcon(qt.QPixmap(IconDict["peaksearch"])) def _resetZoom(self, dummyValue=None): return self.graph.resetZoom() def initToolBar(self): toolbar = self.toolbar #Zoom Reset self._addToolButton(self.zoomResetIcon, self._resetZoom, 'Auto-Scale the Graph') # Logarithmic self.yLogButton = self._addToolButton(self.logyIcon, self._toggleLogY, 'Toggle Logarithmic Y Axis (On/Off)', toggle=True) self.yLogButton.setChecked(False) self.yLogButton.setDown(False) # Search self._addToolButton(self.searchIcon, self.peakSearch, 'Clear Peak Table and Search Peaks') # Clear peaks self._addToolButton(self.peakResetIcon, self.clearPeaks, 'Clear Peak Table') # Manual Search self.__msb = self._addToolButton(self.peakIcon, self.manualsearch, 'Add a peak to the graph', toggle=True) self.toolbar.layout.addWidget(qt.HorizontalSpacer(toolbar)) label=qt.QLabel(toolbar) label.setText('Channel:') self.toolbar.layout.addWidget(label) self.xpos = qt.QLineEdit(toolbar) self.xpos.setText('------') self.xpos.setReadOnly(1) self.xpos.setFixedWidth(self.xpos.fontMetrics().width('########')) self.toolbar.layout.addWidget(self.xpos) label=qt.QLabel(toolbar) label.setText('Counts:') self.toolbar.layout.addWidget(label) self.ypos = qt.QLineEdit(toolbar) self.ypos.setText('------') self.ypos.setReadOnly(1) self.ypos.setFixedWidth(self.ypos.fontMetrics().width('#########')) self.toolbar.layout.addWidget(self.ypos) label=qt.QLabel(toolbar) if self.__xrdMode: label.setText('2Theta:') else: label.setText('Energy:') self.toolbar.layout.addWidget(label) self.epos = qt.QLineEdit(toolbar) self.epos.setText('------') self.epos.setReadOnly(1) self.epos.setFixedWidth(self.epos.fontMetrics().width('#########')) self.toolbar.layout.addWidget(self.epos) #rest toolbar2 = qt.QWidget(self) self.layout.addWidget(toolbar2) toolbar2.layout = qt.QHBoxLayout(toolbar2) toolbar2.layout.setContentsMargins(0, 0, 0, 0) toolbar2.layout.setSpacing(0) self.calpar = CalibrationParameters(toolbar2, calname=self.current,caldict=self.caldict, xrd=self.__xrdMode) self.calpar. setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Fixed, qt.QSizePolicy.Fixed)) self.okButton = qt.QPushButton(toolbar2) self.okButton.setText('OK') self.cancelButton = qt.QPushButton(toolbar2) self.cancelButton.setText('Cancel') if QTVERSION < '4.0.0': pass else: self.okButton.setAutoDefault(False) self.cancelButton.setAutoDefault(False) self.okButton. setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Fixed, qt.QSizePolicy.Fixed)) self.cancelButton. setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Fixed, qt.QSizePolicy.Fixed)) toolbar2.layout.addWidget(self.calpar) toolbar2.layout.addWidget(self.okButton) toolbar2.layout.addWidget(self.cancelButton) def _addToolButton(self, icon, action, tip, toggle=None): toolbar = self.toolbar tb = qt.QToolButton(toolbar) tb.setIcon(icon) tb.setToolTip(tip) if toggle is not None: if toggle: tb.setCheckable(1) self.toolbar.layout.addWidget(tb) tb.clicked.connect(action) return tb def _toggleLogY(self): if DEBUG: print("_toggleLogY") if self.graph.isYAxisLogarithmic(): self.setYAxisLogarithmic(False) else: self.setYAxisLogarithmic(True) def setYAxisLogarithmic(self, flag=True): self.graph.setYAxisLogarithmic(flag) self.yLogButton.setChecked(flag) self.yLogButton.setDown(flag) self._resetZoom() def connections(self): self.peakParameters.searchButton.clicked.connect(self.peakSearch) self.graph.sigPlotSignal.connect(self.__graphsignal) self.peakTable.sigPeakTableWidgetSignal.connect(self.__peakTableSignal) self.calpar.sigCalibrationParametersSignal.connect( \ self.__calparsignal) self.okButton.clicked.connect(self.accept) self.cancelButton.clicked.connect(self.reject) def plot(self,x,y,legend): #clear graph self.graph.clear() self.graph.addCurve(x, y , legend=legend, replot=True) self.dict['x'] = x self.dict['y'] = y self.dict['legend'] = legend #reset the zoom self._resetZoom() def peakSearch(self): if DEBUG: print("Peak search called") if self.__manualsearch: self.__manualsearch = 0 if QTVERSION < '4.0.0': self.__msb.setState(qt.QButton.Off) else: self.__msb.setChecked(0) #get current plot limits xmin,xmax=self.graph.getGraphXLimits() #set the data into specfit self.specfit.setdata(x=self.dict['x'], y=self.dict['y'], xmin=xmin, xmax=xmax) #get the search parameters from the interface pars = self.peakParameters.getParameters() if pars["AutoFwhm"]: fwhm = self.specfit.guess_fwhm() else: fwhm = pars["FwhmPoints"] if pars["AutoYscaling"]: yscaling = self.specfit.guess_yscaling() else: yscaling = pars["Yscaling"] sensitivity = pars["Sensitivity"] self.peakParameters.fwhmText.setText("%d" % fwhm) self.peakParameters.yscalingText.setText("%f" % yscaling) ysearch = self.specfit.ydata*yscaling peaksidx=SpecfitFuns.seek(ysearch,1,len(ysearch), fwhm, sensitivity) self.foundPeaks = [] self.graph.clearMarkers() self.__destroylinewidgets() self.peakTable.setRowCount(0) i = 0 for idx in peaksidx: self.foundPeaks.append(self.specfit.xdata[int(idx)]) #self.graph.insertx1marker(self.specfit.xdata[int(idx)],self.specfit.ydata[int(idx)]) self.graph.insertXMarker(self.specfit.xdata[int(idx)], legend="%d" % i, text=None, selectable=True, draggable=False, replot=False) i += 1 self.graph.replot() #make sure marker mode is on self.markermode = 0 self.__peakmarkermode() def clearpeaks(self): print("DEPRECATED: Use clearPeaks") return self.clearPeaks() def clearPeaks(self): self.foundPeaks = [] self.graph.clearMarkers() self.__destroylinewidgets() self.peakTable.clearPeaks() self.graph.replot() def manualsearch(self): #disable peak selection self.markermode = 1 self.__peakmarkermode() self.__manualsearch = 1 def __destroylinewidgets(self): for widget in self.linewidgets: widget.close(1) self.linewidgets=[] def __peakmarkermode(self): self.__manualsearch = 0 if self.markermode: self.graph.setCursor(qt.QCursor(qt.Qt.CrossCursor)) self.markermode = 0 self.graph.setZoomModeEnabled(False) else: self.markermode = 1 self.nomarkercursor = self.graph.cursor().shape() self.graph.setCursor(qt.QCursor(qt.Qt.PointingHandCursor)) self.graph.setZoomModeEnabled(True) #self.markerButton.setOn(self.markermode == 1) def __calparsignal(self,dict): if DEBUG: print("__calparsignal called dict = ",dict) if dict['event'] == 'coeff': current = dict['calname' ] self.current = current self.caldict[current]['order'] =dict['caldict'][dict['calname']]['order'] self.caldict[current]['A'] =dict['caldict'][dict['calname']]['A'] self.caldict[current]['B'] =dict['caldict'][dict['calname']]['B'] self.caldict[current]['C'] =dict['caldict'][dict['calname']]['C'] peakdict = self.peakTable.getDict() for peak in peakdict.keys(): channel = peakdict[peak]['channel'] calenergy = self.caldict[current]['A'] + \ self.caldict[current]['B'] * channel +\ self.caldict[current]['C'] * channel * channel self.peakTable.configure(name=peak,use=0, calenergy=calenergy) elif dict['event'] == 'order': current = dict['calname' ] self.current = current order = dict['caldict'][current]['order'] self.caldict[current]['order'] = order if order == "ID18": result = self.timeCalibratorCalibration() if result is None: return peak0, npeaks, delta, deltat = result[:] self.clearPeaks() self.foundPeaks = [] for i in range(int(npeaks)): channel = peak0 + i * delta calenergy = deltat * (i + 1) self.foundPeaks.append(channel) name = "%d" % i marker = self.graph.insertXMarker(channel, legend=name, color="red", replot=False) if name in self.peakTable.peaks.keys(): self.peakTable.configure(number=name, channel=channel, use=1, setenergy=calenergy, calenery=calenergy) else: nlines=self.peakTable.rowCount() self.peakTable.newpeakline(name, nlines+1) self.peakTable.configure(number=name, channel=channel, use=1, setenergy=calenergy, calenery=calenergy) #make sure we cannot select the peaks again self.markermode = 1 self.__peakmarkermode() self.graph.replot() else: self.caldict[current]['A'] = dict['caldict'][current]['A'] self.caldict[current]['B'] = dict['caldict'][current]['B'] self.caldict[current]['C'] = dict['caldict'][current]['C'] if self.caldict[current]['order'] == 'TOF': self.caldict[current]['vfix'] = dict['caldict'][current]['vfix'] self.__peakTableSignal({'event':'use'}) elif dict['event'] == 'savebox': current = dict['calname' ] if current not in self.caldict.keys(): self.caldict[current] = {} self.current = current self.caldict[current]['order'] = dict['caldict'][current]['order'] self.caldict[current]['A'] = dict['caldict'][current]['A'] self.caldict[current]['B'] = dict['caldict'][current]['B'] self.caldict[current]['C'] = dict['caldict'][current]['C'] elif dict['event'] == 'activated': # A comboBox has been selected if dict['boxname'] == 'Source': pass elif dict['boxname'] == 'Calibration': pass else: if DEBUG: print("Unknown combobox", dict['boxname']) else: print("Unknown signal ", dict) def __graphsignal(self, ddict): if DEBUG: print("__graphsignal called with dict = ", ddict) if ddict['event'] in ['markerClicked', 'markerSelected']: if DEBUG: print("Setting marker color") marker = int(ddict['label']) #The marker corresponds to the peak number channel = self.foundPeaks[marker] self.graph.insertXMarker(channel, legend=ddict['label'], color='red', replot=False) self.graph.replot() current = self.current calenergy = self.caldict[current]['A']+ \ self.caldict[current]['B'] * channel+ \ self.caldict[current]['C'] * channel * channel name = "Peak %d" % marker number = marker channel = ddict['x'] if self.__xrdMode: linewidget = XRDPeakTableWidget.XRDInputLine(self,name="Enter Selected Peak Parameters", peakpars={'name':name, 'number':number, 'channel':channel, 'use':1, 'cal2theta':calenergy, 'energy':self.__xrdEnergy, 'lambda_':self.__xrdLambda, 'particle':self.__xrdParticle}) else: linewidget = InputLine(self,name="Enter Selected Peak Parameters", peakpars={'name':name, 'number':number, 'channel':channel, 'use':1, 'calenergy':calenergy}) if QTVERSION < '4.0.0': ret = linewidget.exec_loop() else: ret = linewidget.exec_() if ret == qt.QDialog.Accepted: ddict=linewidget.getDict() if DEBUG: print("dict got from dialog = ",ddict) if ddict != {}: if name in self.peakTable.peaks.keys(): self.peakTable.configure(*ddict) else: nlines=self.peakTable.rowCount() ddict['name'] = name self.peakTable.newpeakline(name, nlines+1) self.peakTable.configure(**ddict) peakdict = self.peakTable.getDict() usedpeaks = [] for peak in peakdict.keys(): if peakdict[peak]['use'] == 1: if self.__xrdMode: self.__xrdLambda = ddict['lambda_'] self.__xrdParticle = ddict['particle'] self.__xrdEnergy = ddict['energy'] usedpeaks.append([peakdict[peak]['channel'], peakdict[peak]['set2theta']]) else: usedpeaks.append([peakdict[peak]['channel'], peakdict[peak]['setenergy']]) if len(usedpeaks): newcal = self.calculate(usedpeaks,order=self.caldict[current]['order']) if newcal is None: return self.caldict[current]['A'] = newcal[0] self.caldict[current]['B'] = newcal[1] self.caldict[current]['C'] = newcal[2] self.__peakTableSignal({'event':'use'}, calculate=False) else: if DEBUG: print("Dialog cancelled or closed ") self.graph.insertXMarker(channel, legend=ddict['label'], color='black', replot=False) self.graph.replot() del linewidget elif ddict['event'] in ["mouseMoved", 'MouseAt']: self.xpos.setText('%.1f' % ddict['x']) self.ypos.setText('%.1f' % ddict['y']) current = self.current if self.caldict[current]['order'] == 'TOF': calenergy = self.getTOFEnergy(ddict['x']) else: calenergy = self.caldict[current]['A']+ \ self.caldict[current]['B'] * ddict['x']+ \ self.caldict[current]['C'] * ddict['x'] * ddict['x'] self.epos.setText('%.3f' % calenergy) elif ddict['event'] in ['mouseClicked', 'MouseClick']: if self.__manualsearch: x = ddict['x'] y = ddict['y'] if (y <= 1.0): y=1.1 # insert the marker self.foundPeaks.append(x) legend = "%d" % (len(self.foundPeaks)-1) #self.graph.insertx1marker(self.specfit.xdata[int(idx)],self.specfit.ydata[int(idx)]) self.graph.insertXMarker(x, legend=legend, selectable=True, replot=False) self.graph.replot() self.markermode = 0 self.__peakmarkermode() self.__msb.setChecked(0) else: if DEBUG: print("Unhandled event ", ddict['event']) def __peakTableSignal(self, ddict, calculate=True): if DEBUG: print("__peaktablesignal called dict = ",ddict) if (ddict['event'] == 'use') or (ddict['event'] == 'setenergy'): #get table dictionary peakdict = self.peakTable.getDict() usedpeaks = [] for peak in peakdict.keys(): if peakdict[peak]['use'] == 1: if self.__xrdMode: usedpeaks.append([peakdict[peak]['channel'], peakdict[peak]['set2theta']]) else: usedpeaks.append([peakdict[peak]['channel'], peakdict[peak]['setenergy']]) if len(usedpeaks): if usedpeaks != [[0.0,0.0]]: current = self.current if calculate: newcal = self.calculate(usedpeaks,order=self.caldict[current]['order']) if newcal is None: return self.caldict[current]['A'] = newcal[0] self.caldict[current]['B'] = newcal[1] self.caldict[current]['C'] = newcal[2] self.calpar.setParameters(self.caldict[current]) for peak in peakdict.keys(): channel = peakdict[peak]['channel'] if self.caldict[current]['order'] == 'TOF': calenergy = self.getTOFEnergy(channel) else: calenergy = self.caldict[current]['A'] + \ self.caldict[current]['B'] * channel +\ self.caldict[current]['C'] * channel * channel if self.__xrdMode: self.peakTable.configure(name=peak, cal2theta=calenergy) else: self.peakTable.configure(name=peak, calenergy=calenergy) def timeCalibratorCalibration(self): self.peakSearch() # now we should have a list of peaks and the proper data to fit if 'Periodic Gaussians' not in self.specfit.theorylist: self.specfit.importfun("SpecfitFunctions.py") self.specfit.settheory('Periodic Gaussians') self.specfit.setbackground('Constant') fitconfig = {} fitconfig.update(self.specfit.fitconfig) fitconfig['WeightFlag'] = 1 fitconfig['McaMode'] = 0 self.specfit.configure(**fitconfig) try: self.specfit.estimate() except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Error on estimate: %s" % sys.exc_info()[1]) msg.exec_() return try: self.specfit.startfit() except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Error on Fit") msg.exec_() return npeaks = 0 delta = 0.0 peak0 = 0.0 for i in range(len(self.specfit.paramlist)): name = self.specfit.paramlist[i]['name'] if name == "Delta1": delta = self.specfit.paramlist[i]['fitresult'] elif name == 'N1': npeaks = self.specfit.paramlist[i]['fitresult'] elif name == 'Position1': peak0 = self.specfit.paramlist[i]['fitresult'] else: continue if (npeaks < 2) or (delta==0): msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Less than two peaks found") msg.exec_() return d = DoubleDialog(self, text='Enter peak separation in time:') d.setWindowTitle('Time calibration') ret = d.exec_() if ret != qt.QDialog.Accepted: return text = str(d.lineEdit.text()) if not len(text): deltat = 0.0 else: deltat = float(text) if (deltat == 0): msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Invalid peak separation %g" % deltat) msg.exec_() return return peak0, npeaks, delta, deltat def getTOFEnergy(self, x, calibration = None): if calibration is None: current = self.current A = self.caldict[current]['A'] B = self.caldict[current]['B'] C = self.caldict[current]['C'] else: A = calibration[0] B = calibration[1] C = calibration[2] return C + A / ((x - B) * (x - B)) def calculateTOF(self, usedpeaks): """ The calibration has the form: A E = Vret + --------- (x - B)^2 and Vret is given as input by the user. """ npeaks = len(usedpeaks) if npeaks < 2: return ch0, e0 = usedpeaks[0] ch1, e1 = usedpeaks[1] Vret = float(self.caldict[self.current]['C']) fixed = self.caldict[self.current]['vfix'] #calculate B Eterm = (e0 - Vret)/(e1 - Vret) a = Eterm - 1.0 b = -2 * (Eterm * ch0 - ch1) c = Eterm * ch0 * ch0 - ch1 * ch1 # I should check if b^2 - 4ac is less than zero # and I have to choose the appropriate sign B = 0.5 * (-b + numpy.sqrt(b * b - 4.0 * a * c))/a #calculate A A = (e0 - Vret) * (ch0 - B) * (ch0 - B) #refine if more than three peaks if npeaks > 3: parameters = numpy.array([A, B, Vret]) x = numpy.arange(npeaks * 1.0) y = numpy.arange(npeaks * 1.0) for i in range(npeaks): x[i] = usedpeaks[i][0] y[i] = usedpeaks[i][1] try: codes = numpy.zeros((3,3), numpy.float) if fixed: codes[0,2] = Gefit.CFIXED fittedpar, chisq, sigmapar = Gefit.LeastSquaresFit(self.functionTOF, parameters, xdata=x, ydata=y, constrains=codes, model_deriv=self.functionTOFDerivative) if chisq != None: A= fittedpar[0] B= fittedpar[1] Vret= fittedpar[2] except: msg=qt.QMessageBox(self.AText) msg.setWindowTitle(sys.exc_info()[0]) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Error on fit:\n%s" % sys.exc_info()[1]) msg.exec_() return (A, B, Vret) def functionTOF(self, param, x): A = param[0] B = param[1] C = param[2] return C + A / ((x - B) * (x - B)) def functionTOFDerivative(self, param, index, x): A = param[0] B = param[1] if index == 0: return self.functionTOF([1.0, B, 0.0], x) if index == 1: return A * pow((x-B), -3) if index == 2: return numpy.ones(x.shape, numpy.float) def calculate(self, usedpeaks, order=1): """ used peaks has the form [[x0,e0],[x1,e1],...] """ if order == "TOF": return self.calculateTOF(usedpeaks) if len(usedpeaks) == 1: if (usedpeaks[0][0] - 0.0) > 1.0E-20: return [0.0,usedpeaks[0][1]/usedpeaks[0][0],0.0] else: if DEBUG: print("Division by zero") current = self.current return [self.caldict[current]['A'], self.caldict[current]['B'], self.caldict[current]['C']] if (order > 1) and (len(usedpeaks) == 2): usedpeaks.append([0.0,0.0]) usedarray = numpy.array(usedpeaks).astype(numpy.float) energy = usedarray[:,1] channel= usedarray[:,0] if order < 2: X = numpy.array([numpy.ones(len(channel)), channel]) else: X= numpy.array([numpy.ones(len(channel)), channel, channel*channel]) TX = numpy.transpose(X) XTX= numpy.dot(X, TX) INV= inverse(XTX) PC = numpy.dot(energy, TX) C = numpy.dot(PC, INV) if order==1: result= tuple(C.tolist())+(0.,) else: result= tuple(C.tolist()) return result def getdict(self): print("DEPRECATED. Use getDict") return self.getDict() def getDict(self): ddict = {} ddict.update(self.caldict) return ddict class PeakSearchParameters(qt.QWidget): def __init__(self, parent=None, name="", specfit=None, config=None, searchbutton=1, fl=0): if QTVERSION < '4.0.0': qt.QWidget.__init__(self, parent, name, fl) self.setCaption(name) else: qt.QWidget.__init__(self, parent) self.setWindowTitle(name) if specfit is None: self.specfit = Specfit.Specfit() else: specfit = specfit if config is None: config=self.specfit.fitconfig if "AutoYscaling" in config: autoscaling = config["AutoYscaling"] else: autoscaling = 0 self.searchButtonFlag = searchbutton parameters= { "FwhmPoints": config["FwhmPoints"], "Sensitivity": config["Sensitivity"], "Yscaling": config["Yscaling"], "AutoYscaling": autoscaling, "AutoFwhm": 0 } self.build() self.setParameters(parameters) def build(self): if 1: if QTVERSION < '4.0.0': layout= qt.QVBoxLayout(self) layout.setContentsMargins(0, 0, 0, 0) layout.setSpacing(0) # --- parameters parf= qt.QHGroupBox(self) parf.setTitle('Search Parameters') parf.setAlignment(qt.Qt.AlignHCenter) parw= qt.QWidget(parf) else: layout= qt.QVBoxLayout(self) if qt.QDesktopWidget().height() < LOW_HEIGHT_THRESHOLD: lowHeight = True else: lowHeight = False if lowHeight: layout.setContentsMargins(0, 0, 0, 0) layout.setSpacing(0) # --- parameters parf= qt.QGroupBox(self) parf.layout = qt.QVBoxLayout(parf) parf.setTitle('Search Parameters') parf.setAlignment(qt.Qt.AlignHCenter) parw= qt.QWidget(parf) parf.layout.addWidget(parw) else: parw = self if QTVERSION < '4.0.0': if self.searchButtonFlag: grid= qt.QGridLayout(parw, 4, 3) else: grid= qt.QGridLayout(parw, 3, 3) else: grid= qt.QGridLayout(parw) if lowHeight: grid.setContentsMargins(0, 0, 0, 0) grid.setSpacing(2) lab= qt.QLabel("Sensitivity", parw) grid.addWidget(lab, 0, 0, qt.Qt.AlignLeft) lab= qt.QLabel("Fwhm (pts)", parw) grid.addWidget(lab, 1, 0, qt.Qt.AlignLeft) lab= qt.QLabel("Yscaling", parw) grid.addWidget(lab, 2, 0, qt.Qt.AlignLeft) self.sensitivityText= MyQLineEdit(parw) grid.addWidget(self.sensitivityText, 0, 1) self.fwhmText= MyQLineEdit(parw) grid.addWidget(self.fwhmText, 1, 1) self.yscalingText= MyQLineEdit(parw) grid.addWidget(self.yscalingText, 2, 1) self.fwhmAuto= qt.QCheckBox("Auto", parw) self.fwhmAuto.toggled[bool].connect(self.__fwhmToggled) grid.addWidget(self.fwhmAuto, 1, 2, qt.Qt.AlignLeft) self.yscalingAuto= qt.QCheckBox("Auto", parw) self.yscalingAuto.toggled[bool].connect(self.__yscalingToggled) grid.addWidget(self.yscalingAuto, 2, 2, qt.Qt.AlignLeft) if self.searchButtonFlag: self.searchButton = qt.QPushButton(parw) self.searchButton.setText('Search') grid.addWidget(self.searchButton, 3, 1) self.searchButton.setAutoDefault(0) layout.addWidget(parf) text = "Enter a positive number above 2.0\n" text += "A higher number means a lower sensitivity." self.sensitivityText.setToolTip(text) text = "Enter a positive integer." self.fwhmText.setToolTip(text) text = "If your data are averaged or normalized,\n" text += "enter the scaling factor for your data to\n" text += "follow a normal distribution." self.yscalingText.setToolTip(text) for w in [self.sensitivityText, self.fwhmText, self.yscalingText]: validator = qt.QDoubleValidator(w) w.setValidator(validator) def setParameters(self, pars): self.sensitivityText.setText(str(pars["Sensitivity"])) self.fwhmText.setText(str(pars["FwhmPoints"])) self.yscalingText.setText(str(pars["Yscaling"])) self.fwhmAuto.setChecked(pars["AutoFwhm"]) self.yscalingAuto.setChecked(pars["AutoYscaling"]) #self.specfit.configure(pars) def getParameters(self): pars= {} pars["Sensitivity"]= float(str(self.sensitivityText.text())) pars["FwhmPoints"]= float(str(self.fwhmText.text())) pars["Yscaling"]= float(str(self.yscalingText.text())) pars["AutoFwhm"]= self.fwhmAuto.isChecked() pars["AutoYscaling"]= self.yscalingAuto.isChecked() self.specfit.configure(**pars) return pars def __fwhmToggled(self, on): if on: self.fwhmText.setReadOnly(1) else: self.fwhmText.setReadOnly(0) def __yscalingToggled(self, on): if on: self.yscalingText.setReadOnly(1) else: self.yscalingText.setReadOnly(0) class CalibrationParameters(qt.QWidget): sigCalibrationParametersSignal = qt.pyqtSignal(object) def __init__(self, parent=None, name="", calname="", caldict = {},fl=0, xrd=False): if QTVERSION < '4.0.0': qt.QWidget.__init__(self, parent, name, fl) self.setCaption(name) else: qt.QWidget.__init__(self, parent) self.__xrdMode = xrd self.caldict=caldict if calname not in self.caldict.keys(): self.caldict[calname] = {} self.caldict[calname]['order'] = 1 self.caldict[calname]['A'] = 0.0 self.caldict[calname]['B'] = 1.0 self.caldict[calname]['C'] = 0.0 self.currentcal = calname self.build() self.setParameters(self.caldict[calname]) self.connections() def build(self): layout= qt.QHBoxLayout(self) if qt.QDesktopWidget().height() < LOW_HEIGHT_THRESHOLD: layout.setContentsMargins(0, 0, 0, 0) parw = self lab= qt.QLabel("Order:", parw) if QTVERSION < '4.0.0': self.orderbox = SimpleComboBox(parw, options=['1st','2nd']) else: if self.__xrdMode: self.orderbox = SimpleComboBox(parw, options=['1st','2nd']) else: self.orderbox = SimpleComboBox(parw, options=['1st','2nd','TOF', 'ID18']) layout.addWidget(lab) layout.addWidget(self.orderbox) lab= qt.QLabel("A:", parw) #self.AText= qt.QLineEdit(parw) self.AText= MyQLineEdit(parw) layout.addWidget(lab) layout.addWidget(self.AText) lab= qt.QLabel("B:", parw) self.BText= MyQLineEdit(parw) layout.addWidget(lab) layout.addWidget(self.BText) self.CLabel= qt.QLabel("C:", parw) layout.addWidget(self.CLabel) self.CText= MyQLineEdit(parw) if QTVERSION > '4.0.0': self.CFixed = qt.QCheckBox(self) self.CFixed.setText('Fixed') self.CFixed.setChecked(True) layout.addWidget(self.CFixed) self.CFixed.hide() layout.addWidget(self.CText) if 0: self.savebut= qt.QPushButton(parw) self.savebut.setText("Add as") else: lab = qt.QLabel("Add as", parw) layout.addWidget(lab) self.savebox = SimpleComboBox(parw, options=self.caldict.keys()) layout.addWidget(self.savebox) self.savebox.setEditable(1) self.savebox.setDuplicatesEnabled(0) def connections(self): self.AText.editingFinished[()].connect(self._Aslot) self.BText.editingFinished[()].connect(self._Bslot) self.CText.editingFinished[()].connect(self._Cslot) self.CFixed.clicked.connect(self._CFixSlot) self.orderbox.activated[str].connect(self.__orderbox) self.savebox.activated[str].connect(self.__savebox) def setParameters(self, pars): self.AText.setText("%.4g" % pars["A"]) self.BText.setText("%.4g" % pars["B"]) self.CText.setText("%.4g" % pars["C"]) if pars['order'] != 1: if pars['order'] == 'TOF': self.orderbox.setCurrentIndex(2) else: self.orderbox.setCurrentIndex(1) self.CText.setReadOnly(0) else: self.orderbox.setCurrentIndex(0) self.CText.setReadOnly(1) self.caldict[self.currentcal]["A"] = pars["A"] self.caldict[self.currentcal]["B"] = pars["B"] self.caldict[self.currentcal]["C"] = pars["C"] self.caldict[self.currentcal]["order"] = pars["order"] def getcurrentdict(self): return self.caldict[self.currentcal] def getcurrentcal(self): return self.current def getdict(self): print("DEPRECATED. Use getDict") return self.getDict() def getDict(self): return self.caldict def _CFixSlot(self): self.__orderbox(QString('TOF')) def __orderbox(self,qstring): qstring = str(qstring) if qstring == "1st": self.caldict[self.currentcal]['order'] = 1 self.CText.setText("0.0") self.CText.setReadOnly(1) self.CLabel.setText("C:") self.caldict[self.currentcal]['C'] = 0.0 if QTVERSION > '4.0.0': self.CFixed.hide() elif qstring == "TOF": self.caldict[self.currentcal]['order'] = 'TOF' self.caldict[self.currentcal]['vfix'] = self.CFixed.isChecked() self.CLabel.setText("Vr:") self.CText.setReadOnly(0) self.CFixed.show() elif qstring == "ID18": self.caldict[self.currentcal]['order'] = 'ID18' self.CLabel.setText("C:") self.CText.setReadOnly(1) if QTVERSION > '4.0.0': self.CFixed.hide() else: self.caldict[self.currentcal]['order'] = 2 self.CLabel.setText("C:") self.CText.setReadOnly(0) if QTVERSION > '4.0.0': self.CFixed.hide() self.myslot(event='order') def __savebox(self,qstring): key = str(qstring) if key not in self.caldict.keys(): self.caldict[key] = {} if QTVERSION < '4.0.0': self.caldict[key]['order'] = self.orderbox.currentItem()+1 else: self.caldict[key]['order'] = self.orderbox.currentIndex()+1 if self.caldict[key]['order'] == 3: self.caldict[key]['order'] = "TOF" self.caldict[key]['A'] = float(str(self.AText.text())) self.caldict[key]['B'] = float(str(self.BText.text())) self.caldict[key]['C'] = float(str(self.CText.text())) self.currentcal = key self.myslot(event='savebox') def _Aslot(self): qstring = self.AText.text() try: value = float(str(qstring)) self.caldict[self.currentcal]['A'] = value self.myslot(event='coeff') except: msg=qt.QMessageBox(self.AText) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Invalid Float") if QTVERSION < '4.0.0': msg.exec_loop() else: msg.exec_() self.AText.setFocus() def _Bslot(self): qstring = self.BText.text() try: value = float(str(qstring)) self.caldict[self.currentcal]['B'] = value self.myslot(event='coeff') except: msg=qt.QMessageBox(self.BText) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Invalid Float") if QTVERSION < '4.0.0': msg.exec_loop() else: msg.exec_() self.BText.setFocus() def _Cslot(self): qstring = self.CText.text() try: value = float(str(qstring)) self.caldict[self.currentcal]['C'] = value self.myslot(event='coeff') except: msg=qt.QMessageBox(self.CText) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Invalid Float") if QTVERSION < '4.0.0': msg.exec_loop() else: msg.exec_() self.CText.setFocus() def myslot(self,*var,**kw): if DEBUG: print("Cal Parameters Slot ",var,kw) print(self.caldict[self.currentcal]) if 'event' in kw: ddict={} if (kw['event'] == 'order'): ddict={} ddict['event'] = "order" ddict['calname'] = self.currentcal ddict['caldict'] = self.caldict if (kw['event'] == 'coeff'): ddict={} ddict['event'] = "coeff" ddict['calname' ] = self.currentcal ddict['caldict'] = self.caldict if (kw['event'] == 'savebox'): ddict={} ddict['event'] = "savebox" ddict['calname' ] = self.currentcal ddict['caldict'] = self.caldict self.sigCalibrationParametersSignal.emit(ddict) class MyQLineEdit(qt.QLineEdit): def __init__(self,parent=None,name=None): qt.QLineEdit.__init__(self,parent) if QTVERSION > '4.0.0': self.setAutoFillBackground(True) def setPaletteBackgroundColor(self, color): if QTVERSION < '4.0.0': qt.QLineEdit.setPaletteBackgroundColor(self,color) else: palette = qt.QPalette() role = self.backgroundRole() palette.setColor(role,color) self.setPalette(palette) def focusInEvent(self,event): if QTVERSION < '4.0.0': self.backgroundcolor = self.paletteBackgroundColor() self.setPaletteBackgroundColor(qt.QColor('yellow')) qt.QLineEdit.focusInEvent(self, event) def focusOutEvent(self,event): self.setPaletteBackgroundColor(qt.QColor('white')) qt.QLineEdit.focusOutEvent(self, event) class DoubleDialog(qt.QDialog): def __init__(self, parent=None, text=None, value=None): qt.QDialog.__init__(self, parent) self.mainLayout = qt.QGridLayout(self) label = qt.QLabel(self) if text is None: text = "" label.setText(text) self.lineEdit = qt.QLineEdit(self) validator = qt.QDoubleValidator(self.lineEdit) self.lineEdit.setValidator(validator) if value is not None: self.lineEdit.setValue('%g' % value) self.okButton = qt.QPushButton(self) self.okButton.setText('OK') self.cancelButton = qt.QPushButton(self) self.cancelButton.setText('Cancel') self.okButton.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Fixed, qt.QSizePolicy.Fixed)) self.cancelButton.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Fixed, qt.QSizePolicy.Fixed)) self.mainLayout.addWidget(label, 0, 0) self.mainLayout.addWidget(self.lineEdit, 0, 1) self.mainLayout.addWidget(self.okButton, 1, 0) self.mainLayout.addWidget(self.cancelButton, 1, 1) self.okButton.clicked.connect(self.accept) self.cancelButton.clicked.connect(self.reject) class InputLine(qt.QDialog): def __init__(self,parent ,name = "Peak Parameters",modal=1, peakpars={}): qt.QDialog.__init__(self, parent) self.setModal(modal) self.setWindowTitle(name) self.resize(600,200) layout = qt.QVBoxLayout(self) self.table = PeakTableWidget.PeakTableWidget(self) layout.addWidget(self.table) self.bottom = qt.QWidget(self) self.bottom.layout = qt.QHBoxLayout(self.bottom) layout.addWidget(self.bottom) self.bottom.layout.addWidget(qt.HorizontalSpacer(self.bottom)) okbutton = qt.QPushButton(self.bottom) self.bottom.layout.addWidget(okbutton) okbutton.setText('OK') cancelbutton = qt.QPushButton(self.bottom) cancelbutton.setText('Cancel') self.bottom.layout.addWidget(cancelbutton) okbutton.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Fixed, qt.QSizePolicy.Fixed)) cancelbutton.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Fixed, qt.QSizePolicy.Fixed)) self.bottom.layout.addWidget(qt.HorizontalSpacer(self.bottom)) cancelbutton.clicked.connect(self.reject) okbutton.clicked.connect(self.accept) if 'name' in peakpars: peakname = peakpars['name'] else: peakname = 'PEAK 1' if 'number' in peakpars: number = peakpars['number'] else: number = 1 if 'channel' in peakpars: channel = peakpars['channel'] else: channel = 0 if 'element' in peakpars: element = peakpars['element'] else: element = '-' if 'elementline' in peakpars: elementline = peakpars['elementline'] else: elementline = '-' if elementline == '-': if 'setenergy' in peakpars: setenergy = peakpars['setenergy'] else: setenergy = '0.0' if 'use' in peakpars: use = peakpars['use'] else: use = 1 if 'calenergy' in peakpars: calenergy = peakpars['calenergy'] else: calenergy = "" self.table.newpeakline(peakname, 1) self.peakname = peakname self.table.configure(name=peakname, number=number, channel=channel, element=element, elementline=elementline, setenergy=setenergy, use=use, calenergy=calenergy) def getdict(self): print("DEPRECATED. Use getDict") return self.getDict() def getDict(self): ddict=self.table.getDict(self.peakname) return ddict class McaCalCopy(qt.QDialog): def __init__(self,parent=None ,name = None,modal=1,fl=0, legend=None,sourcecal=None,currentcal=None,caldict=None): #fl=qt.Qt.WDestructiveClose): if legend is None: legend= 'Active Curve' name = "Enter Calibration for %s" % legend if QTVERSION < '4.0.0': qt.QDialog.__init__(self, parent, name, modal, fl) self.setCaption(name) else: qt.QDialog.__init__(self, parent) self.setWindowTitle(name) self.setModal(modal) layout0 = qt.QVBoxLayout(self) layout0.setContentsMargins(0, 0, 0, 0) layout0.setSpacing(0) currentcal = legend if sourcecal is None: sourcecal = [0.0,1.0,0.0] if caldict is None: caldict = {} self.caldict = caldict self.currentcal = currentcal if currentcal in caldict.keys(): currentval = [caldict[currentcal]['A'], caldict[currentcal]['B'], caldict[currentcal]['C']] else: currentval = [0.0,1.0,0.0] # --- source --- if QTVERSION < '4.0.0': sgroup = qt.QHGroupBox(self) else: sgroup = qt.QGroupBox(self) sgrouplayout = qt.QHBoxLayout(sgroup) sgrouplayout.setContentsMargins(0, 0, 0, 0) sgrouplayout.setSpacing(0) sgroup.setTitle('Calibration from Source (Read Only)') sgroup.setAlignment(qt.Qt.AlignHCenter) layout0.addWidget(sgroup) w = qt.QWidget(sgroup) wlayout= qt.QVBoxLayout(w) wlayout.setContentsMargins(0, 0, 0, 0) wlayout.setSpacing(0) if QTVERSION < '4.0.0': pass else: sgroup.layout().addWidget(w) """ l = qt.QHBox(w) qt.HorizontalSpacer(l) sourcelabel = qt.QLabel(l) qt.HorizontalSpacer(l) f = sourcelabel.font() f.setBold(1) sourcelabel.setText('Calibration from Source') """ lines = qt.QWidget(w) lineslayout = qt.QHBoxLayout(lines) lineslayout.setContentsMargins(0, 0, 0, 0) lineslayout.setSpacing(0) asl=qt.QLabel(lines) asl.setText('A:') asl.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Fixed, qt.QSizePolicy.Fixed)) as_=qt.QLineEdit(lines) as_.setReadOnly(1) as_.setText("%.4g" % sourcecal[0]) bsl=qt.QLabel(lines) bsl.setText('B:') bsl.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Fixed, qt.QSizePolicy.Fixed)) bs=qt.QLineEdit(lines) bs.setReadOnly(1) bs.setText("%.4g" % sourcecal[1]) csl=qt.QLabel(lines) csl.setText('C:') csl.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Fixed, qt.QSizePolicy.Fixed)) cs=qt.QLineEdit(lines) cs.setReadOnly(1) cs.setText("%.4g" % sourcecal[2]) lineslayout.addWidget(asl) lineslayout.addWidget(as_) lineslayout.addWidget(bsl) lineslayout.addWidget(bs) lineslayout.addWidget(csl) lineslayout.addWidget(cs) wlayout.addWidget(lines) # --- PyMca/Current --- if QTVERSION < '4.0.0': cgroup = qt.QHGroupBox(self) else: cgroup = qt.QGroupBox(self) cgrouplayout = qt.QHBoxLayout(cgroup) cgrouplayout.setContentsMargins(0, 0, 0, 0) cgrouplayout.setSpacing(0) layout0.addWidget(cgroup) fontc = cgroup.font() fontc.setBold(1) cgroup.setFont(fontc) cgroup.setTitle('Enter New Calibration (PyMca)') cgroup.setAlignment(qt.Qt.AlignHCenter) wc = qt.QWidget(cgroup) wclayout = qt.QVBoxLayout(wc) wclayout.setContentsMargins(0, 0, 0, 0) wclayout.setSpacing(3) if QTVERSION < '4.0.0': pass else: cgrouplayout.addWidget(wc) linec = qt.QWidget(wc) lineclayout = qt.QHBoxLayout(linec) lineclayout.setContentsMargins(0, 0, 0, 0) lineclayout.setSpacing(0) wclayout.addWidget(linec) acl=qt.QLabel(linec) #acl.setFont(font) acl.setText('A:') acl.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Fixed, qt.QSizePolicy.Fixed)) self.AText=MyQLineEdit(linec) self.AText.setReadOnly(0) self.AText.setText("%.4g" % currentval[0]) bcl=qt.QLabel(linec) #bcl.setFont(font) bcl.setText('B:') bcl.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Fixed, qt.QSizePolicy.Fixed)) self.BText=MyQLineEdit(linec) self.BText.setReadOnly(0) self.BText.setText("%.4g" % currentval[1]) ccl=qt.QLabel(linec) #ccl.setFont(font) ccl.setText('C:') ccl.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Fixed, qt.QSizePolicy.Fixed)) self.CText=MyQLineEdit(linec) self.CText.setReadOnly(0) self.CText.setText("%.4g" % currentval[2]) lineclayout.addWidget(acl) lineclayout.addWidget(self.AText) lineclayout.addWidget(bcl) lineclayout.addWidget(self.BText) lineclayout.addWidget(ccl) lineclayout.addWidget(self.CText) self.AText.editingFinished[()].connect(self._Aslot) self.BText.editingFinished[()].connect(self._Bslot) self.CText.editingFinished[()].connect(self._Cslot) # --- available for copy --- if len(caldict.keys()): wid = qt.QWidget(wc) wfont = wid.font() wfont.setBold(0) wid.setFont(wfont) layout2=qt.QHBoxLayout(wid) layout2.setContentsMargins(0, 0, 0, 0) layout2.setSpacing(3) copybut = qt.QPushButton(wid) copybut.setText('Copy From') copybut.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Fixed,qt.QSizePolicy.Fixed)) copybut.clicked.connect(self.__copybuttonclicked) self.combo = SimpleComboBox(wid,options=caldict.keys()) self.combo.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Expanding,qt.QSizePolicy.Fixed)) layout2.addWidget(copybut) layout2.addWidget(self.combo) wclayout.addWidget(wid) # --- dialog buttons --- bottom = qt.QWidget(self) bottomlayout = qt.QHBoxLayout(bottom) bottomlayout.setContentsMargins(0, 0, 0, 0) bottomlayout.setSpacing(0) layout0.addWidget(bottom) bottomlayout.addWidget(qt.HorizontalSpacer(bottom)) okbutton = qt.QPushButton(bottom) okbutton.setText('OK') bottomlayout.addWidget(okbutton) cancelbutton = qt.QPushButton(bottom) cancelbutton.setText('Cancel') bottomlayout.addWidget(cancelbutton) okbutton.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Fixed, qt.QSizePolicy.Fixed)) cancelbutton.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Fixed, qt.QSizePolicy.Fixed)) bottomlayout.addWidget(qt.HorizontalSpacer(bottom)) cancelbutton.clicked.connect(self.reject) okbutton.clicked.connect(self.accept) self.AText.setFocus() def _Aslot(self): qstring = self.AText.text() try: float(str(qstring)) except: msg=qt.QMessageBox(self.AText) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Invalid Float") msg.exec_() self.AText.setFocus() def _Bslot(self): qstring = self.BText.text() try: float(str(qstring)) except: msg=qt.QMessageBox(self.BText) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Invalid Float") msg.exec_() self.BText.setFocus() def _Cslot(self): qstring = self.CText.text() try: float(str(qstring)) except: msg=qt.QMessageBox(self.CText) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Invalid Float") msg.exec_() self.CText.setFocus() def __copybuttonclicked(self): item, text = self.combo.getCurrent() self.AText.setText("%.7g" % self.caldict[text]['A']) self.BText.setText("%.7g" % self.caldict[text]['B']) self.CText.setText("%.7g" % self.caldict[text]['C']) def getdict(self): print("DEPRECATED. Use getDict") return self.getDict() def getDict(self): ddict = {} ddict[self.currentcal] = {} ddict[self.currentcal]['A'] = float(str(self.AText.text())) ddict[self.currentcal]['B'] = float(str(self.BText.text())) ddict[self.currentcal]['C'] = float(str(self.CText.text())) if ddict[self.currentcal]['C'] != 0.0: ddict[self.currentcal]['order'] = 2 else: ddict[self.currentcal]['order'] = 1 self.caldict.update(ddict) return copy.deepcopy(self.caldict) class SimpleComboBox(qt.QComboBox): def __init__(self,parent = None,name = None,fl = 0,options=['1','2','3']): qt.QComboBox.__init__(self,parent) self.setOptions(options) def setOptions(self,options=['1','2','3']): self.clear() for item in options: self.addItem(QString(item)) def getCurrent(self): return self.currentIndex(),str(self.currentText()) def test(x,y,legend): app = qt.QApplication(args) demo = McaCalWidget(x=x,y=y,modal=1,legend=legend) ret=demo.exec_() if ret == qt.QDialog.Accepted: ddict=demo.getDict() else: ddict={} print(" output = ", ddict) demo.close() del demo #app.exec_loop() if __name__ == '__main__': import os import getopt from PyMca5 import specfilewrapper as specfile options = 'f:s:o' longoptions = ['file=','scan=','pkm=', 'output=','linear=','strip=', 'maxiter=','sumflag=','plotflag='] opts, args = getopt.getopt( sys.argv[1:], options, longoptions) inputfile = None scan = None pkm = None scankey = None plotflag = 0 strip = 1 linear = 0 for opt,arg in opts: if opt in ('-f','--file'): inputfile = arg if opt in ('-s','--scan'): scan = arg if opt in ('--pkm'): pkm = arg if opt in ('--linear'): linear = int(float(arg)) if opt in ('--strip'): strip = int(float(arg)) if opt in ('--maxiter'): maxiter = int(float(arg)) if opt in ('--sum'): sumflag = int(float(arg)) if opt in ('--plotflag'): plotflag = int(float(arg)) if len(sys.argv) > 1: inputfile = sys.argv[1] if inputfile is None: from PyMca5 import PyMcaDataDir inputfile = os.path.join(PyMcaDataDir.PYMCA_DATA_DIR, 'XRFSpectrum.mca') sf=specfile.Specfile(inputfile) if scankey is None: scan=sf[len(sf) - 1] else: scan=sf.select(scankey) nbmca=scan.nbmca() mcadata=scan.mca(nbmca) y=numpy.array(mcadata).astype(numpy.float) x=numpy.arange(len(y)).astype(numpy.float) test(x,y,inputfile) PyMca5-5.2.2/PyMca5/PyMcaGui/physics/xrf/EnergyTable.py0000644000276300001750000006144213136054446022550 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os import numpy from . import QXTube from PyMca5.PyMcaCore import PyMcaDirs from PyMca5.PyMcaGui import PyMca_Icons as Icons from PyMca5.PyMcaGui import PyMcaFileDialogs qt = QXTube.qt QTVERSION = qt.qVersion() DEBUG=0 class EnergyTab(qt.QWidget): def __init__(self,parent=None, name="Energy Tab"): qt.QWidget.__init__(self, parent) layout = qt.QVBoxLayout(self) layout.setContentsMargins(0, 0, 0, 0) layout.setSpacing(4) hbox = qt.QWidget(self) self.hbox = qt.QHBoxLayout(hbox) self.hbox.setContentsMargins(0, 0, 0, 0) self.hbox.setSpacing(0) self.tube = QXTube.QXTube(hbox) self.table = EnergyTable(hbox) self.hbox.addWidget(self.tube) self.hbox.addWidget(self.table) self.tube.plot() self.tube.hide() self.outputFilter = None self.inputDir = None self.outputDir = None self.__calculating = 0 self.tubeActionsBox = qt.QWidget(self) actionsLayout = qt.QHBoxLayout(self.tubeActionsBox) actionsLayout.setContentsMargins(0, 0, 0, 0) actionsLayout.setSpacing(0) #tube setup button self.tubeButton = qt.QPushButton(self.tubeActionsBox) self.tubeButton.setText("Open X-Ray Tube Setup") actionsLayout.addWidget(self.tubeButton, 1) #load new energy table self.tubeLoadButton = qt.QPushButton(self.tubeActionsBox) self.tubeLoadButton.setText("Load Table") actionsLayout.addWidget(self.tubeLoadButton, 0) #save seen energy table self.tubeSaveButton = qt.QPushButton(self.tubeActionsBox) self.tubeSaveButton.setText("Save Table") actionsLayout.addWidget(self.tubeSaveButton, 0) layout.addWidget(self.tubeActionsBox) layout.addWidget(hbox) self.tubeButton.clicked.connect(self.tubeButtonClicked) self.tubeLoadButton.clicked.connect(self.loadButtonClicked) self.tubeSaveButton.clicked.connect(self.saveButtonClicked) self.tube.sigQXTubeSignal.connect(self.__tubeUpdated) def tubeButtonClicked(self): if self.tube.isHidden(): self.tube.show() self.tubeButton.setText("Close X-Ray Tube Setup") self.tubeLoadButton.hide() self.tubeSaveButton.hide() else: self.tube.hide() self.tubeLoadButton.show() self.tubeSaveButton.show() self.tubeButton.setText("Open X-Ray Tube Setup") def loadButtonClicked(self): if self.inputDir is None: if self.inputDir is not None: self.inputDir = self.outputDir else: self.inputDir = PyMcaDirs.inputDir wdir = self.inputDir if not os.path.exists(wdir): wdir = os.getcwd() filename = PyMcaFileDialogs.getFileList(self, filetypelist=["Energy table files (*.csv)"], mode="OPEN", message="Choose energy table file", currentdir=wdir, single=True) if len(filename): filename = qt.safe_str(filename[0]) if len(filename): try: self.loadEnergyTableParameters(filename) self.inputDir = os.path.dirname(filename) PyMcaDirs.inputDir = self.inputDir except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Error loading energy table: %s" % (sys.exc_info()[1])) msg.exec_() def loadEnergyTableParameters(self, filename): if sys.platform == "win32" and (sys.version < "3.0.0"): ffile = open(filename, "rb") else: ffile = open(filename, "r") lines = ffile.read() ffile.close() lines = lines.replace("\r","\n") lines = lines.replace('\n\n',"\n") lines = lines.replace(";"," ") lines = lines.replace("\t"," ") lines = lines.replace('"',"") lines = lines.split("\n") if (len(lines) == 1) or\ ((len(lines) == 2) and (len(lines[1])==0)): #clear table ddict={} ddict['energylist'] = [None] ddict['weightlist'] = [1.0] ddict['flaglist'] = [1] ddict['scatterlist'] = [1] else: ddict={} ddict['energylist'] = [] ddict['weightlist'] = [] ddict['flaglist'] = [] ddict['scatterlist'] = [] for i in range(1, len(lines)): line = lines[i] if not len(line): continue ene, weight, useflag, scatterflag = map(float, line.split(" ")) if ene > 0: ddict['energylist'].append(ene) else: ddict['energylist'].append(None) ddict['weightlist'].append(weight) ddict['flaglist'].append(int(useflag)) ddict['scatterlist'].append(int(scatterflag)) energylist, weightlist, flaglist, scatterlist = self.table.getParameters() lold = len(energylist) lnew = len(ddict['energylist']) if lold > lnew: energylist = [None] * lold weightlist = [0.0] * lold flaglist = [0] * lold scatterlist = [0] * lold energylist[0:lnew] = ddict['energylist'][0:lnew] weightlist[0:lnew] = ddict['weightlist'][0:lnew] flaglist[0:lnew] = ddict['flaglist'][0:lnew] scatterlist[0:lnew] = ddict['scatterlist'][0:lnew] self.table.setParameters(energylist, weightlist, flaglist, scatterlist) else: self.table.setParameters(ddict["energylist"], ddict["weightlist"], ddict["flaglist"], ddict["scatterlist"]) def saveButtonClicked(self): energylist, weightlist, flaglist, scatterlist = self.table.getParameters() if self.outputDir is None: if self.inputDir is not None: self.outputDir = self.inputDir else: self.outputDir = PyMcaDirs.outputDir wdir = self.outputDir format_list = ['";"-separated CSV *.csv', '","-separated CSV *.csv', '"tab"-separated CSV *.csv'] if self.outputFilter is None: self.outputFilter = format_list[0] outfile, filterused = PyMcaFileDialogs.getFileList(self, filetypelist=format_list, mode="SAVE", message="Output File Selection", currentdir=wdir, currentfilter=self.outputFilter, getfilter=True, single=True) if len(outfile): outputFile = qt.safe_str(outfile[0]) else: return self.outputFilter = qt.safe_str(filterused) filterused = self.outputFilter.split() try: self.outputDir = os.path.dirname(outputFile) PyMcaDirs.outputDir = os.path.dirname(outputFile) except: self.outputDir = "." if not outputFile.endswith('.csv'): outputFile += '.csv' #always overwrite if os.path.exists(outputFile): os.remove(outputFile) try: if sys.version < "3.0.0": ffile=open(outputFile,'wb') else: ffile=open(outputFile,'w') except IOError: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Input Output Error: %s" % (sys.exc_info()[1])) msg.exec_() return if "," in filterused[0]: csv = "," elif ";" in filterused[0]: csv = ";" else: csv = "\t" ffile.write('"energy"%s"weight"%s"flag"%s"scatter"\n' % (csv, csv, csv)) #write the scatter lines in first instance alreadysaved = [] for i in range(len(energylist)): if (energylist[i] is not None) and \ (scatterlist[i] == 1): ffile.write("%f%s%f%s%d%s%d\n" % \ (energylist[i], csv, weightlist[i], csv, flaglist[i], csv, scatterlist[i])) alreadysaved.append(i) for i in range(len(energylist)): if energylist[i] is not None: if i not in alreadysaved: ffile.write("%f%s%f%s%d%s%d\n" % \ (energylist[i], csv, weightlist[i], csv, flaglist[i], csv, scatterlist[i])) ffile.close() def __tubeUpdated(self, d): if self.__calculating:return else: self.__calculating = 1 self.table.setParameters(d["energylist"], d["weightlist"], d["flaglist"], d["scatterlist"]) self.__calculating = 0 self.tubeButtonClicked() QTable = qt.QTableWidget class EnergyTable(QTable): sigEnergyTableSignal = qt.pyqtSignal(object) def __init__(self, parent=None, name="Energy Table", energylist=None, weightlist=None, flaglist=None,offset=None,scatterlist=None): QTable.__init__(self, parent) if energylist is None:energylist=[] if weightlist is None:weightlist =[] if flaglist is None:flaglist =[] if scatterlist is None:scatterlist =[] if offset is None:offset = 0 self.energyList = energylist self.weightList = weightlist self.flagList = flaglist self.offset = offset self.scatterList = scatterlist self.verticalHeader().hide() self.dataColumns = 20 if QTVERSION < '4.0.0': self.setLeftMargin(0) self.setFrameShape(qttable.QTable.NoFrame) #self.setFrameShadow(qttable.QTable.Sunken) self.setSelectionMode(qttable.QTable.Single) self.setNumCols(3 * self.dataColumns) self.setFocusStyle(qttable.QTable.FollowStyle) else: if DEBUG: print("margin") print("frame shape") print("selection mode") print("focus style") print("all of them missing") self.setColumnCount(3 * self.dataColumns) labels = [] for i in range(self.dataColumns): labels.append("Use" + i * " ") labels.append("Energy" + i * " ") labels.append("Weight" + i * " ") if QTVERSION < '4.0.0': for label in labels: self.horizontalHeader().setLabel(labels.index(label),label) else: if DEBUG: print("margin to addjust") print("focus style") self.setFrameShape(qt.QTableWidget.NoFrame) self.setSelectionMode(qt.QTableWidget.NoSelection) self.setColumnCount(len(labels)) for i in range(len(labels)): item = self.horizontalHeaderItem(i) if item is None: item = qt.QTableWidgetItem(labels[i],qt.QTableWidgetItem.Type) self.setHorizontalHeaderItem(i,item) self.__rows = 20 self.__build(self.dataColumns * 20) self.__disconnected = False for i in range(self.dataColumns): if DEBUG: print("column adjustment missing") self.cellChanged[int, int].connect(self.mySlot) def _itemSlot(self, *var): self.mySlot(self.currentRow(), self.currentColumn()) def __build(self,nrows=None): #self.setNumRows(int(nrows/2)) if nrows is None: nrows = self.__rows *self.dataColumns if QTVERSION < '4.0.0': self.setNumRows(int(nrows/self.dataColumns)) else: self.setRowCount(int(nrows/self.dataColumns)) if QTVERSION > '4.0.0': rheight = self.horizontalHeader().sizeHint().height() for idx in range(self.rowCount()): self.setRowHeight(idx, rheight) coloffset = 0 rowoffset = 0 for idx in range(nrows): text = "Energy %3d" % (idx) if idx >= (nrows/self.dataColumns): rowoffset= (-int(idx/self.__rows))*(nrows/self.dataColumns) coloffset= 3*int(idx/self.__rows) r = idx + rowoffset color = qt.Qt.white if len(self.scatterList): if idx < len(self.scatterList): if (self.scatterList[idx] is not None)and \ (self.scatterList[idx] != "None"): if self.scatterList[idx]:color = qt.QColor(255, 20, 147) elif idx == 0: color = qt.QColor(255, 20, 147) if QTVERSION < '4.0.0': #item= qttable.QCheckTableItem(self, text) self.viewport().setPaletteBackgroundColor(color) item= ColorQTableItem(self, text, color) self.setItem(r, 0+coloffset, item) else: item = self.cellWidget(r, 0+coloffset) if item is None: item= ColorQTableItem(self, text, color) self.setCellWidget(r, 0+coloffset, item) item.stateChanged[int].connect(self._itemSlot) else: item.setText(text) oldcolor = item.color if color != oldcolor: item.setColor(color) item.repaint(item.rect()) if idx < len(self.energyList): item.setChecked(self.flagList[idx]) if (self.energyList[idx] is not None) and \ (self.energyList[idx] != "None"): self.setText(r, 1+coloffset, "%f" % self.energyList[idx]) else: self.setText(r, 1+coloffset,"") else: item.setChecked(False) self.setText(r, 1+coloffset,"") if idx < len(self.weightList): self.setText(r, 2+coloffset,"%f" % self.weightList[idx]) else: self.setText(r, 2+coloffset,"") def setParameters(self, energylist, weightlist, flaglist, scatterlist=None): if isinstance(energylist, numpy.ndarray): self.energyList=energylist.tolist() elif type(energylist) != type([]): self.energyList=[energylist] else: self.energyList =energylist if isinstance(weightlist, numpy.ndarray): self.weightList=weightlist.tolist() elif type(weightlist) != type([]): self.energyList=[weightlist] else: self.weightList =weightlist if isinstance(flaglist, numpy.ndarray): self.flagList=flaglist.tolist() elif type(flaglist) != type([]): self.flagList=[flaglist] else: self.flagList =flaglist if scatterlist is None: scatterlist = numpy.zeros(len(self.energyList)).tolist() scatterlist[0] = 1 if isinstance(scatterlist, numpy.ndarray): self.scatterList=scatterlist.tolist() elif type(scatterlist) != type([]): self.scatterList=[scatterlist] else: self.scatterList =scatterlist self.__fillTable() def getParameters(self): if QTVERSION < '4.0.0': nrows = self.numRows()*self.dataColumns else: nrows = self.rowCount() * self.dataColumns coloffset = 0 rowoffset = 0 energyList = [] weightList = [] flagList = [] scatterList = [] for idx in range(nrows): if idx >= (nrows/self.dataColumns): rowoffset= (-int(idx/self.__rows))*(nrows/self.dataColumns) coloffset= 3*int(idx/self.__rows) r = idx + rowoffset if QTVERSION < '4.0.0': item = self.item(r,0+coloffset) energyflag = int(item.isChecked()) else: item = self.cellWidget(r,0+coloffset) if item is None: #this should never happen continue else: energyflag = int(item.isChecked()) if item.color == qt.Qt.white: scatterflag = 0 else: scatterflag = 1 text = str(self.text(r,1+coloffset)) text=text.replace(" ","") if len(text): try: energy = float(text) except: energyflag = 0 energy = None else: energyflag = 0 energy = None text = str(self.text(r,2+coloffset)) text=text.replace(" ","") if len(text): try: energyweight = float(text) except: energyflag = 0 energyweight= 0.0 else: energyflag = 0 energyweight = 0.0 energyList.append(energy) weightList.append(energyweight) flagList.append(energyflag) scatterList.append(scatterflag) return energyList, weightList, flagList, scatterList def __fillTable(self): self.__disconnected = True try: self.__build(max(self.__rows*self.dataColumns,len(self.energyList))) for i in range(self.dataColumns): if QTVERSION < '4.0.0': self.adjustColumn(0 + 3*i) else: if DEBUG: print("column adjustment missing") except: self.__disconnected = False raise self.__disconnected = False ddict = self._getDict() if ddict != {}: ddict['event'] = "TableFilled" ddict['row'] = 0 ddict['col'] = 0 self.sigEnergyTableSignal.emit(ddict) def mySlot(self,row,col): if self.__disconnected:return if DEBUG: print("Value changed row = %d col = %d" % (row, col)) print("Text = %s" % self.text(row,col)) if (col != 0) and (col !=3) and (col != 6) and (col != 9): try: s = str(self.text(row, col)) s=s.replace(" ","") if len(s): float(s) except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Invalid Float") msg.exec_() return ddict = self._getDict() if ddict != {}: ddict['event'] = "ValueChanged" ddict['row'] = row ddict['col'] = col self.sigEnergyTableSignal.emit(ddict) def text(self, row, col): if (col % 3) in [1,2]: item = self.item(row , col) if item is not None: return item.text() else: return '' def setText(self, row, col, text): #ncol = self.columnCount() if (col % 3) in [1,2]: item = self.item(row, col) if item is None: item = qt.QTableWidgetItem(text, qt.QTableWidgetItem.Type) self.setItem(row, col, item) else: item.setText(text) else: if DEBUG: print("checkbox can be called?") pass def _getDict(self): ddict ={} n = self.rowCount() ddict['energy'] = [] ddict['rate'] = [] ddict['flag'] = [] ddict['scatterflag'] = [] for i in range(n * self.dataColumns): if i >= (n*self.__rows/self.dataColumns): rowoffset= (-int(i/self.__rows))*(self.__rows) r = i + rowoffset coffset= 3*int(i/self.__rows) else: r = i coffset= 0 try: #if 1: s = str(self.text(r, 1+coffset)) s=s.replace(" ","") if len(s): ene=float(s) selfitem = self.cellWidget(r, 0+coffset) if selfitem.isChecked(): flag = 1 else: flag = 0 if selfitem.color != qt.Qt.white: scatterflag = 1 else: scatterflag = 0 s = str(self.text(r, 2+coffset)) s=s.replace(" ","") if len(s): rate = float(s) ddict['flag'].append(flag) ddict['energy'].append(ene) ddict['rate'].append(rate) ddict['scatterflag'].append(scatterflag) except: #else: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("EnergyTable: Error on energy %d" % i) msg.exec_() return {} return ddict class ColorQTableItem(qt.QCheckBox): def __init__(self, table, text, color=qt.Qt.white,bold=0): qt.QCheckBox.__init__(self, table) self.color = color self.bold = bold self.setText(text) #this is one critical line self.setAutoFillBackground(1) def setColor(self, color): self.color = color def paintEvent(self, painter): #this is the other (self.palette() is not appropriate) palette = qt.QPalette() role = self.backgroundRole() palette.setColor(role, self.color) self.setPalette(palette) return qt.QCheckBox.paintEvent(self, painter) def main(args): app=qt.QApplication(args) #tab = AttenuatorsTableWidget(None) def dummy(ddict): print("dict =",ddict) tab = EnergyTable(None) energy = numpy.arange(100.).astype(numpy.float)+ 1.5 weight = numpy.ones(len(energy), numpy.float) flag = numpy.zeros(len(energy)).tolist() scatterlist = numpy.zeros(len(energy)) scatterlist[0:10] = 1 tab.setParameters(energy, weight, flag, scatterlist) tab.sigEnergyTableSignal.connect(dummy) tab.show() app.exec_() if __name__=="__main__": main(sys.argv) PyMca5-5.2.2/PyMca5/PyMcaGui/physics/xrf/McaAdvancedTable.py0000644000276300001750000003063213136054446023442 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" from PyMca5.PyMcaGui import PyMcaQt as qt if hasattr(qt, "QString"): QString = qt.QString else: QString = str QTVERSION = qt.qVersion() DEBUG=0 QTable = qt.QTableWidget class McaTable(QTable): sigMcaTableSignal = qt.pyqtSignal(object) sigClosed = qt.pyqtSignal(object) def __init__(self, *args,**kw): QTable.__init__(self, *args) if 'labels' in kw: self.labels=[] for label in kw['labels']: self.labels.append(label) else: #self.labels=['Element','Group','Energy','Ratio','Fit Area','MCA Area','Sigma','Fwhm','Chisq'] self.labels=['Element','Group','Fit Area','Sigma','Energy','Ratio','FWHM','Chi square'] self.setColumnCount(len(self.labels)) for i in range(len(self.labels)): item = self.horizontalHeaderItem(i) if item is None: item = qt.QTableWidgetItem(self.labels[i], qt.QTableWidgetItem.Type) item.setText(self.labels[i]) self.setHorizontalHeaderItem(i,item) self.regionlist=[] self.regiondict={} if QTVERSION < '5.0.0': self.verticalHeader().setClickable(True) else: self.verticalHeader().setSectionsClickable(True) self.verticalHeader().sectionClicked.connect(self.__myslot) self.itemSelectionChanged.connect(self.__myslot) #self.connect(self,qt.SIGNAL("selectionChanged()"),self.__myslot) #self.setSelectionMode(qttable.QTable.SingleRow) def fillfrommca(self,result,diag=1): line=0 #calculate the number of rows nrows = 0 for group in result['groups']: nrows += 1 for peak in result[group]['peaks']: nrows += 1 for peak0 in result[group]['escapepeaks']: peak = peak0+"esc" if result[group][peak]['ratio'] > 0.0: nrows += 1 self.setRowCount(nrows) for group in result['groups']: ele,group0 = group.split() fitarea = QString("%.4e" % (result[group]['fitarea'])) sigmaarea = QString("%.2e" % (result[group]['sigmaarea'])) fields = [ele,group0,fitarea,sigmaarea] col = 0 color = qt.QColor('white') nlines = self.rowCount() if (line+1) > nlines: self.setRowCount(line+1) for i in range(len(self.labels)): if i < len(fields): item = self.item(line, col) text = fields[i] if item is None: item = qt.QTableWidgetItem(text, qt.QTableWidgetItem.Type) self.setItem(line, col, item) else: item.setText(text) if hasattr(item, "setBackground"): item.setBackground(color) else: item.setBackgroundColor(color) item.setFlags(qt.Qt.ItemIsSelectable| qt.Qt.ItemIsEnabled) else: item = self.item(line, col) if item is not None: item.setText("") #self.setItem(line, col, item) col=col+1 line += 1 #Lemon Chiffon = (255,250,205) color = qt.QColor(255,250,205) for peak in result[group]['peaks']: name = peak energy = QString("%.3f" % (result[group][peak]['energy'])) ratio = QString("%.5f" % (result[group][peak]['ratio'])) area = QString("%.4e" % (result[group][peak]['fitarea'])) sigma = QString("%.2e" % (result[group][peak]['sigmaarea'])) fwhm = QString("%.3f" % (result[group][peak]['fwhm'])) chisq = QString("%.2f" % (result[group][peak]['chisq'])) if (line+1) > nlines: self.setRowCount(line+1) fields = [name,area,sigma,energy,ratio,fwhm,chisq] col = 1 for field in fields: item = self.item(line, col) text = field if item is None: item = qt.QTableWidgetItem(text, qt.QTableWidgetItem.Type) self.setItem(line, col, item) else: item.setText(text) if hasattr(item, "setBackground"): item.setBackground(color) else: item.setBackgroundColor(color) item.setFlags(qt.Qt.ItemIsSelectable| qt.Qt.ItemIsEnabled) col=col+1 line+=1 for peak0 in result[group]['escapepeaks']: peak = peak0+"esc" if result[group][peak]['ratio'] > 0.0: energy = QString("%.3f" % (result[group][peak]['energy'])) ratio = QString("%.5f" % (result[group][peak]['ratio'])) area = QString("%.4e" % (result[group][peak]['fitarea'])) sigma = QString("%.2e" % (result[group][peak]['sigmaarea'])) fwhm = QString("%.3f" % (result[group][peak]['fwhm'])) chisq = QString("%.2f" % (result[group][peak]['chisq'])) if (line+1) > nlines: self.setRowCount(line+1) fields = [peak,area,sigma,energy,ratio,fwhm,chisq] col = 1 for field in fields: item = self.item(line, col) if item is None: item = qt.QTableWidgetItem(field, qt.QTableWidgetItem.Type) self.setItem(line, col, item) else: item.setText(field) if hasattr(item, "setBackground"): item.setBackground(color) else: item.setBackgroundColor(color) item.setFlags(qt.Qt.ItemIsSelectable| qt.Qt.ItemIsEnabled) col=col+1 line+=1 for i in range(self.columnCount()): if i>-1: self.resizeColumnToContents(i) def __getfitpar(self,result): if result['fitconfig']['fittheory'].find("Area") != -1: fitlabel='Area' elif result['fitconfig']['fittheory'].find("Hypermet") != -1: fitlabel='Area' else: fitlabel='Height' values = [] sigmavalues = [] for param in result['paramlist']: if param['name'].find('ST_Area') != -1: # value and sigmavalue defined via fitlabel values[-1] = value * (1.0 + param['fitresult']) #just an approximation sigmavalues[-1] = sigmavalue * (1.0 + param['fitresult']) elif param['name'].find('LT_Area')!= -1: pass elif param['name'].find(fitlabel) != -1: value = param['fitresult'] sigmavalue = param['sigma'] values.append(value) sigmavalues.append(sigmavalue) return fitlabel, values, sigmavalues def __myslot(self,*var): ddict={} if len(var) == 0: #selection changed event #get the current selection ddict['event'] = 'McaTableClicked' row = self.currentRow() else: #Header click ddict['event'] = 'McaTableRowHeaderClicked' row = var[0] ccol = self.currentColumn() ddict['row' ] = row ddict['col'] = ccol ddict['labelslist'] = self.labels if row >= 0: col = 0 for label in self.labels: item = self.item(row, col) if item is not None: text = item.text() try: ddict[label] = float(str(text)) except: ddict[label] = str(text) col +=1 self.sigMcaTableSignal.emit(ddict) def gettext(self): lemon= ("#%x%x%x" % (255,250,205)).upper() if QTVERSION < '4.0.0': hb = self.horizontalHeader().paletteBackgroundColor() hcolor = ("#%x%x%x" % (hb.red(),hb.green(),hb.blue())).upper() else: if DEBUG: print("color background to implement") hcolor = ("#%x%x%x" % (230,240,249)).upper() text = "" text += ("") text += ("") text += ("") ncols = self.columnCount() for l in range(ncols): text+=('") text+=("") #text+=( str(QString("
")) nrows = self.rowCount() for r in range(nrows): text+=("") moretext = "" item = self.item(r, 0) if item is not None: moretext = str(item.text()) if len(moretext): color = "white" b="" else: b="" color = lemon for c in range(ncols): moretext = "" item = self.item(r, c) if item is not None: moretext = str(item.text()) if len(moretext): finalcolor = color else: finalcolor = "white" if c<2: text+=('") else: text+=("") moretext = "" item = self.item(r, 0) if item is not None: moretext = str(item.text()) if len(moretext): text+=("") text+=("") #text+=( str(QString("
")) text+=("\n") text+=("
' % hcolor) text+=(str(self.horizontalHeaderItem(l).text())) text+=("
%s' % (finalcolor,b)) else: text+=('%s' % (finalcolor,b)) text+= moretext if len(b): text+=("
") text+=("
") return text def closeEvent(self, event): QTable.closeEvent(self, event) ddict={} ddict['event']= 'closed' self.sigClosed.emit(ddict) PyMca5-5.2.2/PyMca5/PyMcaGui/physics/xrf/QXTube.py0000644000276300001750000004503213136054446021514 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" from PyMca5.PyMcaPhysics import Elements from PyMca5.PyMcaPhysics import XRayTubeEbel import numpy from PyMca5.PyMcaGui import PlotWindow from PyMca5.PyMcaGui import PyMcaQt as qt DEBUG = 0 if qt.qVersion() > '4.0.0': class QGridLayout(qt.QGridLayout): def addMultiCellWidget(self, w, r0, r1, c0, c1, *var): self.addWidget(w, r0, c0, 1 + r1 - r0, 1 + c1 - c0) class QXTube(qt.QWidget): sigQXTubeSignal = qt.pyqtSignal(object) def __init__(self, parent=None, initdict = None): qt.QWidget.__init__(self, parent) self.l = qt.QVBoxLayout(self) self.l.setContentsMargins(0, 0, 0, 0) self.l.setSpacing(0) self.tubeWidget = TubeWidget(self, initdict = initdict) self.setParameters = self.tubeWidget.setParameters self.getParameters = self.tubeWidget.getParameters label = qt.QLabel(self) hbox = qt.QWidget(self) hboxl = qt.QHBoxLayout(hbox) hboxl.setContentsMargins(0, 0, 0, 0) hboxl.setSpacing(0) self.plotButton = qt.QPushButton(hbox) self.plotButton.setText("Plot Continuum") self.exportButton = qt.QPushButton(hbox) self.exportButton.setText("Export to Fit") #grid.addWidget(self.plotButton, 7, 1) #grid.addWidget(self.exportButton, 7, 3) hboxl.addWidget(self.plotButton) hboxl.addWidget(self.exportButton) self.l.addWidget(self.tubeWidget) f = label.font() f.setItalic(1) label.setFont(f) label.setAlignment(qt.Qt.AlignRight) label.setText("H. Ebel, X-Ray Spectrometry 28 (1999) 255-266 ") self.l.addWidget(label) self.l.addWidget(hbox) self.graph = PlotWindow.PlotWindow(self, backend=None) self.l.addWidget(self.graph) self.graph.setGraphXLabel("Energy (keV)") self.graph.setGraphYLabel("photons/sr/mA/keV/s") self.plotButton.clicked.connect(self.plot) self.exportButton.clicked.connect(self._export) def plot(self): d = self.tubeWidget.getParameters() transmission = d["transmission"] anode = d["anode"] anodedensity = d["anodedensity"] anodethickness = d["anodethickness"] voltage = d["voltage"] wele = d["window"] wdensity = d["windowdensity"] wthickness = d["windowthickness"] fele = d["filter1"] fdensity = d["filter1density"] fthickness = d["filter1thickness"] filterlist =[[fele, fdensity, fthickness]] alphae = d["alphae"] alphax = d["alphax"] delta = d["deltaplotting"] e = numpy.arange(1, voltage, delta) if __name__ == "__main__": continuumR = XRayTubeEbel.continuumEbel([anode, anodedensity, anodethickness], voltage, e, [wele, wdensity, wthickness], alphae=alphae, alphax=alphax, transmission=0, targetthickness=anodethickness, filterlist=filterlist) continuumT = XRayTubeEbel.continuumEbel([anode, anodedensity, anodethickness], voltage, e, [wele, wdensity, wthickness], alphae=alphae, alphax=alphax, transmission=1, targetthickness=anodethickness, filterlist=filterlist) self.graph.addCurve(e, continuumR, "continuumR", replot=False) self.graph.addCurve(e, continuumT, "continuumT", replot=False) else: continuum = XRayTubeEbel.continuumEbel([anode, anodedensity, anodethickness], voltage, e, [wele, wdensity, wthickness], alphae=alphae, alphax=alphax, transmission=transmission, targetthickness=anodethickness, filterlist=filterlist) self.graph.addCurve(e, continuum, "continuum", replot=False) self.graph.resetZoom() self.graph.replot() def _export(self): d = self.tubeWidget.getParameters() transmission = d["transmission"] anode = d["anode"] anodedensity = d["anodedensity"] anodethickness = d["anodethickness"] voltage = d["voltage"] wele = d["window"] wdensity = d["windowdensity"] wthickness = d["windowthickness"] fele = d["filter1"] fdensity = d["filter1density"] fthickness = d["filter1thickness"] filterlist =[[fele, fdensity, fthickness]] alphae = d["alphae"] alphax = d["alphax"] delta = d["deltaplotting"] e = numpy.arange(1, voltage, delta) d["event"] = "TubeUpdated" d["energyplot"] = e d["continuum"] = XRayTubeEbel.continuumEbel([anode, anodedensity, anodethickness], voltage, e, [wele, wdensity, wthickness], alphae=alphae, alphax=alphax, transmission=transmission, targetthickness=anodethickness, filterlist=filterlist) fllines = XRayTubeEbel.characteristicEbel([anode, anodedensity, anodethickness], voltage, [wele, wdensity, wthickness], alphae=alphae, alphax=alphax, transmission=transmission, targetthickness=anodethickness, filterlist=filterlist) d["characteristic"] = fllines if DEBUG: fsum = 0.0 for l in fllines: print("%s %.4f %.3e" % (l[2],l[0],l[1])) fsum += l[1] print(fsum) energy, energyweight, energyscatter = XRayTubeEbel.generateLists([anode, anodedensity, anodethickness], voltage, window = [wele, wdensity, wthickness], alphae = alphae, alphax = alphax, transmission = transmission, targetthickness=anodethickness, filterlist=filterlist) d["energylist"] = energy d["weightlist"] = energyweight d["scatterlist"] = energyscatter d["flaglist"] = numpy.ones(len(energy)) self.sigQXTubeSignal.emit(d) class TubeWidget(qt.QWidget): def __init__(self, parent=None, initdict = None): qt.QWidget.__init__(self, parent) self._build() self.anodeCombo.sigMyQComboBoxSignal.connect(self._anodeSlot) self.windowCombo.sigMyQComboBoxSignal.connect(self._windowSlot) self.filter1Combo.sigMyQComboBoxSignal.connect(self._filter1Slot) self.transmissionCheckBox.clicked.connect(self._transmissionSlot) if initdict is not None: self.setParameters(initdict) else: d = {} d["transmission"] = 0 d["voltage"] = 30.0 d["anode"] = "Ag" d["anodethickness"] = 0.0002 d["anodedensity"] = Elements.Element["Ag"]["density"] d["window"] = "Be" d["windowthickness"] = 0.0125 d["windowdensity"] = Elements.Element["Be"]["density"] d["filter1"] = "He" d["filter1thickness"]= 0.0 d["filter1density"] = Elements.Element["He"]["density"] d["alphax"] = 90.0 d["alphae"] = 90.0 d["deltaplotting"] = 0.10 self.setParameters(d) def _build(self): layout = qt.QVBoxLayout(self) layout.setContentsMargins(11, 11, 11, 11) gridwidget = qt.QWidget(self) grid = QGridLayout(gridwidget) grid.setContentsMargins(0, 0, 0, 0) grid.setSpacing(6) self.transmissionCheckBox = qt.QCheckBox(gridwidget) self.transmissionCheckBox.setText("Transmission Tube") voltage = qt.QLabel(gridwidget) voltage.setText("Voltage") self.voltage = qt.QLineEdit(gridwidget) grid.addMultiCellWidget(self.transmissionCheckBox, 0 ,0, 0, 1) grid.addWidget(voltage, 0 ,2) grid.addWidget(self.voltage, 0 ,3) #materials mlabel = qt.QLabel(gridwidget) mlabel.setText("Material") dlabel = qt.QLabel(gridwidget) dlabel.setText("Density (g/cm3)") tlabel = qt.QLabel(gridwidget) tlabel.setText("Thickness (cm)") #anode anodelabel = qt.QLabel(gridwidget) anodelabel.setText("Anode") self.anodeCombo = MyQComboBox(gridwidget, options = Elements.ElementList) self.anodeDensity = qt.QLineEdit(gridwidget) self.anodeThickness = qt.QLineEdit(gridwidget) #window windowlabel = qt.QLabel(gridwidget) windowlabel.setText("Window") self.windowCombo = MyQComboBox(gridwidget, options = Elements.ElementList) self.windowDensity = qt.QLineEdit(gridwidget) self.windowThickness = qt.QLineEdit(gridwidget) grid.addWidget(mlabel, 1 ,1) grid.addWidget(dlabel, 1 ,2) grid.addWidget(tlabel, 1 ,3) grid.addWidget(anodelabel, 2, 0) grid.addWidget(self.anodeCombo, 2, 1) grid.addWidget(self.anodeDensity, 2, 2) grid.addWidget(self.anodeThickness, 2, 3) grid.addWidget(windowlabel, 3, 0) grid.addWidget(self.windowCombo, 3, 1) grid.addWidget(self.windowDensity, 3, 2) grid.addWidget(self.windowThickness, 3, 3) #filter1 filter1label = qt.QLabel(gridwidget) filter1label.setText("Filter") self.filter1Combo = MyQComboBox(gridwidget, options = Elements.ElementList) self.filter1Density = qt.QLineEdit(gridwidget) self.filter1Thickness = qt.QLineEdit(gridwidget) grid.addWidget(filter1label, 4, 0) grid.addWidget(self.filter1Combo, 4, 1) grid.addWidget(self.filter1Density, 4, 2) grid.addWidget(self.filter1Thickness, 4, 3) #angles alphaelabel = qt.QLabel(gridwidget) alphaelabel.setText("Alpha electron") self.alphaE = qt.QLineEdit(gridwidget) alphaxlabel = qt.QLabel(gridwidget) alphaxlabel.setText("Alpha x-ray") self.alphaX = qt.QLineEdit(gridwidget) grid.addWidget(alphaelabel, 5, 2) grid.addWidget(self.alphaE, 5, 3) grid.addWidget(alphaxlabel, 6, 2) grid.addWidget(self.alphaX, 6, 3) #delta energy deltalabel = qt.QLabel(gridwidget) deltalabel.setText("Delta energy (keV) just for plotting") self.delta = qt.QLineEdit(gridwidget) grid.addMultiCellWidget(deltalabel, 7, 7, 0, 3) grid.addWidget(self.delta, 7, 3) layout.addWidget(gridwidget) def setParameters(self, d): """ d["transmission"] = 1 d["anode"] = "Ag" d["anodethickness"] = 0.0002 d["anodedensity"] = None d["window"] = "Be" d["windowthickness"] = 0.0125 d["windowdensity"] = None d["anglex"] = 90.0 d["anglee"] = 90.0 d["deltaplotting"] = 0.2 """ if "transmission" in d: if d["transmission"]: self.transmissionCheckBox.setChecked(1) else: self.transmissionCheckBox.setChecked(0) self._transmissionSlot() if "voltage" in d: self.voltage.setText("%.1f" % d["voltage"]) if "anode" in d: self.anodeCombo.setCurrentIndex(Elements.ElementList.index(d["anode"])) self.anodeDensity.setText("%f" % Elements.Element[d["anode"]]["density"]) if "anodethickness" in d: self.anodeThickness.setText("%f" % d["anodethickness"]) if "anodedensity" in d: self.anodeDensity.setText("%f" % d["anodedensity"]) if "window" in d: self.windowCombo.setCurrentIndex(Elements.ElementList.index(d["window"])) self.windowDensity.setText("%f" % Elements.Element[d["window"]]["density"]) if "windowthickness" in d: self.windowThickness.setText("%f" % d["windowthickness"]) if "windowdensity" in d: self.windowDensity.setText("%f" % d["windowdensity"]) if "filter1" in d: self.filter1Combo.setCurrentIndex(Elements.ElementList.index(d["filter1"])) self.filter1Density.setText("%f" % Elements.Element[d["filter1"]]["density"]) if "filter1thickness" in d: self.filter1Thickness.setText("%f" % d["filter1thickness"]) if "filter1density" in d: self.filter1Density.setText("%f" % d["filter1density"]) if "alphax" in d: self.alphaX.setText("%.1f" % d["alphax"]) if "alphae" in d: self.alphaE.setText("%.1f" % d["alphae"]) if "deltaplotting" in d: self.delta.setText("%.3f" % d["deltaplotting"]) def getParameters(self): d = {} if self.transmissionCheckBox.isChecked(): d["transmission"] = 1 else: d["transmission"] = 0 d["voltage"] = float(str(self.voltage.text())) d["anode"] = self.anodeCombo.getCurrent()[1] d["anodethickness"] = float(str(self.anodeThickness.text())) d["anodedensity"] = float(str(self.anodeDensity.text())) d["window"] = self.windowCombo.getCurrent()[1] d["windowthickness"] = float(str(self.windowThickness.text())) d["windowdensity"] = float(str(self.windowDensity.text())) d["filter1"] = self.filter1Combo.getCurrent()[1] d["filter1thickness"] = float(str(self.filter1Thickness.text())) d["filter1density"] = float(str(self.filter1Density.text())) d["alphax"] = float(str(self.alphaX.text())) d["alphae"] = float(str(self.alphaE.text())) d["deltaplotting"] = float(str(self.delta.text())) return d def _anodeSlot(self, ddict): if DEBUG: print("_anodeSlot", ddict) self.anodeDensity.setText("%f" % Elements.Element[ddict["element"]]["density"]) def _windowSlot(self, ddict): if DEBUG: print("_windowSlot", ddict) self.windowDensity.setText("%f" % Elements.Element[ddict["element"]]["density"]) def _filter1Slot(self, ddict): if DEBUG: print("_filter1Slot", ddict) self.filter1Density.setText("%f" % Elements.Element[ddict["element"]]["density"]) def _transmissionSlot(self): if DEBUG: print("_transmissionSlot") if self.transmissionCheckBox.isChecked(): self.anodeThickness.setEnabled(1) else: self.anodeThickness.setEnabled(0) class MyQComboBox(qt.QComboBox): sigMyQComboBoxSignal = qt.pyqtSignal(object) def __init__(self,parent = None,name = None,fl = 0, options=['1','2','3'],row=None,col=None): if row is None: row = 0 if col is None: col = 0 self.row = row self.col = col qt.QComboBox.__init__(self,parent) self.setOptions(options) self.setDuplicatesEnabled(False) self.setEditable(False) self.activated[str].connect(self._mySignal) def setOptions(self,options=['1','2','3']): self.clear() if qt.qVersion() < '4.0.0': self.insertStrList(options) else: for item in options: self.addItem(item) def getCurrent(self): return self.currentIndex(),str(self.currentText()) def _mySignal(self, qstring0): if DEBUG: print("_mySignal ", qstring0) text = str(qstring0) d = {} d['event'] = 'activated' d['element'] = text #d['z'] = Elemens.ElementList.index(d) + 1 self.sigMyQComboBoxSignal.emit(d) if __name__ == "__main__": app = qt.QApplication([]) w = QXTube() w.show() app.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/physics/xas/0000755000276300001750000000000013205526235017757 5ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/PyMcaGui/physics/xas/XASNormalizationWindow.py0000644000276300001750000005460513136054446024740 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import numpy import traceback import copy from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaGui import PyMca_Icons IconDict = PyMca_Icons.IconDict from PyMca5.PyMcaGraph.backends.MatplotlibBackend \ import MatplotlibBackend as backend from PyMca5.PyMcaGui import PlotWindow from PyMca5.PyMcaPhysics import XASNormalization POLYNOM_OPTIONS = ['Modif. Victoreen', 'Victoreen', 'Constant', 'Linear', 'Parabolic', 'Cubic'] class PolynomSelector(qt.QComboBox): def __init__(self, parent=None, options=None): qt.QComboBox.__init__(self, parent) self.setEditable(0) if options is not None: self.setOptions(options) else: self.setOptions(POLYNOM_OPTIONS) def setOptions(self, options): for item in options: self.addItem(item) def getOptions(self): return POLYNOM_OPTIONS * 1 class XASNormalizationParametersWidget(qt.QWidget): sigXASNormalizationParametersSignal = qt.pyqtSignal(object) def __init__(self, parent = None): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) self.__parametersDict = self._getDefaultParameters() self.__defaultEdgeEnergy = None self._polynomOptions = POLYNOM_OPTIONS i = 0 edgeGroupBox = qt.QGroupBox(self) edgeGroupBoxLayout = qt.QGridLayout(edgeGroupBox) edgeGroupBox.setAlignment(qt.Qt.AlignHCenter) edgeGroupBox.setTitle('Edge Position') autoButton = qt.QRadioButton(edgeGroupBox) autoButton.setText('Auto') autoButton.setChecked(True) userButton = qt.QRadioButton(edgeGroupBox) userButton.setText('User') buttonGroup = qt.QButtonGroup(edgeGroupBox) buttonGroup.addButton(autoButton, 0) buttonGroup.addButton(userButton, 1) buttonGroup.setExclusive(True) userEnergy = qt.QLineEdit(edgeGroupBox) userEnergy.setEnabled(False) validator = qt.QDoubleValidator(userEnergy) userEnergy.setValidator(validator) edgeGroupBoxLayout.addWidget(autoButton, 0, 0) edgeGroupBoxLayout.addWidget(userButton, 1, 0) edgeGroupBoxLayout.addWidget(userEnergy, 1, 1) self.mainLayout.addWidget(edgeGroupBox, 0, 0, 2, 2) #create handles to the relevant widgets self.autoEdgeButton = autoButton self.userEdgeButton = userButton self.userEdgeEnergy = userEnergy # connect the signals buttonGroup.buttonClicked[int].connect(self._buttonClicked) self.userEdgeEnergy.editingFinished.connect(self._userEdgeEnergyEditingFinished) regionsGroupBox = qt.QGroupBox(self) regionsGroupBoxLayout = qt.QGridLayout(regionsGroupBox) regionsGroupBox.setAlignment(qt.Qt.AlignHCenter) regionsGroupBox.setTitle('Regions') i = 1 for text in ["Pre-edge Polynom:", "Post-edge Polynom:"]: label = qt.QLabel(regionsGroupBox) label.setText(text) regionsGroupBoxLayout.addWidget(label, i, 0) #self.mainLayout.addWidget(qt.HorizontalSpacer(self), i, 1) i +=1 i = 1 self.widgetDict = {} for key in ['pre_edge', 'post_edge']: self.widgetDict[key] = {} c = 1 w = PolynomSelector(regionsGroupBox, options=self._polynomOptions) w.activated[int].connect(self._regionParameterChanged) regionsGroupBoxLayout.addWidget(w, i, c) c += 1 self.widgetDict[key]['polynomial'] = w for text in ['delta xmin', 'delta xmax']: label = qt.QLabel(regionsGroupBox) label.setText(text) self.widgetDict[key][text] = qt.QLineEdit(regionsGroupBox) self.widgetDict[key][text].editingFinished.connect( \ self._regionParameterChanged) validator = qt.QDoubleValidator(self.widgetDict[key][text]) self.widgetDict[key][text].setValidator(validator) regionsGroupBoxLayout.addWidget(label, i, c) regionsGroupBoxLayout.addWidget(self.widgetDict[key][text], i, c + 1) c += 2 i += 1 self.mainLayout.addWidget(regionsGroupBox, 0, 2) self._updateParameters() def _getDefaultParameters(self): ddict = {} ddict['auto_edge'] = 1 #give a dummy value ddict['edge_energy'] = 0.0 ddict['pre_edge'] = {} ddict['pre_edge']['regions'] = [[-100., -40.]] ddict['pre_edge']['polynomial'] = 'Constant' ddict['post_edge'] = {} ddict['post_edge']['regions'] = [[20., 300.]] ddict['post_edge']['polynomial'] = 'Linear' return ddict def _buttonClicked(self, intValue): event = None ddict={} if intValue == 0: event = "AutoEdgeEnergyClicked" ddict['auto_edge'] = 1 else: ddict['auto_edge'] = 0 self.setParameters(ddict, signal=True, event=event) def _userEdgeEnergyEditingFinished(self): ddict={} ddict['edge_energy'] = float(self.userEdgeEnergy.text()) self.setParameters(ddict, signal=True) def _regionParameterChanged(self, dummy=None, signal=True): ddict = {} for key in ['pre_edge', 'post_edge']: ddict[key] = {} ddict[key]['polynomial'] = self.widgetDict[key]['polynomial'].currentIndex() - 2 delta_xmin = float(self.widgetDict[key]['delta xmin'].text()) delta_xmax = float(self.widgetDict[key]['delta xmax'].text()) if delta_xmin > delta_xmax: ddict[key]['regions'] = [[delta_xmax, delta_xmin]] self.widgetDict[key]['delta xmin'].setText("%f" % delta_xmax) self.widgetDict[key]['delta xmax'].setText("%f" % delta_xmin) else: ddict[key]['regions'] = [[delta_xmin, delta_xmax]] self.setParameters(ddict, signal=True) def setParameters(self, ddict, signal=False, event=None): for key in ddict: if key in ['pre_edge', 'post_edge']: self.__parametersDict[key].update(ddict[key]) elif key in self.__parametersDict: self.__parametersDict[key] = ddict[key] self._updateParameters(signal=signal, event=event) def _updateParameters(self, signal=True, event=None): for key in ['pre_edge', 'post_edge']: idx = self.__parametersDict[key]['polynomial'] if type(idx) == type(1): # polynomial order self.widgetDict[key]['polynomial'].setCurrentIndex(idx + 2) else: # string self.widgetDict[key]['polynomial'].setCurrentIndex(\ self._polynomOptions.index(idx)) i = 0 for text in ['delta xmin', 'delta xmax']: # only the first region of each shown self.widgetDict[key][text].setText("%f" %\ self.__parametersDict[key]['regions'][0][i]) i += 1 self.userEdgeEnergy.setText("%f" % self.__parametersDict['edge_energy']) if self.__parametersDict['auto_edge']: self.autoEdgeButton.setChecked(True) self.userEdgeButton.setChecked(False) self.userEdgeEnergy.setEnabled(False) else: self.autoEdgeButton.setChecked(False) self.userEdgeButton.setChecked(True) self.userEdgeEnergy.setEnabled(True) if signal: ddict = self.getParameters() if event is None: ddict['event']='XASNormalizationParametersChanged' else: ddict['event'] = event self.sigXASNormalizationParametersSignal.emit(ddict) def getParameters(self): # make sure a copy is given back return copy.deepcopy(self.__parametersDict) def setEdgeEnergy(self, energy, emin=None, emax=None): self.userEdgeEnergy.setText("%f" % energy) signal = True if self.__parametersDict['edge_energy'] == energy: signal = False ddict ={'edge_energy':energy} if emin is not None: for region in self.__parametersDict['pre_edge']['regions']: if (region[0] + energy) < emin: signal = True ddict['pre_edge'] = {} xmin = emin - energy xmax = 0.5 * xmin ddict['pre_edge']['regions'] = [[xmin, xmax]] break if emax is not None: for region in self.__parametersDict['post_edge']['regions']: if (region[1] + energy) > emax: signal=True ddict['post_edge'] = {} xmax = emax - energy xmin = 0.1 * xmax ddict['post_edge']['regions'] = [[xmin, xmax]] break self.setParameters(ddict, signal=signal) class XASNormalizationWindow(qt.QWidget): def __init__(self, parent, spectrum, energy=None): qt.QWidget.__init__(self, parent) self.setWindowTitle("XAS Normalization Configuration Window") self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) if energy is None: self.energy = range(len(spectrum)) else: self.energy = energy self.spectrum = spectrum self.parametersWidget = XASNormalizationParametersWidget(self) self.graph = PlotWindow.PlotWindow(self, backend=backend, plugins=False, newplot=False) self.__lastDict = {} self.graph.sigPlotSignal.connect(self._handleGraphSignal) self.graph.addCurve(self.energy, spectrum, legend="Spectrum", replace=True) self.mainLayout.addWidget(self.parametersWidget) self.mainLayout.addWidget(self.graph) # initialize variables edgeEnergy, sortedX, sortedY, xPrime, yPrime =\ XASNormalization.estimateXANESEdge(spectrum, energy=self.energy, full=True) self._xPrime = xPrime self._yPrime = yPrime self.parametersWidget.setEdgeEnergy(edgeEnergy, emin=self.energy.min(), emax=self.energy.max()) self.getParameters = self.parametersWidget.getParameters self.setParameters = self.parametersWidget.setParameters self.parametersWidget.sigXASNormalizationParametersSignal.connect( \ self.updateGraph) self.updateGraph(self.getParameters()) def setData(self, spectrum, energy=None): self.spectrum = spectrum if energy is None: self.energy = range(len(spectrum)) else: self.energy = energy self.graph.clearMarkers() self.graph.addCurve(self.energy, self.spectrum, legend="Spectrum", replot=True, replace=True) edgeEnergy = XASNormalization.estimateXANESEdge(self.spectrum, energy=self.energy, full=False) self.parametersWidget.setEdgeEnergy(edgeEnergy, emin=self.energy.min(), emax=self.energy.max()) self.updateGraph(self.getParameters()) def updateGraph(self, ddict): self.__lastDict = ddict edgeEnergy = ddict['edge_energy'] preRegions = ddict['pre_edge']['regions'] postRegions = ddict['post_edge']['regions'] event = ddict.get('event', None) if event == "AutoEdgeEnergyClicked": try: # recalculate edge energy following region limits xmin = edgeEnergy + preRegions[0][0] xmax = edgeEnergy + postRegions[0][1] idx = numpy.nonzero((self.energy >= xmin) &\ (self.energy <= xmax))[0] x = numpy.take(self.energy, idx) y = numpy.take(self.spectrum, idx) edgeEnergy = XASNormalization.estimateXANESEdge(y, energy=x, full=False) self.parametersWidget.setEdgeEnergy(edgeEnergy, emin=self.energy.min(), emax=self.energy.max()) self.__lastDict['edge_energy'] = edgeEnergy except: pass parameters = {} parameters['pre_edge_order'] = ddict['pre_edge']['polynomial'] parameters['post_edge_order'] = ddict['post_edge']['polynomial'] algorithm = 'polynomial' self.updateMarkers(edgeEnergy, preRegions, postRegions, edge_auto=ddict['auto_edge']) try: normalizationResult = XASNormalization.XASNormalization(self.spectrum, self.energy, edge=edgeEnergy, pre_edge_regions=preRegions, post_edge_regions=postRegions, algorithm=algorithm, algorithm_parameters=parameters) except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setWindowTitle("Normalization Error") msg.setText("An error has occured while normalizing the data") msg.setInformativeText(str(sys.exc_info()[1])) msg.setDetailedText(traceback.format_exc()) msg.exec_() return nEnergy, nSpectrum, usedEdge, jump = normalizationResult[0:4] preEdgeFunction, preEdgeParameters = normalizationResult[4:6] postEdgeFunction, postEdgeParameters = normalizationResult[6:8] idx = self.energy > (usedEdge + preRegions[0][0]) x = self.energy[idx] yPre = preEdgeFunction(preEdgeParameters, x) yPost = postEdgeFunction(postEdgeParameters, x) self.graph.addCurve(x, yPre, legend="Pre-edge Polynomial", replace=False) self.graph.addCurve(x, yPost+yPre, legend="Post-edge Polynomial", replace=False, replot=True) def updateMarkers(self, edgeEnergy, preEdgeRegions, postEdgeRegions, edge_auto=True): if edge_auto: draggable = False else: draggable = True #self.graph.clearMarkers() self.graph.insertXMarker(edgeEnergy, 'EDGE', text='EDGE', color='pink', draggable=draggable, replot=False) for i in range(2): x = preEdgeRegions[0][i] + edgeEnergy if i == 0: label = 'MIN' else: label = 'MAX' self.graph.insertXMarker(x, 'Pre-'+ label, text=label, color='blue', draggable=True, replot=False) for i in range(2): x = postEdgeRegions[0][i] + edgeEnergy if i == 0: label = 'MIN' replot=False else: label = 'MAX' replot=True self.graph.insertXMarker(x, 'Post-'+ label, text=label, color='blue', draggable=True, replot=replot) def _handleGraphSignal(self, ddict): #print("ddict = ", ddict) if ddict['event'] != 'markerMoved': return marker = ddict['label'] edgeEnergy = self.__lastDict['edge_energy'] x = ddict['x'] if marker == "EDGE": self.parametersWidget.setEdgeEnergy(x, emin=self.energy.min(), emax=self.energy.max()) return ddict ={} if marker == "Pre-MIN": ddict['pre_edge'] ={} xmin = x - edgeEnergy xmax = self.__lastDict['pre_edge']['regions'][0][1] if xmin > xmax: ddict['pre_edge']['regions'] = [[xmax, xmin]] else: ddict['pre_edge']['regions'] = [[xmin, xmax]] elif marker == "Pre-MAX": ddict['pre_edge'] ={} xmin = self.__lastDict['pre_edge']['regions'][0][0] xmax = x - edgeEnergy if xmin > xmax: ddict['pre_edge']['regions'] = [[xmax, xmin]] else: ddict['pre_edge']['regions'] = [[xmin, xmax]] elif marker == "Post-MIN": ddict['post_edge'] ={} xmin = x - edgeEnergy xmax = self.__lastDict['post_edge']['regions'][0][1] if xmin > xmax: ddict['post_edge']['regions'] = [[xmax, xmin]] else: ddict['post_edge']['regions'] = [[xmin, xmax]] elif marker == "Post-MAX": ddict['post_edge'] ={} xmin = self.__lastDict['post_edge']['regions'][0][0] xmax = x - edgeEnergy if xmin > xmax: ddict['post_edge']['regions'] = [[xmax, xmin]] else: ddict['post_edge']['regions'] = [[xmin, xmax]] else: print("Unhandled markerMoved Signal") return self.setParameters(ddict, signal=True) class XASNormalizationDialog(qt.QDialog): def __init__(self, parent, data, energy=None): qt.QDialog.__init__(self, parent) self.setWindowTitle("XAS Normalization Dialog") self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(10, 10, 10, 10) self.mainLayout.setSpacing(2) self.__image = False if len(data.shape) == 2: spectrum = data.ravel() else: spectrum = data self.parametersWidget =XASNormalizationWindow(self, spectrum, energy=energy) self.graph = self.parametersWidget.graph self.setData = self.parametersWidget.setData self.mainLayout.addWidget(self.parametersWidget) hbox = qt.QWidget(self) hboxLayout = qt.QHBoxLayout(hbox) hboxLayout.setContentsMargins(0, 0, 0, 0) hboxLayout.setSpacing(0) self.okButton = qt.QPushButton(hbox) self.okButton.setText("OK") self.okButton.setAutoDefault(False) self.dismissButton = qt.QPushButton(hbox) self.dismissButton.setText("Cancel") self.dismissButton.setAutoDefault(False) hboxLayout.addWidget(self.okButton) hboxLayout.addWidget(qt.HorizontalSpacer(hbox)) hboxLayout.addWidget(self.dismissButton) self.mainLayout.addWidget(hbox) self.dismissButton.clicked.connect(self.reject) self.okButton.clicked.connect(self.accept) def getParameters(self): parametersDict = self.parametersWidget.getParameters() return parametersDict def setParameters(self, ddict): return self.parametersWidget.setParameters(ddict) def setSpectrum(self, energy, mu): self.parametersWidget.setData(mu, energy=energy) if __name__ == "__main__": app = qt.QApplication([]) if len(sys.argv) > 1: from PyMca5.PyMcaIO import specfilewrapper as specfile sf = specfile.Specfile(sys.argv[1]) scan = sf[0] data = scan.data() energy = data[0, :] spectrum = data[1, :] w = XASNormalizationDialog(None, spectrum, energy=energy) else: from PyMca5 import SpecfitFuns noise = numpy.random.randn(1500.) x = 8000. + numpy.arange(1500.) y = SpecfitFuns.upstep([100, 8500., 50], x) w = XASNormalizationDialog(None, y + numpy.sqrt(y)* noise, energy=x) ret=w.exec_() if ret: print(w.getParameters()) PyMca5-5.2.2/PyMca5/PyMcaGui/physics/xas/XASFourierTransformParameters.py0000644000276300001750000002727513136054446026260 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import os import sys from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaGui import PyMca_Icons IconDict = PyMca_Icons.IconDict DEBUG = 0 class XASFourierTransformParameters(qt.QGroupBox): sigFTParametersSignal = qt.pyqtSignal(object) def __init__(self, parent=None): super(XASFourierTransformParameters, self).__init__(parent) self.setTitle("Fourier Transform") self.__connected = True self.build() config = {} config["FT"] = {} ddict = config["FT"] ddict["Window"] = "Gaussian" ddict["WindowList"] = ["Gaussian", "Hanning", "Box", "Parzen", "Welch", "Hamming", "Tukey", "Papul", "Kaiser"] ddict["WindowApodization"] = 0.02 ddict["WindowRange"] = None ddict["KStep"] = 0.04 ddict["Points"] = 2048 ddict["Range"] = [0.0, 7.0] self.setParameters(config) def build(self): self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) # window selector windowLabel = qt.QLabel(self) windowLabel.setText("Window:") windowOptions = ["Gaussian", "Hanning", "Box", "Parzen", "Welch", "Hamming", "Tukey", "Papul", "Kaiser"] self.windowSelector = qt.QComboBox(self) for option in windowOptions: self.windowSelector.addItem(option) self.windowSelector.setCurrentIndex(0) # the apodization value apodizationLabel = qt.QLabel(self) apodizationLabel.setText("Apodization:") self.apodizationBox = qt.QDoubleSpinBox(self) self.apodizationBox.setMinimum(0.001) self.apodizationBox.setMaximum(4.) self.apodizationBox.setDecimals(3) self.apodizationBox.setSingleStep(0.01) self.apodizationBox.setValue(0.02) self.apodizationBox.setEnabled(False) # the window range # k Min kMinLabel = qt.QLabel(self) kMinLabel.setText("Window K Min:") self.kMinBox = qt.QDoubleSpinBox(self) self.kMinBox.setDecimals(2) self.kMinBox.setMinimum(0.0) self.kMinBox.setValue(2.0) self.kMinBox.setSingleStep(0.1) self.kMinBox.setEnabled(True) # k Max kMaxLabel = qt.QLabel(self) kMaxLabel.setText("Window K Max:") self.kMaxBox = qt.QDoubleSpinBox(self) self.kMaxBox.setDecimals(2) self.kMaxBox.setMaximum(25.0) self.kMaxBox.setValue(20.0) self.kMaxBox.setSingleStep(0.1) self.kMaxBox.setEnabled(True) # k Step kStepLabel = qt.QLabel(self) kStepLabel.setText("Window K Step:") self.kStepBox = qt.QDoubleSpinBox(self) self.kStepBox.setDecimals(2) self.kStepBox.setMinimum(0.01) self.kStepBox.setMaximum(0.5) self.kStepBox.setValue(0.02) self.kStepBox.setSingleStep(0.01) self.kStepBox.setEnabled(True) # the FT Range # R Max rMaxLabel = qt.QLabel(self) rMaxLabel.setText("FT Max. R:") self.rMaxBox = qt.QDoubleSpinBox(self) self.rMaxBox.setDecimals(2) self.rMaxBox.setMaximum(10.0) self.rMaxBox.setValue(6.0) self.rMaxBox.setSingleStep(0.5) self.rMaxBox.setEnabled(True) # the FT number of points pointsLabel = qt.QLabel(self) pointsLabel.setText("Points:") pointsOptions = ["512", "1024", "2048", "4096"] self.pointsSelector = qt.QComboBox(self) for option in pointsOptions: self.pointsSelector.addItem(option) self.pointsSelector.setCurrentIndex(2) # arrange everything self.mainLayout.addWidget(windowLabel, 0, 0) self.mainLayout.addWidget(self.windowSelector, 0, 1) self.mainLayout.addWidget(apodizationLabel, 1, 0) self.mainLayout.addWidget(self.apodizationBox, 1, 1) self.mainLayout.addWidget(kMinLabel, 2, 0) self.mainLayout.addWidget(self.kMinBox, 2, 1) self.mainLayout.addWidget(kMaxLabel, 3, 0) self.mainLayout.addWidget(self.kMaxBox, 3, 1) self.mainLayout.addWidget(kStepLabel, 4, 0) self.mainLayout.addWidget(self.kStepBox, 4, 1) self.mainLayout.addWidget(rMaxLabel, 5, 0) self.mainLayout.addWidget(self.rMaxBox, 5, 1) self.mainLayout.addWidget(pointsLabel, 6, 0) self.mainLayout.addWidget(self.pointsSelector, 6, 1) # connect #self.setupButton.clicked.connect(self._setupClicked) self.windowSelector.activated[int].connect(self._windowChanged) self.apodizationBox.valueChanged[float].connect(self._apodizationChanged) self.kMinBox.valueChanged[float].connect(self._kMinChanged) self.kMaxBox.valueChanged[float].connect(self._kMaxChanged) self.kStepBox.valueChanged[float].connect(self._kStepChanged) self.rMaxBox.valueChanged[float].connect(self._rMaxChanged) self.pointsSelector.activated[int].connect(self._pointsChanged) def _windowChanged(self, value): if DEBUG: print("_windowChanged ", value) current = str(self.windowSelector.currentText()) if current.lower() in ["gaussian", "gauss", "tukey", "papul"]: self.apodizationBox.setEnabled(False) if current.lower() in ["kaiser"]: self.apodizationBox.setEnabled(True) else: self.apodizationBox.setEnabled(True) if self.__connected: self.emitSignal("FTWindowChanged") def _apodizationChanged(self, value): if DEBUG: print("_apodizationChanged ", value) if self.__connected: self.emitSignal("FTApodizationChanged") def _kMinChanged(self, value): if DEBUG: print("Current kMin Value =", value) if self.__connected: self.emitSignal("FTKMinChanged") def _kMaxChanged(self, value): if DEBUG: print("Current kMax Value =", value) if self.__connected: if value > self.kMinBox.value(): self.emitSignal("FTKMaxChanged") else: # I should check if we have the focus prior to # raise any error. # This situation happens during manual editing pass def _kStepChanged(self, value): if DEBUG: print("Current kStep value = ", value) if self.__connected: self.emitSignal("FTKStepChanged") def _rMaxChanged(self, value): if DEBUG: print("Current rMax Value =", value) if self.__connected: self.emitSignal("FTRMaxChanged") def _pointsChanged(self, value): if DEBUG: print("_pointsChanged ", value) if self.__connected: self.emitSignal("FTPointsChanged") def getParameters(self): ddict = {} # window ddict["Window"] = str(self.windowSelector.currentText()) ddict["WindowList"] = [] for i in range(self.windowSelector.count()): ddict["WindowList"].append(str(self.windowSelector.itemText(i))) ddict["WindowApodization"] = self.apodizationBox.value() ddict["WindowRange"] = [self.kMinBox.value(), self.kMaxBox.value()] ddict["KStep"] = self.kStepBox.value() ddict["Points"] = int(str(self.pointsSelector.currentText())) ddict["Range"] = [0.0, self.rMaxBox.value()] return ddict def setParameters(self, ddict, signal=True): if DEBUG: print("setParameters called", ddict, signal) if "FT" in ddict: ddict = ddict["FT"] try: self.__connected = False if "Window" in ddict: option = ddict["Window"] if type(ddict["Window"]) == type(1): self.windowSelector.setCurrentIndex(option) else: selectorOptions = [] for i in range(self.windowSelector.count()): selectorOptions.append(str(self.windowSelector.itemText(i))) for i in range(len(selectorOptions)): if selectorOptions[i].lower().startswith(str(option).lower()): self.windowSelector.setCurrentIndex(i) break if ddict["WindowRange"] not in [None, "None", "none"]: self.kMinBox.setValue(ddict["WindowRange"][0]) self.kMaxBox.setValue(ddict["WindowRange"][-1]) self.kStepBox.setValue(ddict["KStep"]) self.rMaxBox.setValue(ddict["Range"][-1]) v = 0 for i in range(self.pointsSelector.count()): if int(str(self.pointsSelector.itemText(i))) < int(ddict["Points"]): v += 1 else: break self.pointsSelector.setCurrentIndex(v) finally: self.__connected = True if signal: self.emitSignal("FTWindowChanged") def emitSignal(self, event): ddict = self.getParameters() ddict["event"] = event self.sigFTParametersSignal.emit(ddict) def setKRange(self, kRange): if kRange[0] > kRange[1]: # do nothing (it happens on editing) return if self.kMinBox.minimum() > kRange[0]: self.kMinBox.setMinimum(kRange[0]) if self.kMaxBox.maximum() < kRange[1]: self.kMaxBox.setMaximum(kRange[1]) #kMin = self.kMinBox.value() #kMax = self.kMaxBox.value() #if kRange[1] > kMin: # self.kMaxBox.setMaximum(kRange[1]) #current = self.kMaxBox.value() #if current > (kRange[1]+0.01): # self.kMaxBox.setValue(value) def setTitleColor(self, color): #self.setStyleSheet("QGroupBox {font-weight: bold; color: red;}") self.setStyleSheet("QGroupBox {color: %s;}" % color) if __name__ == "__main__": DEBUG = 1 app = qt.QApplication([]) def mySlot(ddict): print("Signal received: ", ddict) w = XASFourierTransformParameters() w.show() w.sigFTParametersSignal.connect(mySlot) app.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/physics/xas/__init__.py0000644000276300001750000000000013136054446022061 0ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/PyMcaGui/physics/xas/XASNormalizationParameters.py0000644000276300001750000004026713136054446025573 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2016 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import os import sys from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaGui import PyMca_Icons from PyMca5.PyMcaGui import XASNormalizationWindow from PyMca5.PyMca import XASNormalization IconDict = PyMca_Icons.IconDict DEBUG = 0 class XASNormalizationParameters(qt.QGroupBox): sigNormalizationParametersSignal = qt.pyqtSignal(object) def __init__(self, parent=None, color=None): super(XASNormalizationParameters, self).__init__(parent) self.setTitle("Normalization") self._dialog = None self._energy = None self._mu = None self.__connected = True self.build() if color is not None: self.setTitleColor(color) def build(self): self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) # the normalization method normalizationLabel = qt.QLabel(self) normalizationLabel.setText("Method:") self.normalizationOptions = ["Constant", "Flattened"] self.normalizationSelector = qt.QComboBox(self) for option in self.normalizationOptions: self.normalizationSelector.addItem(option) self.normalizationSelector.setCurrentIndex(1) # the E0 value self.e0CheckBox = qt.QCheckBox(self) self.e0CheckBox.setText("Auto E0:") self.e0CheckBox.setChecked(True) self.e0SpinBox = qt.QDoubleSpinBox(self) self.e0SpinBox.setMinimum(200.) self.e0SpinBox.setMaximum(200000.) self.e0SpinBox.setDecimals(2) self.e0SpinBox.setSingleStep(0.2) self.e0SpinBox.setEnabled(False) # the jump jumpLabel = qt.QLabel(self) jumpLabel.setText("Jump:") self.jumpLine = qt.QLineEdit(self) self.jumpLine.setEnabled(False) # the pre-edge preEdgeLabel = qt.QLabel(self) preEdgeLabel.setText("Pre-Edge") self.preEdgeSelector = XASNormalizationWindow.PolynomSelector(self) self.preEdgeSelector.setCurrentIndex(3) # pre-edge regions preEdgeStartLabel = qt.QLabel(self) preEdgeStartLabel.setText("Begin:") self.preEdgeStartBox = qt.QDoubleSpinBox(self) self.preEdgeStartBox.setDecimals(2) self.preEdgeStartBox.setMinimum(-2000.0) self.preEdgeStartBox.setMaximum(-5.0) self.preEdgeStartBox.setValue(-100) self.preEdgeStartBox.setSingleStep(5.0) self.preEdgeStartBox.setEnabled(True) preEdgeEndLabel = qt.QLabel(self) preEdgeEndLabel.setText("End:") self.preEdgeEndBox = qt.QDoubleSpinBox(self) self.preEdgeEndBox.setDecimals(2) self.preEdgeEndBox.setMinimum(-200.0) self.preEdgeEndBox.setMaximum(-1.0) self.preEdgeEndBox.setValue(-40) self.preEdgeEndBox.setSingleStep(5.0) self.preEdgeEndBox.setEnabled(True) # the post-edge postEdgeLabel = qt.QLabel(self) postEdgeLabel.setText("Post-Edge") self.postEdgeSelector = XASNormalizationWindow.PolynomSelector(self) self.postEdgeSelector.setCurrentIndex(3) # post-edge regions postEdgeStartLabel = qt.QLabel(self) postEdgeStartLabel.setText("Begin:") self.postEdgeStartBox = qt.QDoubleSpinBox(self) self.postEdgeStartBox.setDecimals(2) self.postEdgeStartBox.setMinimum(1.0) self.postEdgeStartBox.setMaximum(3000.0) self.postEdgeStartBox.setValue(10) self.postEdgeStartBox.setSingleStep(5.0) self.postEdgeStartBox.setEnabled(True) postEdgeEndLabel = qt.QLabel(self) postEdgeEndLabel.setText("End:") self.postEdgeEndBox = qt.QDoubleSpinBox(self) self.postEdgeEndBox.setDecimals(2) self.postEdgeEndBox.setMinimum(10.0) self.postEdgeEndBox.setMaximum(2000.0) self.postEdgeEndBox.setValue(300) self.postEdgeEndBox.setSingleStep(5.0) self.postEdgeEndBox.setEnabled(True) # arrange everything self.mainLayout.addWidget(normalizationLabel, 0, 0) self.mainLayout.addWidget(self.normalizationSelector, 0, 1) self.mainLayout.addWidget(self.e0CheckBox, 1, 0) self.mainLayout.addWidget(self.e0SpinBox, 1, 1) self.mainLayout.addWidget(jumpLabel, 2, 0) self.mainLayout.addWidget(self.jumpLine, 2, 1) self.mainLayout.addWidget(preEdgeLabel, 3, 0) self.mainLayout.addWidget(self.preEdgeSelector, 3, 1) self.mainLayout.addWidget(preEdgeStartLabel, 4, 0) self.mainLayout.addWidget(self.preEdgeStartBox, 4, 1) self.mainLayout.addWidget(preEdgeEndLabel, 5, 0) self.mainLayout.addWidget(self.preEdgeEndBox, 5, 1) self.mainLayout.addWidget(postEdgeLabel, 6, 0) self.mainLayout.addWidget(self.postEdgeSelector, 6, 1) self.mainLayout.addWidget(postEdgeStartLabel, 7, 0) self.mainLayout.addWidget(self.postEdgeStartBox, 7, 1) self.mainLayout.addWidget(postEdgeEndLabel, 8, 0) self.mainLayout.addWidget(self.postEdgeEndBox, 8, 1) # connect self.normalizationSelector.activated[int].connect(self._normalizationChanged) self.e0CheckBox.toggled.connect(self._e0Toggled) self.e0SpinBox.valueChanged[float].connect(self._e0Changed) self.preEdgeSelector.activated[int].connect(self._preEdgeChanged) self.preEdgeStartBox.valueChanged[float].connect(self._preEdgeStartChanged) self.preEdgeEndBox.valueChanged[float].connect(self._preEdgeEndChanged) self.postEdgeSelector.activated[int].connect(self._postEdgeChanged) self.postEdgeStartBox.valueChanged[float].connect(self._postEdgeStartChanged) self.postEdgeEndBox.valueChanged[float].connect(self._postEdgeEndChanged) def _normalizationChanged(self, value): if DEBUG: print("_normalizationChanged ", value) if self.__connected: self._emitSignal("JumpNormalizationChanged") def setSpectrum(self, energy, mu): # try to detect keV if abs(energy[-1]-energy[0]) < 10: self._energy = energy * 1000. else: self._energy = energy * 1.0 self._mu = mu try: self.__connected = False self._update() finally: self.__connected = True self._emitSignal("SpectrumChanged") def _calculateE0(self): return XASNormalization.getE0SavitzkyGolay(self._energy, self._mu, points=5, full=False) def _e0Toggled(self, state): if state: self.e0SpinBox.setEnabled(False) if self._mu is not None: e0 = self._calculateE0() self.e0SpinBox.setValue(e0) else: self.e0SpinBox.setEnabled(True) def _e0Changed(self, value): if DEBUG: print("E0 CHANGED", value) if self.__connected: try: self.__connected = False self._update() finally: self.__connected = True self._emitSignal("E0Changed") def _preEdgeChanged(self, value): if DEBUG: print("Current pre-edge value = ", value) if self.__connected: self._emitSignal("PreEdgeChanged") def _preEdgeStartChanged(self, value): if DEBUG: print("pre start changed", value) if self.__connected: try: self.__connected = False self._update() finally: self.__connected = True self._emitSignal("PreEdgeChanged") def _preEdgeEndChanged(self, value): if DEBUG: print("pre end changed", value) if self.__connected: try: self.__connected = False self._update() finally: self.__connected = True self._emitSignal("PreEdgeChanged") def _postEdgeChanged(self, value): if DEBUG: print("post-edge changed", value) if self.__connected: self._emitSignal("PostEdgeChanged") def _postEdgeStartChanged(self, value): if DEBUG: print("post-edge start changed", value) if self.__connected: try: self.__connected = False self._update() finally: self.__connected = True self._emitSignal("PostEdgeChanged") def _postEdgeEndChanged(self, value): if DEBUG: print("post-edge changed", value) if self.__connected: try: self.__connected = False self._update() finally: self.__connected = True self._emitSignal("PostEdgeChanged") def _update(self): if self._energy is None: return eMin = self._energy.min() eMax = self._energy.max() current = self.getParameters() if current["E0Method"].lower().startswith("auto") or \ current["E0Value"] < self._energy.min() or \ current["E0Value"] > self._energy.max(): energy = self._calculateE0() current["E0Value"] = energy # energy e0 = current["E0Value"] self.e0SpinBox.setValue(e0) # pre-edge start = e0 + current["PreEdge"]["Regions"][0] end = e0 + current["PreEdge"]["Regions"][-1] if start > end: start, end = end, start start = max(start, eMin) if end <= start: end = 0.5 * (start + energy) self.preEdgeStartBox.setValue(start - e0) self.preEdgeEndBox.setValue(end - e0) # post-edge start = e0 + current["PostEdge"]["Regions"][0] end = e0 + current["PostEdge"]["Regions"][-1] if start > end: start, end = end, start end = min(end, eMax) if end <= start: start = 0.5 * (end + energy) self.postEdgeStartBox.setValue(start - e0) self.postEdgeEndBox.setValue(end - e0) def getParameters(self): ddict = {} # normalization method ddict["JumpNormalizationMethod"] = str(self.normalizationSelector.currentText()) # default values not yet handled by the interface ddict["E0MinValue"] = None ddict["E0MaxValue"] = None if self.e0CheckBox.isChecked(): ddict["E0Method"] = "Auto - 5pt SG" else: ddict["E0Method"] = "Manual" ddict["E0Value"] = self.e0SpinBox.value() # pre-edge ddict["PreEdge"] = {} ddict["PreEdge"] ["Method"] = "Polynomial" ddict["PreEdge"] ["Polynomial"] = str(self.preEdgeSelector.currentText()) # Regions is a single list with 2 * n values delimiting n regions. ddict["PreEdge"] ["Regions"] = [self.preEdgeStartBox.value(), self.preEdgeEndBox.value()] ddict["PostEdge"] = {} ddict["PostEdge"] ["Method"] = "Polynomial" ddict["PostEdge"] ["Polynomial"] = str(self.postEdgeSelector.currentText()) ddict["PostEdge"] ["Regions"] = [self.postEdgeStartBox.value(), self.postEdgeEndBox.value()] return ddict def setParameters(self, ddict, signal=True): if DEBUG: print("setParameters called", ddict, signal) if "Normalization" in ddict: ddict = ddict["Normalization"] try: self.__connected = False if "JumpNormalizationMethod" in ddict: option = ddict["JumpNormalizationMethod"] if type(ddict["JumpNormalizationMethod"]) == type(1): self.normalizationSelector.setCurrentIndex(option) else: selectorOptions = [] for i in range(self.normalizationSelector.count()): selectorOptions.append(str(self.normalizationSelector.itemText(i))) for i in range(len(selectorOptions)): if selectorOptions[i].lower().startswith(str(option).lower()): self.normalizationSelector.setCurrentIndex(i) break if ddict["E0Value"] is None: self.e0CheckBox.setChecked(True) else: self.e0SpinBox.setValue(ddict["E0Value"]) if ddict["E0Method"].lower().startswith("manual"): self.e0CheckBox.setChecked(False) else: self.e0CheckBox.setChecked(True) selectorOptions = self.preEdgeSelector.getOptions() i = 0 for option in selectorOptions: if str(option) == str(ddict["PreEdge"] ["Polynomial"]): self.preEdgeSelector.setCurrentIndex(i) break i += 1 selectorOptions = self.postEdgeSelector.getOptions() i = 0 for option in selectorOptions: if str(option) == str(ddict["PostEdge"] ["Polynomial"]): self.postEdgeSelector.setCurrentIndex(i) break i += 1 self.preEdgeStartBox.setValue(ddict["PreEdge"]["Regions"][0]) self.preEdgeEndBox.setValue(ddict["PreEdge"]["Regions"][-1]) self.postEdgeStartBox.setValue(ddict["PostEdge"]["Regions"][0]) self.postEdgeEndBox.setValue(ddict["PostEdge"]["Regions"][-1]) self._update() finally: self.__connected = True if signal: # E0Changed or SpectrumUpdated self._emitSignal("E0Changed") def _emitSignal(self, event): ddict = self.getParameters() ddict["event"] = event self.jumpLine.setText("") self.sigNormalizationParametersSignal.emit(ddict) def setJump(self, value): self.jumpLine.setText("%f" % value) def setTitleColor(self, color): #self.setStyleSheet("QGroupBox {font-weight: bold; color: red;}") self.setStyleSheet("QGroupBox {color: %s;}" % color) if __name__ == "__main__": DEBUG = 1 app = qt.QApplication([]) def mySlot(ddict): print("Signal received: ", ddict) w = XASNormalizationParameters() w.show() w.sigNormalizationParametersSignal.connect(mySlot) from PyMca5.PyMcaIO import specfilewrapper as specfile from PyMca5.PyMcaDataDir import PYMCA_DATA_DIR if len(sys.argv) > 1: fileName = sys.argv[1] else: fileName = os.path.join(PYMCA_DATA_DIR, "EXAFS_Cu.dat") data = specfile.Specfile(fileName)[0].data()[-2:, :] energy = data[0, :] mu = data[1, :] w.setSpectrum(energy, mu) w.setTitleColor("blue") app.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/physics/xas/XASSelfattenuationWindow.py0000644000276300001750000004030613136054446025250 0ustar solebliss00000000000000# -*- coding: utf-8 -*- #/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import copy import numpy from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaGui import PyMcaFileDialogs from PyMca5.PyMcaPhysics.xrf import Elements from PyMca5.PyMcaGui.physics.xrf import MatrixImage from PyMca5.PyMcaGui.physics.xrf import MaterialEditor from PyMca5.PyMcaIO import ConfigDict if hasattr(qt, "QString"): qstring = qt.QString else: qstring = str DEBUG = 0 class SampleConfiguration(qt.QWidget): def __init__(self, parent=None,orientation="vertical"): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QGridLayout(self) self.setContentsMargins(0, 0, 0, 0) # material materialLabel = qt.QLabel(self) materialLabel.setText("Enter material name or formula") self.materialWidget = qt.QComboBox(self) self.materialWidget.setEditable(True) i = 0 for key in Elements.Material.keys(): self.materialWidget.insertItem(i + 1, qstring(key)) i += 1 self.materialWidget.setEditText("Fe") self.editorButton = qt.QPushButton(self) self.editorButton.setText("Show/Hide Editor") self.editorButton.setAutoDefault(False) self.mainLayout.addWidget(materialLabel, 0, 0, 1, 3) self.mainLayout.addWidget(self.materialWidget, 0, 2) self.mainLayout.addWidget(self.editorButton, 0, 3) self.materialEditor = MaterialEditor.MaterialEditor(self) offset = 1 self.mainLayout.addWidget(self.materialEditor, offset, 0, 5, 4) offset += 5 #element elementLabel = qt.QLabel(self) elementLabel.setText("Element") elementWidget = qt.QComboBox(self) for i, symbol in enumerate(Elements.ElementList[2:]): elementWidget.insertItem(i + 1, qstring(symbol + "(%d)" % (i+3))) edgeLabel = qt.QLabel(self) edgeLabel.setText("Edge") edgeWidget = qt.QComboBox(self) self.edgeWidget = edgeWidget self.elementWidget = elementWidget energyLabel = qt.QLabel(self) energyLabel.setText("Energy (eV)") self.energyWidget = qt.QLineEdit(self) self.energyWidget._validator = qt.QDoubleValidator(self.energyWidget) self.energyWidget.setValidator(self.energyWidget._validator) if orientation.lower().startswith("v"): self.mainLayout.addWidget(elementLabel, 0, 0) self.mainLayout.addWidget(elementWidget, 0, 1) self.mainLayout.addWidget(edgeLabel, 1, 0) self.mainLayout.addWidget(edgeWidget, 1, 1) self.mainLayout.addWidget(energyLabel, 2, 0) self.mainLayout.addWidget(self.energyWidget, 2, 1) #self.mainLayout.addWidget(qt.HorizontalSpacer(self), 3, 2) else: self.mainLayout.addWidget(elementLabel, offset + 0, 0) self.mainLayout.addWidget(elementWidget, offset + 1, 0) self.mainLayout.addWidget(edgeLabel, offset + 0, 1) self.mainLayout.addWidget(edgeWidget, offset + 1, 1) self.mainLayout.addWidget(energyLabel, offset + 0, 2, 1, 2) self.mainLayout.addWidget(self.energyWidget, offset + 1, 2, 1, 2) #self.mainLayout.addWidget(qt.HorizontalSpacer(self), 0, 3) self.editorButton.clicked.connect(self.toggleEditor) self.toggleEditor() self._lastMaterial = "Fe" self.materialSignal("Fe") #self.elementWidget.setCurrentIndex(23) #self.elementSignal(23) #self.edgeWidget.setCurrentIndex(0) #self.edgeSignal(0) self.materialWidget.activated[qstring].connect(self.materialSignal) self.elementWidget.activated[qstring].connect(self.elementSignal) self.edgeWidget.activated["int"].connect(self.edgeSignal) self.energyWidget.editingFinished.connect(self.energySignal) def materialSignal(self, txt): txt = str(txt) if Elements.isValidFormula(txt): if DEBUG: print("validFormula") elementDict = Elements.getMaterialMassFractions([txt], [1.0]) elif Elements.isValidMaterial(txt): if DEBUG: print("ValidMaterial") elementDict = Elements.getMaterialMassFractions([txt], [1.0]) else: if DEBUG: print("to be defined") msg=qt.QMessageBox.information(self, "Invalid Material %s" % txt, "The material %s is not a valid Formula " \ "nor a valid Material.\n" \ "Please use the material editor to define materials" % txt) self.materialWidget.setEditText(self._lastMaterial) if self.materialEditor.isHidden(): self.materialEditor.show() return # We have to update the possible elements elements = list(elementDict.keys()) self.updateElementsWidget(elements) def updateElementsWidget(self, elementsList): z = [] iMaxZ = 0 for i, ele in enumerate(elementsList): tmpZ = Elements.ElementList.index(elementsList[i]) + 1 z.append(tmpZ) if tmpZ > z[iMaxZ]: iMaxZ = i currentElement = str(self.elementWidget.currentText()).split("(")[0] self.elementWidget.clear() for i, ele in enumerate(elementsList): if z[i] > 2: self.elementWidget.insertItem(i, qstring(ele + "(%d)" % (z[i]))) if currentElement in elementsList: #selection does not need to be changed if DEBUG: print("Element widget up to date") else: #selection needs to be changed if DEBUG: print("Setting the highest Z as default") self.elementSignal(qstring(elementsList[iMaxZ])) def toggleEditor(self): if self.materialEditor.isHidden(): self.materialEditor.show() else: self.materialEditor.hide() def elementSignal(self, txt): element = str(txt) if "(" in txt: element = element.split("(")[0] options = [] shellList = ["K", "L1", "L2", "L3", "M1", "M2", "M3", "M4", "M5", "N1"] for shell in shellList: if Elements.Element[element]["binding"][shell] > 0.0: options.append(shell) currentShell = str(self.edgeWidget.currentText()) self.edgeWidget.clear() i = 0 for shell in options[:-1]: self.edgeWidget.insertItem(i, qstring(shell)) i += 1 if currentShell in options: idx = options.index(currentShell) else: idx = 0 self.edgeWidget.setCurrentIndex(idx) self.edgeSignal(idx) def edgeSignal(self, idx): shellList = ["K", "L1", "L2", "L3", "M1", "M2", "M3", "M4", "M5"] shell = shellList[idx] element = str(self.elementWidget.currentText()).split("(")[0] energy = Elements.Element[element]["binding"][shell] * 1000. self.energyWidget.setText("%.2f" % energy) def energySignal(self): try: energy = float(self.energyWidget.text()) except: energy = 0.0 if energy <= 0.0: self.edgeSignal(self.edgeWidget.currentIndex()) def setParameters(self, ddict=None): if ddict is None: ddict = {} key = "material" if key in ddict: material = ddict['material'] if Elements.isValidMaterial(material): self.materialWidget.setEditText(material) self.materialSignal(material) else: raise ValueError("Invalid Material %s" % material) key = "element" if key in ddict: ele = ddict[key] for i in range(self.elementWidget.count()): if str(self.elementWidget.itemText(i)).split("(")[0] == ele: self.elementWidget.setCurrentIndex(i) self.elementSignal(ele) key = "edge" if key in ddict: shellList = ["K", "L1", "L2", "L3", "M1", "M2", "M3", "M4", "M5"] idx = shellList.index(ddict[key]) else: idx = 0 self.edgeWidget.setCurrentIndex(idx) self.edgeSignal(idx) key = "energy" if key in ddict: energy = ddict[key] self.energyWidget.setText("%.2f" % energy) def getParameters(self): ddict = {} ddict["material"] = str(self.materialWidget.currentText()) ddict["element"] = str(self.elementWidget.currentText()).split("(")[0] ddict["edge"] = str(self.edgeWidget.currentText()) ddict["energy"] = float(self.energyWidget.text()) return ddict class GeometryConfiguration(qt.QWidget): def __init__(self, parent=None): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QGridLayout(self) self.setContentsMargins(0, 0, 0, 0) self.imageLabel = qt.QLabel(self) self.imageLabel.setPixmap(qt.QPixmap(MatrixImage.image_medium)) self.angleWidgets = [] self.mainLayout.addWidget(self.imageLabel, 0, 0, 2, 2) i = 0 for item in ["Alpha In", "Alpha Out"]: label = qt.QLabel(self) label.setText(item +"(deg) :") lineEdit = qt.QLineEdit(self) validator = qt.QDoubleValidator(lineEdit) lineEdit.setValidator(validator) lineEdit._v = validator lineEdit.setText("45.0") self.angleWidgets.append(lineEdit) self.mainLayout.addWidget(label, i, 3) self.mainLayout.addWidget(lineEdit, i, 4) i += 1 def getParameters(self): ddict = {} ddict['angles'] = [float(self.angleWidgets[0].text()), float(self.angleWidgets[1].text())] return ddict def setParameters(self, ddict): if 'angles' in ddict: self.angleWidgets[0].setText("%.2f" % ddict['angles'][0]) self.angleWidgets[1].setText("%.2f" % ddict['angles'][1]) class XASSelfattenuationWidget(qt.QWidget): def __init__(self, parent=None): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QVBoxLayout(self) self.setContentsMargins(0, 0, 0, 0) self.element = SampleConfiguration(self, orientation="horizontal") self.geometry = GeometryConfiguration(self) self.mainLayout.addWidget(self.element) self.mainLayout.addWidget(self.geometry) self.mainLayout.addWidget(qt.VerticalSpacer(self)) def setParameters(self, ddict): if "XAS" in ddict: self.element.setParameters(ddict['XAS']) self.geometry.setParameters(ddict['XAS']) else: self.element.setParameters(ddict) self.geometry.setParameters(ddict) def getParameters(self): ddict = {} ddict['XAS'] = self.element.getParameters() ddict['XAS'].update(self.geometry.getParameters()) return ddict class XASSelfattenuationDialog(qt.QDialog): def __init__(self, parent=None): qt.QDialog.__init__(self, parent) self.setWindowTitle("XAS self-attenuation dialog") self.mainLayout = qt.QVBoxLayout(self) self.setContentsMargins(0, 0, 0, 0) self.configurationWidget = XASSelfattenuationWidget(self) self.actionsBox = qt.QWidget(self) self.actionsBox.mainLayout = qt.QHBoxLayout(self.actionsBox) self.actionsBox.setContentsMargins(0, 0, 0, 0) self.loadButton = qt.QPushButton(self.actionsBox) self.loadButton.setText("Load") self.loadButton.setAutoDefault(False) self.saveButton = qt.QPushButton(self.actionsBox) self.saveButton.setText("Save") self.saveButton.setAutoDefault(False) self.cancelButton = qt.QPushButton(self.actionsBox) self.cancelButton.setText("Cancel") self.cancelButton.setAutoDefault(False) self.okButton = qt.QPushButton(self.actionsBox) self.okButton.setText("OK") self.okButton.setAutoDefault(False) self.actionsBox.mainLayout.addWidget(self.loadButton) self.actionsBox.mainLayout.addWidget(self.saveButton) self.actionsBox.mainLayout.addWidget(self.cancelButton) self.actionsBox.mainLayout.addWidget(self.okButton) self.mainLayout.addWidget(self.configurationWidget) self.mainLayout.addWidget(self.actionsBox) self.mainLayout.addWidget(qt.VerticalSpacer(self)) self.loadButton.clicked.connect(self.loadSignal) self.saveButton.clicked.connect(self.saveSignal) self.cancelButton.clicked.connect(self.reject) self.okButton.clicked.connect(self.accept) def loadSignal(self): fileList = PyMcaFileDialogs.getFileList(self, filetypelist=['cfg file (*.cfg)'], mode="OPEN", single=True, getfilter=False) if len(fileList): self.loadConfiguration(fileList[0]) def saveSignal(self): fileList = PyMcaFileDialogs.getFileList(self, filetypelist=['cfg file (*.cfg)'], mode="SAVE", single=True, getfilter=False) if len(fileList): self.saveConfiguration(fileList[0]) def reject(self): return qt.QDialog.reject(self) def accept(self): return qt.QDialog.accept(self) def getConfiguration(self): return self.configurationWidget.getParameters() def setConfiguration(self, ddict): self.configurationWidget.setParameters(ddict) def loadConfiguration(self, filename): d = ConfigDict.ConfigDict() d.read(filename) self.setConfiguration(d['XAS']) def saveConfiguration(self, filename): d = ConfigDict.ConfigDict() d['XAS'] = {} ddict = self.getConfiguration() if 'XAS' in ddict: d['XAS'].update(ddict['XAS']) else: d['XAS'].update(ddict) d.write(filename) if __name__ == "__main__": app = qt.QApplication([]) w = XASSelfattenuationDialog() w.setConfiguration({"material":"Goethite"}) ret = w.exec_() if ret: cfg = w.getConfiguration() print(cfg) cfg['material'] = "Fe" w.setConfiguration(cfg) ret = w.exec_() if ret: cfg = w.getConfiguration() print(cfg) PyMca5-5.2.2/PyMca5/PyMcaGui/physics/xas/XASPostEdgeParameters.py0000644000276300001750000003331413136054446024452 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaGui import PyMca_Icons IconDict = PyMca_Icons.IconDict DEBUG = 0 def myFloat(x): try: return float(x) except ValueError: if ',' in x: try: return float(x.replace(',','.')) except: return float(x) elif '.' in x: try: return float(x.replace('.',',')) except: return float(x) else: raise class XASPostEdgeParameters(qt.QGroupBox): sigPostEdgeParametersSignal = qt.pyqtSignal(object) def __init__(self, parent=None, color=None): super(XASPostEdgeParameters, self).__init__(parent) self.setTitle("EXAFS") self.build() if color is not None: self.setTitleColor(color) def build(self): self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) # k Min kMinLabel = qt.QLabel(self) kMinLabel.setText("K Min:") self.kMinBox = qt.QDoubleSpinBox(self) self.kMinBox.setDecimals(2) self.kMinBox.setMinimum(0.0) self.kMinBox.setValue(2.0) self.kMinBox.setSingleStep(0.1) self.kMinBox.setEnabled(True) # k Max kMaxLabel = qt.QLabel(self) kMaxLabel.setText("K Max:") self.kMaxBox = qt.QDoubleSpinBox(self) self.kMaxBox.setDecimals(2) self.kMaxBox.setMaximum(25.0) self.kMaxBox.setValue(20.0) self.kMaxBox.setSingleStep(0.1) self.kMaxBox.setEnabled(True) # k Weight kWeightLabel = qt.QLabel(self) kWeightLabel.setText("K Weight:") self.kWeightBox = qt.QSpinBox(self) self.kWeightBox.setMinimum(0) self.kWeightBox.setMaximum(3) self.kWeightBox.setValue(0) self.kWeightBox.setSingleStep(1) self.kWeightBox.setEnabled(True) # knots knotsLabel = qt.QLabel(self) knotsLabel.setText("Knots:") self.knotsBox = qt.QSpinBox(self) self.knotsBox.setMinimum(0) self.knotsBox.setMaximum(5) self.knotsBox.setValue(3) self.knotsBox.setEnabled(True) # table of knots positionLabel = qt.QLabel(self) positionLabel.setText("Region Start") degreeLabel = qt.QLabel(self) degreeLabel.setText("Degree") self._knotPositions = [] self._knotDegrees = [] for i in range(self.knotsBox.maximum()+1): position = qt.QDoubleSpinBox(self) position.setSingleStep(0.1) degree = qt.QSpinBox(self) degree.setMinimum(1) degree.setMaximum(3) degree.setValue(3) self._knotPositions.append(position) self._knotDegrees.append(degree) if i > self.knotsBox.value(): position.setEnabled(False) degree.setEnabled(False) if i == 0: position.setEnabled(False) # arrange everything self.mainLayout.addWidget(kMinLabel, 0, 0) self.mainLayout.addWidget(self.kMinBox, 0, 1) self.mainLayout.addWidget(kMaxLabel, 1, 0) self.mainLayout.addWidget(self.kMaxBox, 1, 1) self.mainLayout.addWidget(kWeightLabel, 2, 0) self.mainLayout.addWidget(self.kWeightBox, 2, 1) self.mainLayout.addWidget(knotsLabel, 3, 0) self.mainLayout.addWidget(self.knotsBox, 3, 1) self.mainLayout.addWidget(positionLabel, 4, 0) self.mainLayout.addWidget(degreeLabel, 4, 1) lastRow = 4 for i in range(self.knotsBox.maximum()+1): lastRow += 1 self.mainLayout.addWidget(self._knotPositions[i], lastRow, 0) self.mainLayout.addWidget(self._knotDegrees[i], lastRow, 1) # initialize values self._fillKnots() # connect self.kMinBox.valueChanged[float].connect(self._kMinChanged) self.kMaxBox.valueChanged[float].connect(self._kMaxChanged) self.kWeightBox.valueChanged[int].connect(self._kWeightChanged) self.knotsBox.valueChanged[int].connect(self._knotNumberChanged) for i in range(self.knotsBox.maximum() + 1): self._knotPositions[i].valueChanged[float].connect(self._knotChanged) self._knotDegrees[i].valueChanged[int].connect(self._degreeChanged) self.__connected = True def _knotNumberChanged(self, value): if DEBUG: print("Current number of knots = ", value) oldValue = self.__connected self.__connected = False try: for i in range(self.knotsBox.maximum()+1): if i < value+1: enabled = True else: enabled = False self._knotPositions[i].setEnabled(enabled) self._knotDegrees[i].setEnabled(enabled) self._knotPositions[0].setEnabled(False) self._fillKnots() finally: self.__connected = oldValue if self.__connected: self.emitSignal("KnotNumberChanged") def _kMinChanged(self, value): if DEBUG: print("Current kMin Value =", value) oldValue = self.__connected self.__connected = False try: self._fillKnots() finally: self.__connected = oldValue if self.__connected: self.emitSignal("KMinChanged") def _kMaxChanged(self, value): if DEBUG: print("Current kMax Value =", value) if value <= self.kMinBox.value(): # I should check if we have the focus prior to # raise any error. # This situation happens during manual editing return oldValue = self.__connected self.__connected = False try: self._fillKnots() finally: self.__connected = oldValue if self.__connected: self.emitSignal("KMaxChanged") def _kWeightChanged(self, value): if DEBUG: print("Current kWeight Value =", value) if self.__connected: self.emitSignal("KWeightChanged") def _knotChanged(self, value): if DEBUG: print("One knot has been changed = ", value) # adjust limits oldValue = self.__connected self.__connected = False try: kMax = self.kMaxBox.value() for i in range(self.knotsBox.maximum()+1): if self._knotPositions[i].isEnabled(): # the first one is never enabled singleStep = self._knotPositions[i].singleStep() minimum = self._knotPositions[i-1].value() + singleStep self._knotPositions[i].setMinimum(minimum) if i < self.knotsBox.maximum(): maximum = self._knotPositions[i+1].value() - singleStep else: maximum = kMax self._knotPositions[i].setMaximum(maximum) else: self._knotPositions[i].setMaximum(kMax) finally: self.__connected = oldValue if self.__connected: self.emitSignal("KnotPositionChanged") def _degreeChanged(self, value): if DEBUG: print("One knot polynomial degree changed", value) if self.__connected: self.emitSignal("KnotOrderChanged") def getParameters(self): ddict = {} ddict["KMin"] = self.kMinBox.value() ddict["KMax"] = self.kMaxBox.value() ddict["KWeight"] = self.kWeightBox.value() ddict["Knots"] = {} ddict["Knots"]["Number"] = self.knotsBox.value() ddict["Knots"]["Values"] = [] ddict["Knots"]["Orders"] = [] for i in range(ddict["Knots"]["Number"]+1): txt = str(self._knotPositions[i].text()) if i == 0: pass #ddict["Knots"]["Values"].append(ddict["KMin"]) else: ddict["Knots"]["Values"].append(myFloat(txt)) ddict["Knots"]["Orders"].append(self._knotDegrees[i].value()) return ddict def setParameters(self, ddict, signal=True): if DEBUG: print("setParameters called", ddict, signal) if "EXAFS" in ddict: ddict = ddict["EXAFS"] elif "PostEdge" in ddict: ddict = ddict["PostEdge"] try: self.__connected = False kMin = ddict.get("KMin", self.kMinBox.value()) if kMin is not None: self.kMinBox.setValue(kMin) kMax = ddict.get("KMax", self.kMaxBox.value()) if kMax is not None: self.kMaxBox.setValue(kMax) kWeight = ddict.get("KWeight", self.kWeightBox.value()) if kWeight is not None: self.kWeightBox.setValue(kWeight) nKnots = self.knotsBox.value() if "Knots" in ddict: self.knotsBox.setValue(ddict["Knots"].get("Number", nKnots)) nKnots = self.knotsBox.value() positions, orders = self._getDefaultKnots(knots=nKnots) n = len(positions) for i in range(self.knotsBox.maximum()+1): if i < n: enabled = True else: enabled = False self._knotPositions[i].setEnabled(enabled) self._knotDegrees[i].setEnabled(enabled) self._knotPositions[0].setEnabled(False) if "Knots" in ddict: newPositions = ddict["Knots"].get("Values", positions) if newPositions is not None: if hasattr(newPositions, "__len__"): positions = newPositions else: positions = [newPositions] orders = ddict["Knots"].get("Orders", orders) if len(positions) == (len(orders) - 1): positions = [self.kMinBox.value()] + list(positions) self._fillKnots(positions, orders) finally: self.__connected = True if signal: # any signal do the job self.emitSignal("KMaxChanged") def _fillKnots(self, positions=None, orders=None): if (positions is None) and (orders is None): positions, orders = self._getDefaultKnots() kMin = self.kMinBox.value() kMax = self.kMaxBox.value() for i in range(self.knotsBox.maximum() + 1): self._knotPositions[i].setMinimum(kMin) self._knotPositions[i].setMaximum(kMax) n = len(positions) for i in range(n): self._knotPositions[i].setValue(positions[i]) self._knotDegrees[i].setValue(orders[i]) for i in range(n, self.knotsBox.maximum()+1): self._knotPositions[i].setValue(kMax) def _getDefaultKnots(self, kMin=None, kMax=None, knots=None): if kMin is None: kMin = self.kMinBox.value() if kMax is None: kMax = self.kMaxBox.value() if knots is None: knots = self.knotsBox.value() positions = [kMin] degrees = [3] delta = (kMax - kMin) / (knots + 1.0) for i in range(knots): positions.append(kMin + (i + 1) * delta) # here I could do something as function of k degrees.append(3) return positions, degrees def emitSignal(self, event): ddict = self.getParameters() ddict["event"] = event self.sigPostEdgeParametersSignal.emit(ddict) def setMaximumK(self, value): self.kMaxBox.setMaximum(value) current = self.kMaxBox.value() if current > (value+0.01): self.kMaxBox.setValue(value) def setTitleColor(self, color): #self.setStyleSheet("QGroupBox {font-weight: bold; color: red;}") self.setStyleSheet("QGroupBox {color: %s;}" % color) if __name__ == "__main__": DEBUG = 1 app = qt.QApplication([]) def testSlot(ddict): print("Emitted signal = ", ddict) w = XASPostEdgeParameters() w.sigPostEdgeParametersSignal.connect(testSlot) w.show() app.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/physics/xas/XASParameters.py0000644000276300001750000002240713136054446023020 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaGui import PyMca_Icons IconDict = PyMca_Icons.IconDict from PyMca5.PyMcaGui import XASNormalizationParameters from PyMca5.PyMcaGui import XASPostEdgeParameters from PyMca5.PyMcaGui import XASFourierTransformParameters from PyMca5.PyMcaGui import PyMcaFileDialogs from PyMca5.PyMcaIO import ConfigDict DEBUG = 0 class XASParameters(qt.QWidget): sigXASParametersSignal = qt.pyqtSignal(object) def __init__(self, parent=None, color=None): super(XASParameters, self).__init__(parent) self.setWindowTitle("XAS Parameters") self.build() if color is not None: self.setTitleColor(color) def build(self): # perhaps the layout will change to a QGridLayout self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) self.normalizationWidget = \ XASNormalizationParameters.XASNormalizationParameters(self) self.postEdgeWidget = \ XASPostEdgeParameters.XASPostEdgeParameters(self) self.fourierTransformWidget = \ XASFourierTransformParameters.XASFourierTransformParameters(self) self.mainLayout.addWidget(self.normalizationWidget) self.mainLayout.addWidget(self.postEdgeWidget) self.mainLayout.addWidget(self.fourierTransformWidget) self.mainLayout.addWidget(qt.VerticalSpacer(self)) container = qt.QWidget(self) container.mainLayout = qt.QHBoxLayout(container) container.mainLayout.setContentsMargins(0, 0, 0, 0) container.mainLayout.setSpacing(2) self.loadButton = qt.QPushButton(container) self.loadButton.setText("Load") self.loadButton.setAutoDefault(False) self.saveButton = qt.QPushButton(container) self.saveButton.setText("Save") self.saveButton.setAutoDefault(False) container.mainLayout.addWidget(self.loadButton) container.mainLayout.addWidget(self.saveButton) self.mainLayout.addWidget(container) # add function self.setJump = self.normalizationWidget.setJump self.setMaximumK = self.postEdgeWidget.setMaximumK # connect self.normalizationWidget.sigNormalizationParametersSignal.connect( \ self._normalizationSlot) self.postEdgeWidget.sigPostEdgeParametersSignal.connect( \ self._postEdgeParameterSlot) self.fourierTransformWidget.sigFTParametersSignal.connect( \ self._fourierTransformParameterSlot) self.loadButton.clicked.connect(self._loadClicked) self.saveButton.clicked.connect(self._saveClicked) def setMaximumK(self, value): self.postEdgeWidget.setMaximumK(value) self.fourierTransformWidget.setMaximumK(value) def emitSignal(self, event): ddict = self.getParameters() ddict["event"] = event self.sigPostEdgeParametersSignal.emit(ddict) def getParameters(self): ddict = {} ddict["Version"] = 1.0 ddict["Normalization"] = self.getNormalizationParameters() ddict["EXAFS"] = self.getPostEdgeParameters() ddict["FT"] = self.getFTParameters() return ddict def getNormalizationParameters(self): return self.normalizationWidget.getParameters() def getPostEdgeParameters(self): return self.postEdgeWidget.getParameters() def getFTParameters(self): return self.fourierTransformWidget.getParameters() def setParameters(self, ddict): if "Normalization" in ddict: self.setNormalizationParameters(ddict["Normalization"]) if "EXAFS" in ddict: self.setPostEdgeParameters(ddict["EXAFS"]) if "FT" in ddict: self.setFTParameters(ddict["FT"]) def setNormalizationParameters(self, ddict): self.normalizationWidget.setParameters(ddict) def setPostEdgeParameters(self, ddict): self.postEdgeWidget.setParameters(ddict) def setFTParameters(self, ddict): self.fourierTransformWidget.setParameters(ddict) #self._FTParameters = ddict def _normalizationSlot(self, ddict): # Should I change the event to "NormalizationChanged"? self._emitSignal(ddict["event"]) def _postEdgeParameterSlot(self, ddict): if DEBUG: print("_postEdgeParameterSlot ", ddict) # Should I change the event to "EXAFSChanged"? self.fourierTransformWidget.setKRange([ddict["KMin"], ddict["KMax"]]) self._emitSignal(ddict["event"]) def _fourierTransformParameterSlot(self, ddict): # Should I change the event to "FTChanged"? self._emitSignal(ddict["event"]) def _emitSignal(self, event): ddict = self.getParameters() ddict["event"] = event self.sigXASParametersSignal.emit(ddict) def setSpectrum(self, energy, mu): return self.normalizationWidget.setSpectrum(energy, mu) def setJump(self, value): return self.normalizationWidget.setJump(value) def _loadClicked(self): return self.loadParameters() def loadParameters(self, fname=None): if fname is None: fname = PyMcaFileDialogs.getFileList(self, filetypelist=["Configuration (*.ini)", "Configuration (*.cfg)", "All files (*)"], message="Please set input file name", mode="OPEN", getfilter=False, single=True) if len(fname): fname = fname[0] else: return d = ConfigDict.ConfigDict() d.read(fname) self.setParameters(d["XASParameters"]) def _saveClicked(self): return self.saveParameters() def saveParameters(self, fname=None): if fname is None: fname = PyMcaFileDialogs.getFileList(self, filetypelist=["Configuration (*.ini)", "Configuration (*.cfg)"], message="Please enter output file name", mode="SAVE", getfilter=False, single=True) if len(fname): fname = fname[0] else: return ddict = ConfigDict.ConfigDict() ddict["XASParameters"] = self.getParameters() ddict.write(fname) def setTitleColor(self, color): try: self.normalizationWidget.setTitleColor(color) self.postEdgeWidget.setTitleColor(color) self.fourierTransformWidget.setTitleColor(color) except: print("Error setting title color", sys.exc_info()) if __name__ == "__main__": DEBUG = 1 app = qt.QApplication([]) def testSlot(ddict): print("Emitted signal = ", ddict) w = XASParameters() w.sigXASParametersSignal.connect(testSlot) w.show() try: import os from PyMca5.PyMcaIO import specfilewrapper as specfile from PyMca5.PyMcaDataDir import PYMCA_DATA_DIR if len(sys.argv) > 1: fileName = sys.argv[1] else: fileName = os.path.join(PYMCA_DATA_DIR, "EXAFS_Cu.dat") data = specfile.Specfile(fileName)[0].data()[-2:, :] energy = data[0, :] mu = data[1, :] w.setSpectrum(energy, mu) except: print("ERROR: ", sys.exc_info()) app.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/physics/xas/XASWindow.py0000644000276300001750000003311513136054446022162 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2016 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import os import sys import numpy import traceback import copy from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaGui import PyMca_Icons IconDict = PyMca_Icons.IconDict from PyMca5.PyMcaGui import PlotWindow from PyMca5.PyMcaGui import XASParameters from PyMca5.PyMca import XASClass DEBUG = 0 class XASDialog(qt.QDialog): def __init__(self, parent=None, analyzer=None, backend=None): super(XASDialog, self).__init__(parent) self.setWindowTitle("XAS Window") self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) # the main window self.xasWindow = XASWindow(self, analyzer=analyzer, backend=backend) self.setSpectrum = self.xasWindow.setSpectrum self.setConfiguration = self.xasWindow.setConfiguration self.getConfiguration = self.xasWindow.getConfiguration # the actions actionContainer = qt.QWidget(self) actionContainer.mainLayout = qt.QHBoxLayout(actionContainer) actionContainer.mainLayout.setContentsMargins(0, 0, 0, 0) actionContainer.mainLayout.setSpacing(2) self.acceptButton = qt.QPushButton(actionContainer) self.acceptButton.setText("Accept Seen Configuration") self.acceptButton.setAutoDefault(False) self.acceptButton.clicked.connect(self.accept) self.cancelButton = qt.QPushButton(actionContainer) self.cancelButton.setText("Reject Seen Configuration") self.cancelButton.setAutoDefault(False) self.cancelButton.clicked.connect(self.reject) actionContainer.mainLayout.addWidget(self.acceptButton) actionContainer.mainLayout.addWidget(self.cancelButton) # arrange things #self.actionContainer = actionContainer self.mainLayout.addWidget(self.xasWindow) self.mainLayout.addWidget(actionContainer) class XASWindow(qt.QMainWindow): def __init__(self, parent=None, analyzer=None, color="blue", backend=None): super(XASWindow, self).__init__(parent) self.setWindowTitle("XAS Window") if parent is not None: # behave as a widget self.setWindowFlags(qt.Qt.Widget) if analyzer is None: analyzer = XASClass.XASClass() self.mdiArea = XASMdiArea(self, analyzer=analyzer, backend=backend) self.setCentralWidget(self.mdiArea) self.parametersDockWidget = qt.QDockWidget(self) self.parametersDockWidget.layout().setContentsMargins(0, 0, 0, 0) self.parametersWidget = XASParameters.XASParameters(color=color) self.parametersDockWidget.setWidget(self.parametersWidget) self.addDockWidget(qt.Qt.RightDockWidgetArea, self.parametersDockWidget) # connect self.parametersWidget.sigXASParametersSignal.connect(self._parametersSlot) self.mdiArea.sigXASMdiAreaSignal.connect(self._update) def setSpectrum(self, energy, mu): self.mdiArea.setSpectrum(energy, mu) self.parametersWidget.setSpectrum(energy, mu) def setConfiguration(self, ddict): self.mdiArea.setConfiguration(ddict) self.parametersWidget.setParameters(ddict) def getConfiguration(self, ddict): return self.mdiArea.getConfiguration() def setParameters(self, ddict): self.parametersWidget.setParameters(ddict) def getParameters(self): return self.parametersWidget.getParameters() def _parametersSlot(self, ddict): if DEBUG: print("XASWindow.parametersSlot", ddict) analyzer = self.mdiArea.analyzer if "XASParameters" in ddict: ddict = ddict["XASParameters"] analyzer.setConfiguration(ddict) if DEBUG: print("ANALYZER CONFIGURATION FINAL") print(analyzer.getConfiguration()) self.update() def update(self, ddict=None): if ddict is None: # The emitted signal will reach self._update ddict = self.mdiArea.update() else: self._update(ddict) def _update(self, ddict): jump = ddict["Jump"] e0 = ddict["Edge"] maximumKRange = XASClass.e2k(ddict["NormalizedEnergy"][-1] - e0) self.parametersWidget.setJump(jump) self.parametersWidget.setMaximumK(maximumKRange) def setTitleColor(self, color): self.parametersWidget.setTitleColor(color) class XASMdiArea(qt.QMdiArea): sigXASMdiAreaSignal = qt.pyqtSignal(object) def __init__(self, parent=None, analyzer=None, backend=None): super(XASMdiArea, self).__init__(parent) if analyzer is None: analyzer = XASClass.XASClass() self.analyzer = analyzer #self.setActivationOrder(qt.QMdiArea.CreationOrder) self._windowDict = {} self._windowList = ["Spectrum", "Post-edge", "Signal", "FT"] self._windowList.reverse() for title in self._windowList: plot = PlotWindow.PlotWindow(self, #control=True, position=True, backend=backend) plot.setWindowTitle(title) self.addSubWindow(plot) self._windowDict[title] = plot plot.setDataMargins(0, 0, 0.025, 0.025) self._windowList.reverse() self.setActivationOrder(qt.QMdiArea.StackingOrder) self.tileSubWindows() #self.cascadeSubWindows() #for window in self.subWindowList(): # print(" window = ", window.windowTitle()) def getConfiguration(self): return self.analyzer.getConfiguration() def setConfiguration(self, ddict): # TODO: try except message return self.analyzer.setConfiguration(ddict) def setSpectrum(self, energy, mu): for key in self._windowDict: self._windowDict[key].clearCurves() # try to detect if we are working in eV or in keV if energy [0] < 200: if abs(energy[-1] - energy[0]) < 10: energy = energy * 1000. self._windowDict["Spectrum"].addCurve(energy, mu, legend="Spectrum", xlabel="Energy (eV)", ylabel="Absorption (a.u.)") return self.analyzer.setSpectrum(energy, mu) def update(self, ddict=None): if ddict is None: ddict = self.analyzer.processSpectrum() idx = (ddict["NormalizedEnergy"] >= ddict["NormalizedPlotMin"]) & \ (ddict["NormalizedEnergy"] <= ddict["NormalizedPlotMax"]) plot = self._windowDict["Spectrum"] e0 = ddict["Edge"] plot.addCurve(ddict["Energy"] - e0, ddict["Mu"], legend="Spectrum", xlabel="Energy (eV)", ylabel="Absorption (a.u.)", replot=False, replace=True) plot.addCurve(ddict["NormalizedEnergy"][idx] - e0, ddict["NormalizedMu"][idx], legend="Normalized", xlabel="Energy (eV)", ylabel="Absorption (a.u.)", yaxis="right", replot=False) plot.addCurve(ddict["NormalizedEnergy"] - e0, ddict["NormalizedSignal"], legend="Post", replot=False) plot.addCurve(ddict["NormalizedEnergy"] - e0, ddict["NormalizedBackground"], legend="Pre",replot=False) plot.resetZoom() #idxK = ddict["EXAFSKValues"] >= 0 idx = (ddict["EXAFSKValues"] >= ddict["KMin"]) & \ (ddict["EXAFSKValues"] <= ddict["KMax"]) plot = self._windowDict["Post-edge"] plot.addCurve(ddict["EXAFSKValues"][idx], ddict["EXAFSSignal"][idx], legend="EXAFSSignal", xlabel="K", ylabel="Normalized Units", replace=True, replot=False) plot.addCurve(ddict["EXAFSKValues"][idx], ddict["PostEdgeB"][idx], legend="PostEdge", xlabel="K", ylabel="Normalized Units", color="blue", replot=False) if 0: plot.clearMarkers() for i in range(len(ddict["KnotsX"])): plot.insertMarker(ddict["KnotsX"][i], ddict["KnotsY"][i], legend="Knot %d" % (i+1), text="Knot %d" % (i+1), replot=False, draggable=False, selectable=False, color="orange") else: plot.addCurve(ddict["KnotsX"], ddict["KnotsY"], legend="Knots", replot=False, linestyle="", symbol="o", color="orange") plot.resetZoom() plot = self._windowDict["Signal"] if ddict["KWeight"]: if ddict["KWeight"] == 1: ylabel = "EXAFS Signal * k" else: ylabel = "EXAFS Signal * k^%d" % ddict["KWeight"] else: ylabel = "EXAFS Signal" plot.addCurve(ddict["EXAFSKValues"][idx], ddict["EXAFSNormalized"][idx], legend="Normalized EXAFS", xlabel="K", ylabel=ylabel, replace=True, replot=False) plot.addCurve(ddict["FT"]["K"], ddict["FT"]["WindowWeight"], legend="FT Window", xlabel="K", ylabel="Weight", yaxis="right", color="red", replace=False, replot=False) plot.resetZoom() plot = self._windowDict["FT"] plot.addCurve(ddict["FT"]["FTRadius"], ddict["FT"]["FTIntensity"], legend="FT Intensity", xlabel="R (Angstrom)", ylabel="Arbitrary Units", replace=True, replot=False) """ plot.addCurve(ddict["FT"]["FTRadius"], ddict["FT"]["FTReal"], legend="FT Real", xlabel="R (Angstrom)", ylabel="Arbitrary Units", color="green", replace=False, replot=False) """ plot.addCurve(ddict["FT"]["FTRadius"], ddict["FT"]["FTImaginary"], legend="FT Imaginary", xlabel="R (Angstrom)", ylabel="Arbitrary Units", color="red", replace=False, replot=False) plot.resetZoom() self.sigXASMdiAreaSignal.emit(ddict) if __name__ == "__main__": DEBUG = 1 app = qt.QApplication([]) from PyMca5.PyMcaIO import specfilewrapper as specfile from PyMca5.PyMcaDataDir import PYMCA_DATA_DIR if len(sys.argv) > 1: fileName = sys.argv[1] else: fileName = os.path.join(PYMCA_DATA_DIR, "EXAFS_Ge.dat") data = specfile.Specfile(fileName)[0].data()[-2:, :] energy = data[0, :] mu = data[1, :] if 0: w = XASWindow() w.show() w.setSpectrum(energy, mu) w.update() app.exec_() else: from PyMca5.PyMca import XASClass ownAnalyzer = XASClass.XASClass() configuration = ownAnalyzer.getConfiguration() w = XASDialog() w.setSpectrum(energy, mu) w.setConfiguration(configuration) print("SENT CONFIGURATION", configuration["Normalization"]) if w.exec_(): print("PARAMETERS = ", w.getConfiguration()) else: print("PARAMETERS = ", configuration) PyMca5-5.2.2/PyMca5/PyMcaGui/plotting/0000755000276300001750000000000013205526235017342 5ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/PyMcaGui/plotting/MaskScatterWidget.py0000644000276300001750000012274613136054446023320 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2015 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" ___doc__ = """ This module implements a scatter plot with selection capabilities. It is structured in three superposed layers: - First (deepest) layer containing the original points as they came. - Second layer containing the scatter plot density map. - Final layer containing the selected points with the selected colors. """ import sys import os import numpy from PyMca5.PyMcaGraph.ctools import pnpoly DEBUG = 0 from . import PlotWindow from . import MaskImageWidget from . import MaskImageTools qt = PlotWindow.qt if hasattr(qt, "QString"): QString = qt.QString else: QString = qt.safe_str IconDict = PlotWindow.IconDict class MaskScatterWidget(PlotWindow.PlotWindow): sigMaskScatterWidgetSignal = qt.pyqtSignal(object) DEFAULT_COLORMAP_INDEX = 2 DEFAULT_COLORMAP_LOG_FLAG = True def __init__(self, parent=None, backend=None, plugins=False, newplot=False, control=False, position=False, maxNRois=1, grid=False, logx=False, logy=False, togglePoints=False, normal=True, polygon=True, colormap=True, aspect=True, imageIcons=True, bins=None, **kw): super(MaskScatterWidget, self).__init__(parent=parent, backend=backend, plugins=plugins, newplot=newplot, control=control, position=position, grid=grid, logx=logx, logy=logy, togglePoints=togglePoints, normal=normal, aspect=aspect, colormap=colormap, imageIcons=imageIcons, polygon=polygon, **kw) self._buildAdditionalSelectionMenuDict() self._selectionCurve = None self._selectionMask = None self._selectionColors = numpy.zeros((len(self.colorList), 4), numpy.uint8) self._alphaLevel = None for i in range(len(self.colorList)): self._selectionColors[i, 0] = eval("0x" + self.colorList[i][-2:]) self._selectionColors[i, 1] = eval("0x" + self.colorList[i][3:-2]) self._selectionColors[i, 2] = eval("0x" + self.colorList[i][1:3]) self._selectionColors[i, 3] = 0xff self._maxNRois = maxNRois self._nRoi = 1 self._zoomMode = True self._eraseMode = False self._brushMode = False self._brushWidth = 5 self._brushMenu = None self._bins = bins self._densityPlotWidget = None self._pixmap = None self.setPlotViewMode("scatter", bins=bins) self.setDrawModeEnabled(False) def setPlotViewMode(self, mode="scatter", bins=None): if mode.lower() != "density": self._activateScatterPlotView() else: self._activateDensityPlotView(bins) def _activateScatterPlotView(self): self._plotViewMode = "scatter" for key in ["colormap", "brushSelection", "brush"]: self.setToolBarActionVisible(key, False) if hasattr(self, "eraseSelectionToolButton"): self.eraseSelectionToolButton.setToolTip("Set erase mode if checked") self.eraseSelectionToolButton.setCheckable(True) if self._eraseMode: self.eraseSelectionToolButton.setChecked(True) else: self.eraseSelectionToolButton.setChecked(False) if hasattr(self, "polygonSelectionToolButton"): self.polygonSelectionToolButton.setCheckable(True) if hasattr(self, "rectSelectionToolButton"): self.rectSelectionToolButton.setCheckable(True) if hasattr(self, "brushSelectionToolButton"): if self.brushSelectionToolButton.isChecked(): self.brushSelectionToolButton.setChecked(False) self._brushMode = False self.setZoomModeEnabled(True) self.clearImages() self._updatePlot() def _activateDensityPlotView(self, bins=None): self._plotViewMode = "density" for key in ["colormap", "brushSelection", "brush", "rectangle"]: self.setToolBarActionVisible(key, True) if hasattr(self, "eraseSelectionToolButton"): self.eraseSelectionToolButton.setCheckable(True) if hasattr(self, "brushSelectionToolButton"): self.brushSelectionToolButton.setCheckable(True) if hasattr(self, "polygonSelectionToolButton"): self.polygonSelectionToolButton.setCheckable(True) if hasattr(self, "rectSelectionToolButton"): self.rectSelectionToolButton.setCheckable(True) if DEBUG: if self._densityPlotWidget is None: self._densityPlotWidget = MaskImageWidget.MaskImageWidget( imageicons=True, selection=True, profileselection=True, aspect=True, polygon=True) self._densityPlotWidget.sigMaskImageWidgetSignal.connect(self._densityPlotSlot) self._updateDensityPlot(bins) # only show it in debug mode self._densityPlotWidget.show() curve = self.getCurve(self._selectionCurve) if curve is None: return x, y, legend, info = curve[0:4] self.setSelectionCurveData(x, y, legend=legend, info=info) def getDensityData(self, bins=None): curve = self.getCurve(self._selectionCurve) if curve is None: return x, y, legend, info = curve[0:4] if bins is not None: if type(bins) == type(1): bins = (bins, bins) elif len(bins) == 0: bins = (bins[0], bins[0]) else: bins = bins[0:2] elif self._bins is None: bins = [int(x.size/ 10), int(y.size/10)] if bins[0] > 100: bins[0] = 100 elif bins[0] < 2: bins[0] = 2 if bins[1] > 100: bins[1] = 100 elif bins[1] < 2: bins[1] = 2 else: bins = self._bins x0 = x.min() y0 = y.min() image = numpy.histogram2d(y, x, bins=bins, #range=(binsY, binsX), normed=False) self._binsX = image[2] self._binsY = image[1] self._bins = bins #print("shape", image[0].shape, "image max min ", image[0].max(), image[0].min()) #print("deltaxmin and max", (self._binsX[1:] - self._binsX[:-1]).min(), # (self._binsX[1:] - self._binsX[:-1]).max()) deltaX = (self._binsX[1:]- self._binsX[:-1]).mean() deltaY = (self._binsY[1:]- self._binsY[:-1]).mean() self._xScale = (x0, deltaX) self._yScale = (y0, deltaY) return image[0] def _updateDensityPlot(self, bins=None): if DEBUG: print("_updateDensityPlot called") if self._densityPlotWidget is None: return curve = self.getCurve(self._selectionCurve) if curve is None: return x, y, legend, info = curve[0:4] if bins is not None: if type(bins) == type(1): bins = (bins, bins) elif len(bins) == 0: bins = (bins[0], bins[0]) else: bins = bins[0:2] elif self._bins is None: bins = [int(x.size/ 10), int(y.size/10)] if bins[0] > 100: bins[0] = 100 elif bins[0] < 2: bins[0] = 2 if bins[1] > 100: bins[1] = 100 elif bins[1] < 2: bins[1] = 2 else: bins = self._bins x0 = x.min() y0 = y.min() deltaX = (x.max() - x0)/float(bins[0] - 1) deltaY = (y.max() - y0)/float(bins[1] - 1) self.xScale = (x0, deltaX) self.yScale = (y0, deltaY) binsX = numpy.arange(bins[0]) * deltaX binsY = numpy.arange(bins[1]) * deltaY image = numpy.histogram2d(y, x, bins=(binsY, binsX), normed=False) self._binsX = image[2] self._binsY = image[1] self._bins = bins if DEBUG: # this does not work properly # update mask levels if self._selectionMask is not None: weights = self._selectionMask[:] weights.shape = x.shape if self._maxNRois > 1: print("BAD PATH") # this does not work properly yet weightsSum = weights.sum(dtype=numpy.float64) volume = (binsY[1] - binsY[0]) * (binsX[1] - binsX[0]) mask = numpy.round(numpy.histogram2d(y, x, bins=(binsY, binsX), weights=weights, normed=True)[0] * weightsSum * volume).astype(numpy.uint8) else: #print("GOOD PATH") mask = numpy.histogram2d(y, x, bins=(binsY, binsX), weights=weights, normed=False)[0] mask[mask > 0] = 1 #print(mask.min(), mask.max()) self._densityPlotWidget.setSelectionMask(mask, plot=False) self._densityPlotWidget.graphWidget.graph.setGraphXLabel(self.getGraphXLabel()) self._densityPlotWidget.graphWidget.graph.setGraphYLabel(self.getGraphYLabel()) self._densityPlotWidget.setImageData(image[0], clearmask=False, xScale=self.xScale, yScale=self.yScale) # do not ovelay plot (yet) pixmap = self._densityPlotWidget.getPixmap() * 1 #pixmap[:, :, 3] = 128 #self.addImage(pixmap, # legend=legend+" density", # xScale=(x0, deltaX), yScale=(y0, deltaY), z=10) self._pixmap = pixmap self._imageData = image[0] #raise NotImplemented("Density plot view not implemented yet") def setSelectionCurveData(self, x, y, legend=None, info=None, replot=True, replace=True, linestyle=" ", color=None, symbol=None, selectable=None, **kw): self.enableActiveCurveHandling(False) if legend is None: legend = "MaskScatterWidget" if symbol is None: if x.size < 1000: # circle symbol = "o" elif x.size < 1.0e5: # dot symbol = "." else: # pixel symbol = "," #if selectable is None: # if symbol == ",": # selectable = False # else: # selectable = True # the basic curve is drawn self.addCurve(x=x, y=y, legend=legend, info=info, replace=replace, replot=False, linestyle=linestyle, color=color, symbol=symbol, selectable=selectable,z=0, **kw) self._selectionCurve = legend # if view mode, draw the image if self._plotViewMode == "density": # get the binned data imageData = self.getDensityData() # get the associated pixmap if self.colormapDialog is None: self._initColormapDialog(imageData) cmap = self.colormapDialog.getColormap() pixmap=MaskImageTools.getPixmapFromData(imageData, colormap=cmap) self.addImage(imageData, legend=legend + "density", xScale=self._xScale, yScale=self._yScale, z=0, pixmap=pixmap, replot=False) self._imageData = imageData self._pixmap = pixmap # draw the mask as a set of curves hasMaskedData = False if self._selectionMask is not None: if self._selectionMask.max(): hasMaskedData = True if hasMaskedData or (replace==False): self._updatePlot(replot=False) # update the plot if it was requested if replot: self.replot() if 0 :#or self._plotViewMode == "density": # get the binned data imageData = self.getDensityData() # get the associated pixmap pixmap=MaskImageTools.getPixmapFromData(imageData) if 0: self.addImage(imageData, legend=legend + "density", xScale=self._xScale, yScale=self._yScale, z=0, pixmap=pixmap, replot=True) if DEBUG: if self._densityPlotWidget is None: self._densityPlotWidget = MaskImageWidget.MaskImageWidget( imageicons=True, selection=True, profileselection=True, aspect=True, polygon=True) self._updateDensityPlot() print("CLOSE = ", numpy.allclose(imageData, self._imageData)) print("CLOSE PIXMAP = ", numpy.allclose(pixmap, self._pixmap)) self._imageData = imageData self._pixmap = pixmap #self._updatePlot() def setSelectionMask(self, mask=None, plot=True): if self._selectionCurve is not None: selectionCurve = self.getCurve(self._selectionCurve) if selectionCurve in [[], None]: self._selectionCurve = None self._selectionMask = mask else: x, y = selectionCurve[0:2] x = numpy.array(x, copy=False) if hasattr(mask, "size"): if mask.size == x.size: if self._selectionMask is None: self._selectionMask = mask elif self._selectionMask.size == mask.size: # keep shape because we may refer to images tmpView = self._selectionMask[:] tmpView.shape = -1 tmpMask = mask[:] tmpMask.shape = -1 tmpView[:] = tmpMask[:] else: self._selectionMask = mask else: raise ValueError("Mask size = %d while data size = %d" % (mask.size, x.size)) if plot: self._updatePlot() def getSelectionMask(self): if self._selectionMask is None: if self._selectionCurve is not None: x, y, legend, info = self.getCurve(self._selectionCurve) self._selectionMask = numpy.zeros(x.shape, numpy.uint8) return self._selectionMask def _updatePlot(self, replot=True, replace=True): if self._selectionCurve is None: return x0, y0, legend, info = self.getCurve(self._selectionCurve) # make sure we work with views x = x0[:] y = y0[:] x.shape = -1 y.shape = -1 if 0: colors = numpy.zeros((y.size, 4), dtype=numpy.uint8) colors[:, 3] = 255 if self._selectionMask is not None: tmpMask = self._selectionMask[:] tmpMask.shape = -1 for i in range(0, self._maxNRois + 1): colors[tmpMask == i, :] = self._selectionColors[i] self.setSelectionCurveData(x, y, legend=legend, info=info, #color=colors, color="k", linestyle=" ", replot=replot, replace=replace) else: if self._selectionMask is None: for i in range(1, self._maxNRois + 1): self.removeCurve(legend=legend + " %02d" % i, replot=False) else: tmpMask = self._selectionMask[:] tmpMask.shape = -1 if self._plotViewMode == "density": useAlpha = True if self._alphaLevel is None: self._initializeAlpha() else: useAlpha = False for i in range(1, self._maxNRois + 1): xMask = x[tmpMask == i] yMask = y[tmpMask == i] if xMask.size < 1: self.removeCurve(legend=legend + " %02d" % i, replot=False) continue color = self._selectionColors[i].copy() if useAlpha: if len(color) == 4: if type(color[3]) in [numpy.uint8, numpy.int]: color[3] = self._alphaLevel # a copy of the input info is needed in order not # to set the main curve to that color self.addCurve(xMask, yMask, legend=legend + " %02d" % i, info=info.copy(), color=color, linestyle=" ", selectable=False, z=1, replot=False, replace=False) if replot: self.replot() #self.resetZoom() def setActiveRoiNumber(self, intValue): if (intValue < 0) or (intValue > self._maxNRois): raise ValueError("Value %d outside the interval [0, %d]" % (intValue, self._maxNRois)) self._nRoi = intValue def _eraseSelectionIconSignal(self): if self.eraseSelectionToolButton.isChecked(): self._eraseMode = True else: self._eraseMode = False def _polygonIconSignal(self): if self.polygonSelectionToolButton.isChecked(): self.setPolygonSelectionMode() else: self.setZoomModeEnabled(True) def _rectSelectionIconSignal(self): if DEBUG: print("_rectSelectionIconSignal") if self.rectSelectionToolButton.isChecked(): self.setRectangularSelectionMode() else: self.setZoomModeEnabled(True) def setZoomModeEnabled(self, flag, color=None): if color is None: if hasattr(self, "colormapDialog"): if self.colormapDialog is None: color = "#00FFFF" else: cmap = self.colormapDialog.getColormap() if cmap[0] < 2: color = "#00FFFF" else: color = "black" super(MaskScatterWidget, self).setZoomModeEnabled(flag, color=color) if flag: if hasattr(self,"polygonSelectionToolButton"): self.polygonSelectionToolButton.setChecked(False) if hasattr(self,"brushSelectionToolButton"): self.brushSelectionToolButton.setChecked(False) def _handlePolygonMask(self, points): if DEBUG: print("_handlePolygonMask called") if self._eraseMode: value = 0 else: value = self._nRoi x, y, legend, info = self.getCurve(self._selectionCurve) x.shape = -1 y.shape = -1 currentMask = self.getSelectionMask() if currentMask is None: currentMask = numpy.zeros(y.shape, dtype=numpy.uint8) if value == 0: return Z = numpy.zeros((y.size, 2), numpy.float64) Z[:, 0] = x Z[:, 1] = y mask = pnpoly(points, Z, 1) mask.shape = currentMask.shape currentMask[mask > 0] = value self.setSelectionMask(currentMask, plot=True) self._emitMaskChangedSignal() def graphCallback(self, ddict): if DEBUG: print("MaskScatterWidget graphCallback", ddict) if ddict["event"] == "drawingFinished": if ddict["parameters"]["shape"].lower() == "rectangle": points = numpy.zeros((5,2), dtype=ddict["points"].dtype) points[0] = ddict["points"][0] points[1, 0] = ddict["points"][0, 0] points[1, 1] = ddict["points"][1, 1] points[2] = ddict["points"][1] points[3, 0] = ddict["points"][1, 0] points[3, 1] = ddict["points"][0, 1] points[4] = ddict["points"][0] self._handlePolygonMask(points) else: self._handlePolygonMask(ddict["points"]) elif ddict['event'] in ["mouseMoved", "MouseAt", "mouseClicked"]: if (self._plotViewMode == "density") and \ (self._imageData is not None): shape = self._imageData.shape row, column = MaskImageTools.convertToRowAndColumn( \ ddict['x'], ddict['y'], shape, xScale=self._xScale, yScale=self._yScale, safe=True) halfWidth = 0.5 * self._brushWidth #in (row, column) units halfHeight = 0.5 * self._brushWidth #in (row, column) units columnMin = max(column - halfWidth, 0) columnMax = min(column + halfWidth, shape[1]) rowMin = max(row - halfHeight, 0) rowMax = min(row + halfHeight, shape[0]) rowMin = min(int(round(rowMin)), shape[0] - 1) rowMax = min(int(round(rowMax)), shape[0]) columnMin = min(int(round(columnMin)), shape[1] - 1) columnMax = min(int(round(columnMax)), shape[1]) if rowMin == rowMax: rowMax = rowMin + 1 elif (rowMax - rowMin) > self._brushWidth: # python 3 implements banker's rounding # test case ddict['x'] = 23.3 gives: # i1 = 22 and i2 = 24 in python 3 # i1 = 23 and i2 = 24 in python 2 rowMin = rowMax - self._brushWidth if columnMin == columnMax: columnMax = columnMin + 1 elif (columnMax - columnMin) > self._brushWidth: # python 3 implements banker's rounding # test case ddict['x'] = 23.3 gives: # i1 = 22 and i2 = 24 in python 3 # i1 = 23 and i2 = 24 in python 2 columnMin = columnMax - self._brushWidth #To show array coordinates: #x = self._xScale[0] + columnMin * self._xScale[1] #y = self._yScale[0] + rowMin * self._yScale[1] #self.setMouseText("%g, %g, %g" % (x, y, self.__imageData[rowMin, columnMin])) #To show row and column: #self.setMouseText("%g, %g, %g" % (row, column, self.__imageData[rowMin, columnMin])) #To show mouse coordinates: #self.setMouseText("%g, %g, %g" % (ddict['x'], ddict['y'], self.__imageData[rowMin, columnMin])) if self._xScale is not None: x = self._xScale[0] + column * self._xScale[1] y = self._yScale[0] + row * self._yScale[1] else: x = column y = row self.setMouseText("%g, %g, %g" % (x, y, self._imageData[row, column])) if self._brushMode: if self.isZoomModeEnabled(): return if ddict['button'] != "left": return selectionMask = numpy.zeros(self._imageData.shape, numpy.uint8) if self._eraseMode: selectionMask[rowMin:rowMax, columnMin:columnMax] = 1 else: selectionMask[rowMin:rowMax, columnMin:columnMax] = \ self._nRoi self._setSelectionMaskFromDensityMask(selectionMask, update=True) #if emitsignal: # #should this be made by the parent? # self.plotImage(update = False) # # #inform the other widgets # self._emitMaskChangedSignal() # the base implementation handles ROIs, mouse position and activeCurve super(MaskScatterWidget, self).graphCallback(ddict) def _brushIconSignal(self): if DEBUG: print("brushIconSignal") if self._brushMenu is None: self._brushMenu = qt.QMenu() self._brushMenu.addAction(QString(" 1 Image Pixel Width"), self._setBrush1) self._brushMenu.addAction(QString(" 2 Image Pixel Width"), self._setBrush2) self._brushMenu.addAction(QString(" 3 Image Pixel Width"), self._setBrush3) self._brushMenu.addAction(QString(" 5 Image Pixel Width"), self._setBrush4) self._brushMenu.addAction(QString("10 Image Pixel Width"), self._setBrush5) self._brushMenu.addAction(QString("20 Image Pixel Width"), self._setBrush6) self._brushMenu.exec_(self.cursor().pos()) def _brushSelectionIconSignal(self): if DEBUG: print("_setBrushSelectionMode") if hasattr(self, "polygonSelectionToolButton"): self.polygonSelectionToolButton.setChecked(False) self.setDrawModeEnabled(False) if self.brushSelectionToolButton.isChecked(): self._brushMode = True self.setZoomModeEnabled(False) else: self._brushMode = False self.setZoomModeEnabled(True) def _setBrush1(self): self._brushWidth = 1 def _setBrush2(self): self._brushWidth = 2 def _setBrush3(self): self._brushWidth = 3 def _setBrush4(self): self._brushWidth = 5 def _setBrush5(self): self._brushWidth = 10 def _setBrush6(self): self._brushWidth = 20 def setRectangularSelectionMode(self): """ Resets zoom mode and enters selection mode with the current active ROI index """ self._zoomMode = False self._brushMode = False color = self._selectionColors[self._nRoi] # make sure the selection is made with a non transparent color if len(color) == 4: if type(color[-1]) in [numpy.uint8, numpy.int8]: color = color.copy() color[-1] = 255 self.setDrawModeEnabled(True, shape="rectangle", label="mask", color=color) self.setZoomModeEnabled(False) if hasattr(self, "brushSelectionToolButton"): self.brushSelectionToolButton.setChecked(False) if hasattr(self,"polygonSelectionToolButton"): self.polygonSelectionToolButton.setChecked(False) if hasattr(self,"rectSelectionToolButton"): self.rectSelectionToolButton.setChecked(True) def setPolygonSelectionMode(self): """ Resets zoom mode and enters selection mode with the current active ROI index """ self._zoomMode = False self._brushMode = False color = self._selectionColors[self._nRoi] # make sure the selection is made with a non transparent color if len(color) == 4: if type(color[-1]) in [numpy.uint8, numpy.int8]: color = color.copy() color[-1] = 255 self.setDrawModeEnabled(True, shape="polygon", label="mask", color=color) self.setZoomModeEnabled(False) if hasattr(self, "brushSelectionToolButton"): self.brushSelectionToolButton.setChecked(False) if hasattr(self,"rectSelectionToolButton"): self.rectSelectionToolButton.setChecked(False) if hasattr(self,"polygonSelectionToolButton"): self.polygonSelectionToolButton.setChecked(True) def setEraseSelectionMode(self, erase=True): if erase: self._eraseMode = True else: self._eraseMode = False if hasattr(self, "eraseSelectionToolButton"): self.eraseSelectionToolButton.setCheckable(True) if erase: self.eraseSelectionToolButton.setChecked(True) else: self.eraseSelectionToolButton.setChecked(False) def _emitMaskChangedSignal(self): #inform the other widgets ddict = {} ddict['event'] = "selectionMaskChanged" ddict['current'] = self._selectionMask * 1 ddict['id'] = id(self) self.emitMaskScatterWidgetSignal(ddict) def emitMaskScatterWidgetSignal(self, ddict): self.sigMaskScatterWidgetSignal.emit(ddict) def _imageIconSignal(self): self.__resetSelection() def _buildAdditionalSelectionMenuDict(self): self._additionalSelectionMenu = {} #scatter view menu menu = qt.QMenu() menu.addAction(QString("Density plot view"), self.__setDensityPlotView) menu.addAction(QString("Reset Selection"), self.__resetSelection) menu.addAction(QString("Invert Selection"), self._invertSelection) self._additionalSelectionMenu["scatter"] = menu # density view menu menu = qt.QMenu() menu.addAction(QString("Scatter plot view"), self.__setScatterPlotView) menu.addAction(QString("Reset Selection"), self.__resetSelection) menu.addAction(QString("Invert Selection"), self._invertSelection) menu.addAction(QString("I >= Colormap Max"), self._selectMax) menu.addAction(QString("Colormap Min < I < Colormap Max"), self._selectMiddle) menu.addAction(QString("I <= Colormap Min"), self._selectMin) menu.addAction(QString("Increase mask alpha"), self._increaseMaskAlpha) menu.addAction(QString("Decrease mask alpha"), self._decreaseMaskAlpha) self._additionalSelectionMenu["density"] = menu def __setScatterPlotView(self): self.setPlotViewMode(mode="scatter") def __setDensityPlotView(self): self.setPlotViewMode(mode="density") def _additionalIconSignal(self): if self._plotViewMode == "density": # and imageData is not none ... self._additionalSelectionMenu["density"].exec_(self.cursor().pos()) else: self._additionalSelectionMenu["scatter"].exec_(self.cursor().pos()) def __resetSelection(self): # Needed because receiving directly in _resetSelection it was passing # False as argument self._resetSelection(True) def _resetSelection(self, owncall=True): if DEBUG: print("_resetSelection") if self._selectionMask is None: print("Selection mask is None, doing nothing") return else: self._selectionMask[:] = 0 self._updatePlot() #inform the others if owncall: ddict = {} ddict['event'] = "resetSelection" ddict['id'] = id(self) self.emitMaskScatterWidgetSignal(ddict) def _invertSelection(self): if self._selectionMask is None: return mask = numpy.ones(self._selectionMask.shape, numpy.uint8) mask[self._selectionMask > 0] = 0 self.setSelectionMask(mask, plot=True) self._emitMaskChangedSignal() def _getSelectionMinMax(self): if self.colormap is None: goodData = self._imageData[numpy.isfinite(self._imageData)] maxValue = goodData.max() minValue = goodData.min() else: minValue = self.colormap[2] maxValue = self.colormap[3] return minValue, maxValue def _selectMax(self): if (self._plotViewMode != "density") or \ (self._imageData is None): return selectionMask = numpy.zeros(self._imageData.shape, numpy.uint8) minValue, maxValue = self._getSelectionMinMax() tmpData = numpy.array(self._imageData, copy=True) tmpData[True - numpy.isfinite(self._imageData)] = minValue selectionMask[tmpData >= maxValue] = self._nRoi self._setSelectionMaskFromDensityMask(selectionMask) self._emitMaskChangedSignal() def _selectMiddle(self): if (self._plotViewMode != "density") or \ (self._imageData is None): return selectionMask = numpy.zeros(self._imageData.shape, numpy.uint8) selectionMask[:] = self._nRoi minValue, maxValue = self._getSelectionMinMax() tmpData = numpy.array(self._imageData, copy=True) tmpData[True - numpy.isfinite(self._imageData)] = minValue selectionMask[tmpData >= maxValue] = 0 selectionMask[tmpData <= minValue] = 0 self._setSelectionMaskFromDensityMask(selectionMask) self._emitMaskChangedSignal() def _selectMin(self): if (self._plotViewMode != "density") or \ (self._imageData is None): return selectionMask = numpy.zeros(self._imageData.shape, numpy.uint8) minValue, maxValue = self._getSelectionMinMax() tmpData = numpy.array(self._imageData, copy=True) tmpData[True - numpy.isfinite(self._imageData)] = maxValue selectionMask[tmpData <= minValue] = self._nRoi self._setSelectionMaskFromDensityMask(selectionMask) self._emitMaskChangedSignal() def _setSelectionMaskFromDensityMask(self, densityPlotMask, update=None): if DEBUG: print("_setSelectionMaskFromDensityMask called") curve = self.getCurve(self._selectionCurve) if curve is None: return x, y, legend, info = curve[0:4] bins = self._bins x0 = x.min() y0 = y.min() deltaX = (x.max() - x0)/float(bins[0]) deltaY = (y.max() - y0)/float(bins[1]) columns = numpy.digitize(x, self._binsX, right=True) columns[columns>=densityPlotMask.shape[1]] = \ densityPlotMask.shape[1] - 1 rows = numpy.digitize(y, self._binsY, right=True) rows[rows>=densityPlotMask.shape[0]] = densityPlotMask.shape[0] - 1 values = densityPlotMask[rows, columns] values.shape = -1 if self._selectionMask is None: view = numpy.zeros(x.size, dtype=numpy.uint8) view[:] = values[:] elif update: view = self._selectionMask.copy() if self._eraseMode: view[values > 0] = 0 else: view[values > 0] = values[values > 0] else: view = numpy.zeros(self._selectionMask.size, dtype=self._selectionMask.dtype) view[:] = values[:] if self._selectionMask is not None: view.shape = self._selectionMask.shape self.setSelectionMask(view, plot=True) def _densityPlotSlot(self, ddict): if DEBUG: print("_densityPlotSlot called") if ddict["event"] == "resetSelection": self.__resetSelection() return if ddict["event"] not in ["selectionMaskChanged"]: return densityPlotMask = ddict["current"] curve = self.getCurve(self._selectionCurve) if curve is None: return x, y, legend, info = curve[0:4] bins = self._bins x0 = x.min() y0 = y.min() deltaX = (x.max() - x0)/float(bins[0]) deltaY = (y.max() - y0)/float(bins[1]) if DEBUG: if self._selectionMask is None: view = numpy.zeros(x.size, dtype=numpy.uint8) else: view = numpy.zeros(self._selectionMask.size, dtype=self._selectionMask.dtype) # this works even on unordered data for i in range(x.size): row = int((y[i] - y0) /deltaY) column = int((x[i] - x0) /deltaX) try: value = densityPlotMask[row, column] except: if row >= densityPlotMask.shape[0]: row = densityPlotMask.shape[0] - 1 if column >= densityPlotMask.shape[1]: column = densityPlotMask.shape[1] - 1 value = densityPlotMask[row, column] if value: view[i] = value if self._selectionMask is not None: view.shape = self._selectionMask.shape self.setSelectionMask(view) if self._selectionMask is None: view2 = numpy.zeros(x.size, dtype=numpy.uint8) else: view2 = numpy.zeros(self._selectionMask.size, dtype=self._selectionMask.dtype) columns = numpy.digitize(x, self._binsX, right=True) columns[columns>=densityPlotMask.shape[1]] = densityPlotMask.shape[1] - 1 rows = numpy.digitize(y, self._binsY, right=True) rows[rows>=densityPlotMask.shape[0]] = densityPlotMask.shape[0] - 1 values = densityPlotMask[rows, columns] values.shape = -1 view2[:] = values[:] if self._selectionMask is not None: view2.shape = self._selectionMask.shape if DEBUG: if not numpy.allclose(view, view2): a = view[:] b = view2[:] a.shape = -1 b.shape = -1 c = 0 for i in range(a.size): if a[i] != b[i]: print(i, "a = ", a[i], "b = ", b[i], "(x, y) = ", x[i], y[i]) c += 1 if c > 10: break else: print("OK!!!") self.setSelectionMask(view2) def _initializeAlpha(self): self._alphaLevel = 128 def _increaseMaskAlpha(self): if self._alphaLevel is None: self._initializeAlpha() self._alphaLevel *= 4 if self._alphaLevel > 255: self._alphaLevel = 255 self._alphaLevel self._updatePlot() def _decreaseMaskAlpha(self): if self._alphaLevel is None: self._initializeAlpha() self._alphaLevel /= 4 if self._alphaLevel < 2: self._alphaLevel = 2 self._updatePlot() if __name__ == "__main__": backend = "matplotlib" #backend = "opengl" app = qt.QApplication([]) def receivingSlot(ddict): print("Received: ", ddict) x = numpy.arange(100.) y = x * 1 w = MaskScatterWidget(maxNRois=10, bins=(100,100), backend=backend) w.setSelectionCurveData(x, y, color="k", selectable=False) import numpy.random w.setSelectionMask(numpy.random.permutation(100) % 10) w.setPolygonSelectionMode() w.sigMaskScatterWidgetSignal.connect(receivingSlot) w.show() app.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/plotting/ProfileScanWidget.py0000644000276300001750000001242513136054446023274 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys from PyMca5.PyMcaGui import PyMcaQt as qt if 1: # Should profileScanWidget depend on ScanWindow??? # if not, we miss profile fitting ... from PyMca5.PyMcaGui.pymca.ScanWindow import ScanWindow as Window else: from .PlotWindow import PlotWindow as Window DEBUG = 0 class ProfileScanWidget(Window): sigAddClicked = qt.pyqtSignal(object) sigRemoveClicked = qt.pyqtSignal(object) sigReplaceClicked = qt.pyqtSignal(object) def __init__(self, parent=None, actions=False, **kw): super(ProfileScanWidget, self).__init__(parent, **kw) if actions: self._buildActionsBox() def _buildActionsBox(self): widget = self.centralWidget() self.labelBox = qt.QWidget(widget) self.labelBox.mainLayout = qt.QHBoxLayout(self.labelBox) self.labelLabel = qt.QLabel(self.labelBox) self.labelLabel.setText("Selection Label = ") self.label = qt.QLineEdit(self.labelBox) self.labelBox.mainLayout.addWidget(self.labelLabel) self.labelBox.mainLayout.addWidget(self.label) self.buttonBox = self.labelBox buttonBox = self.buttonBox self.buttonBoxLayout = self.labelBox.mainLayout self.buttonBoxLayout.setContentsMargins(0, 0, 0, 0) self.buttonBoxLayout.setSpacing(0) self.addButton = qt.QPushButton(buttonBox) self.addButton.setText("ADD") self.addButton.setToolTip("Add curves to destination widget") self.removeButton = qt.QPushButton(buttonBox) self.removeButton.setText("REMOVE") self.removeButton.setToolTip("Remove curves from destination widget") self.buttonBoxLayout.addWidget(self.addButton) self.buttonBoxLayout.addWidget(self.removeButton) self.replaceButton = qt.QPushButton(buttonBox) self.replaceButton.setText("REPLACE") self.replaceButton.setToolTip("Replace curves in destination widget") self.buttonBoxLayout.addWidget(self.replaceButton) #self.mainLayout.addWidget(buttonBox) widget.layout().addWidget(buttonBox) self.addButton.clicked.connect(self._addClicked) self.removeButton.clicked.connect(self._removeClicked) self.replaceButton.clicked.connect(self._replaceClicked) def _addClicked(self): if DEBUG: print("ADD clicked") self._emitActionSignal(action='ADD') def _removeClicked(self): if DEBUG: print("REMOVE clicked") self._emitActionSignal(action='REMOVE') def _replaceClicked(self): if DEBUG: print("REPLACE clicked") self._emitActionSignal(action='REPLACE') def _emitActionSignal(self, action='ADD'): if action not in ['ADD', 'REMOVE', 'REPLACE']: print("Unrecognized action %s" % action) curveList = self.getAllCurves() if curveList in [None, []]: return text = self.label.text() if sys.version < '3.0': text = str(text) ddict = {} ddict['event'] = action ddict['action'] = action ddict['label'] = text ddict['curves'] = curveList if action == 'ADD': self.sigAddClicked.emit(ddict) elif action == 'REMOVE': self.sigRemoveClicked.emit(ddict) else: self.replaceAddClicked.emit(ddict) def test(): app = qt.QApplication([]) app.lastWindowClosed.connect(app.quit) def testSlot(ddict): print(ddict) w = ProfileScanWidget(actions=True) w.addCurve([1, 2, 3, 4], [1, 4, 9, 16], legend='Dummy') w.sigAddClicked.connect(testSlot) w.sigRemoveClicked.connect(testSlot) w.sigReplaceClicked.connect(testSlot) w.show() app.exec_() if __name__ == "__main__": DEBUG = 1 test() PyMca5-5.2.2/PyMca5/PyMcaGui/plotting/ScatterPlotCorrelatorWidget.py0000644000276300001750000001702213136054446025366 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2015 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os import numpy import traceback from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaGui.misc import SelectionTable from PyMca5.PyMcaGui.plotting import MaskScatterWidget class ScatterPlotCorrelatorWidget(MaskScatterWidget.MaskScatterWidget): def __init__(self, parent=None, labels=("Legend", "X", "Y"), types=("Text","RadioButton", "RadioButton"), toolbar=False, **kw): super(ScatterPlotCorrelatorWidget, self).__init__(None, **kw) self._splitter = qt.QSplitter(parent) self._splitter.setOrientation(qt.Qt.Horizontal) self.container = qt.QWidget(self._splitter) self.container.mainLayout = qt.QVBoxLayout(self.container) self.container.mainLayout.setContentsMargins(0, 0, 0, 0) self.container.mainLayout.setSpacing(0) # add a toolbar on top of the table if toolbar: self.toolBar = qt.QToolBar(self.container) # the selection table self.table = SelectionTable.SelectionTable(self.container, labels=labels, types=types) if toolbar: self.container.mainLayout.addWidget(self.toolBar) self.container.mainLayout.addWidget(self.table) self._splitter.addWidget(self.container) self._splitter.addWidget(self) # internal variables self._itemList = [] self._itemLabels = [] # connect self.table.sigSelectionTableSignal.connect(self.selectionTableSlot) def show(self): if self._splitter.isHidden(): self._splitter.show() else: super(ScatterPlotCorrelatorWidget, self).show() def setSelectableItemList(self, items, labels=None, copy=True): self._itemList = [] self._itemLabels = [] if labels is None: labels = [None] * len(items) for i in range(len(items)): self.addSelectableItem(items[i], label=labels[i], copy=copy) def addSelectableItem(self, item, label=None, copy=True): # we always keep a copy by default item = numpy.array(item, dtype=numpy.float32, copy=copy) if label is None: label = "Unnamed 00" i = 0 while(label in self._itemLabels): i += 1 label = "Unnamed %02d" % i if len(self._itemList): if item.size != self._itemList[0].size: raise IndexError("Invalid size") if label in self._itemLabels: self._itemList[self._itemLabels.index(label)] = item else: self._itemList.append(item) self._itemLabels.append(label) nItems = len(self._itemList) self.table.setRowCount(nItems) self.table.fillLine(nItems - 1, [label, "", ""]) self.table.resizeColumnToContents(0) self.table.resizeColumnToContents(1) self.table.resizeColumnToContents(2) ddict = self.table.getSelection() index = self._itemLabels.index(label) xKey = qt.safe_str(self.table.horizontalHeaderItem(1).text()).lower() yKey = qt.safe_str(self.table.horizontalHeaderItem(2).text()).lower() if index in (ddict[xKey] + ddict[yKey]): self.selectionTableSlot(ddict) def selectionTableSlot(self, ddict): legendKey = qt.safe_str(self.table.horizontalHeaderItem(0).text()).lower() xKey = qt.safe_str(self.table.horizontalHeaderItem(1).text()).lower() yKey = qt.safe_str(self.table.horizontalHeaderItem(2).text()).lower() if len(ddict[xKey]): x0 = self._itemList[ddict[xKey][0]] else: return if len(ddict[yKey]): y0 = self._itemList[ddict[yKey][0]] else: return x = x0[:] x.shape = -1 y = y0[:] y.shape = -1 xLabel = self._itemLabels[ddict[xKey][0]] yLabel = self._itemLabels[ddict[yKey][0]] # active curve handling is disabled self.setGraphXLabel(xLabel) self.setGraphYLabel(yLabel) self.setSelectionCurveData(x, y, legend=None, color="k", symbol=".", replot=False, replace=True, xlabel=xLabel, ylabel=yLabel, selectable=False) self._updatePlot(replot=False, replace=True) #matplotlib needs a zoom reset to update the scales # that problem does not seem to be present with OpenGL self.resetZoom() if __name__ == "__main__": if "opengl" in sys.argv: backend = "opengl" else: backend = None app = qt.QApplication([]) w = ScatterPlotCorrelatorWidget(labels=["Legend", "X", "Y"], types=["Text", "RadioButton", "RadioButton"], maxNRois=1, backend=backend) w.show() # fill some data import numpy import numpy.random import time t0 = time.time() x = numpy.arange(1000000.) w.addSelectableItem(x, "range(%d)" % x.size) print("elapsed = ", time.time() - t0) w.addSelectableItem(x * x, "range(%d) ** 2" % x.size) x = numpy.random.random(x.size) w.addSelectableItem(x, "random(%d)" % x.size) x = numpy.random.normal(500000., 1.0, 1000000) w.addSelectableItem(x, "Gauss 0") x = numpy.random.normal(500000., 1.0, 1000000) w.addSelectableItem(x, "Gauss 1") w.setPolygonSelectionMode() def theSlot(ddict): print(ddict['event']) w.sigMaskScatterWidgetSignal.connect(theSlot) app.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/plotting/ColormapDialog.py0000644000276300001750000005032213136054446022615 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2015 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys from PyMca5.PyMcaGui import PyMcaQt as qt from . import PlotWidget QTVERSION = qt.qVersion() DEBUG = 0 class MyQLineEdit(qt.QLineEdit): def __init__(self,parent=None,name=""): qt.QLineEdit.__init__(self,parent) def focusInEvent(self,event): self.setPaletteBackgroundColor(qt.QColor('yellow')) def focusOutEvent(self,event): self.setPaletteBackgroundColor(qt.QColor('white')) self.returnPressed[()].emit() def setPaletteBackgroundColor(self, color): if DEBUG: print("setPalettebackgroundColor not implemented yet") pass """ Manage colormap Widget class """ class ColormapDialog(qt.QDialog): sigColormapChanged = qt.pyqtSignal(object) def __init__(self, parent=None, name="Colormap Dialog"): qt.QDialog.__init__(self, parent) self.setWindowTitle(name) self.title = name self.colormapList = ["Greyscale", "Reverse Grey", "Temperature", "Red", "Green", "Blue", "Many"] # histogramData is tupel(bins, counts) self.histogramData = None # default values self.dataMin = -10 self.dataMax = 10 self.minValue = 0 self.maxValue = 1 self.colormapIndex = 2 self.colormapType = 0 self.autoscale = False self.autoscale90 = False # main layout vlayout = qt.QVBoxLayout(self) vlayout.setContentsMargins(10, 10, 10, 10) vlayout.setSpacing(0) # layout 1 : -combo to choose colormap # -autoscale button # -autoscale 90% button hbox1 = qt.QWidget(self) hlayout1 = qt.QHBoxLayout(hbox1) vlayout.addWidget(hbox1) hlayout1.setContentsMargins(0, 0, 0, 0) hlayout1.setSpacing(10) # combo self.combo = qt.QComboBox(hbox1) for colormap in self.colormapList: self.combo.addItem(colormap) self.combo.activated[int].connect(self.colormapChange) hlayout1.addWidget(self.combo) # autoscale self.autoScaleButton = qt.QPushButton("Autoscale", hbox1) self.autoScaleButton.setCheckable(True) self.autoScaleButton.setAutoDefault(False) self.autoScaleButton.toggled[bool].connect(self.autoscaleChange) hlayout1.addWidget(self.autoScaleButton) # autoscale 90% self.autoScale90Button = qt.QPushButton("Autoscale 90%", hbox1) self.autoScale90Button.setCheckable(True) self.autoScale90Button.setAutoDefault(False) self.autoScale90Button.toggled[bool].connect(self.autoscale90Change) hlayout1.addWidget(self.autoScale90Button) # hlayout hbox0 = qt.QWidget(self) self.__hbox0 = hbox0 hlayout0 = qt.QHBoxLayout(hbox0) hlayout0.setContentsMargins(0, 0, 0, 0) hlayout0.setSpacing(0) vlayout.addWidget(hbox0) #hlayout0.addStretch(10) self.buttonGroup = qt.QButtonGroup() g1 = qt.QCheckBox(hbox0) g1.setText("Linear") g2 = qt.QCheckBox(hbox0) g2.setText("Logarithmic") g3 = qt.QCheckBox(hbox0) g3.setText("Gamma") self.buttonGroup.addButton(g1, 0) self.buttonGroup.addButton(g2, 1) self.buttonGroup.addButton(g3, 2) self.buttonGroup.setExclusive(True) if self.colormapType == 1: self.buttonGroup.button(1).setChecked(True) elif self.colormapType == 2: self.buttonGroup.button(2).setChecked(True) else: self.buttonGroup.button(0).setChecked(True) hlayout0.addWidget(g1) hlayout0.addWidget(g2) hlayout0.addWidget(g3) vlayout.addWidget(hbox0) self.buttonGroup.buttonClicked[int].connect(self.buttonGroupChange) vlayout.addSpacing(20) hboxlimits = qt.QWidget(self) hboxlimitslayout = qt.QHBoxLayout(hboxlimits) hboxlimitslayout.setContentsMargins(0, 0, 0, 0) hboxlimitslayout.setSpacing(0) self.slider = None vlayout.addWidget(hboxlimits) vboxlimits = qt.QWidget(hboxlimits) vboxlimitslayout = qt.QVBoxLayout(vboxlimits) vboxlimitslayout.setContentsMargins(0, 0, 0, 0) vboxlimitslayout.setSpacing(0) hboxlimitslayout.addWidget(vboxlimits) # hlayout 2 : - min label # - min texte hbox2 = qt.QWidget(vboxlimits) self.__hbox2 = hbox2 hlayout2 = qt.QHBoxLayout(hbox2) hlayout2.setContentsMargins(0, 0, 0, 0) hlayout2.setSpacing(0) #vlayout.addWidget(hbox2) vboxlimitslayout.addWidget(hbox2) hlayout2.addStretch(10) self.minLabel = qt.QLabel(hbox2) self.minLabel.setText("Minimum") hlayout2.addWidget(self.minLabel) hlayout2.addSpacing(5) hlayout2.addStretch(1) self.minText = MyQLineEdit(hbox2) self.minText.setFixedWidth(150) self.minText.setAlignment(qt.Qt.AlignRight) self.minText.returnPressed[()].connect(self.minTextChanged) hlayout2.addWidget(self.minText) # hlayout 3 : - min label # - min text hbox3 = qt.QWidget(vboxlimits) self.__hbox3 = hbox3 hlayout3 = qt.QHBoxLayout(hbox3) hlayout3.setContentsMargins(0, 0, 0, 0) hlayout3.setSpacing(0) #vlayout.addWidget(hbox3) vboxlimitslayout.addWidget(hbox3) hlayout3.addStretch(10) self.maxLabel = qt.QLabel(hbox3) self.maxLabel.setText("Maximum") hlayout3.addWidget(self.maxLabel) hlayout3.addSpacing(5) hlayout3.addStretch(1) self.maxText = MyQLineEdit(hbox3) self.maxText.setFixedWidth(150) self.maxText.setAlignment(qt.Qt.AlignRight) self.maxText.returnPressed[()].connect(self.maxTextChanged) hlayout3.addWidget(self.maxText) # Graph widget for color curve... self.c = PlotWidget.PlotWidget(self, backend=None) self.c.setGraphXLabel("Data Values") self.c.setZoomModeEnabled(False) self.marge = (abs(self.dataMax) + abs(self.dataMin)) / 6.0 self.minmd = self.dataMin - self.marge self.maxpd = self.dataMax + self.marge self.c.setGraphXLimits(self.minmd, self.maxpd) self.c.setGraphYLimits(-11.5, 11.5) x = [self.minmd, self.dataMin, self.dataMax, self.maxpd] y = [-10, -10, 10, 10 ] self.c.addCurve(x, y, legend="ConstrainedCurve", color='black', symbol='o', linestyle='-') self.markers = [] self.__x = x self.__y = y labelList = ["","Min", "Max", ""] for i in range(4): if i in [1, 2]: draggable = True color = "blue" else: draggable = False color = "black" #TODO symbol legend = "%d" % i self.c.insertXMarker(x[i], legend=legend, text=labelList[i], draggable=draggable, color=color) self.markers.append((legend, "")) self.c.setMinimumSize(qt.QSize(250,200)) vlayout.addWidget(self.c) self.c.sigPlotSignal.connect(self.chval) # colormap window can not be resized self.setFixedSize(vlayout.minimumSize()) def plotHistogram(self, data=None): if data is not None: self.histogramData = data if self.histogramData is None: return False bins, counts = self.histogramData self.c.addCurve(bins, counts, "Histogram", color='pink', # TODO: Change fill color symbol='s', linestyle='-', # Line style #fill=True, yaxis='right') # TODO: Do not use info! def _update(self): if DEBUG: print("colormap _update called") self.marge = (abs(self.dataMax) + abs(self.dataMin)) / 6.0 self.minmd = self.dataMin - self.marge self.maxpd = self.dataMax + self.marge self.c.setGraphXLimits(self.minmd, self.maxpd) self.c.setGraphYLimits( -11.5, 11.5) self.__x = [self.minmd, self.dataMin, self.dataMax, self.maxpd] self.__y = [-10, -10, 10, 10] self.c.addCurve(self.__x, self.__y, legend="ConstrainedCurve", color='black', symbol='o', linestyle='-') self.c.clearMarkers() for i in range(4): if i in [1, 2]: draggable = True color = "blue" else: draggable = False color = "black" key = self.markers[i][0] label = self.markers[i][1] self.c.insertXMarker(self.__x[i], legend=key, text=label, draggable=draggable, color=color) self.c.replot() self.sendColormap() def buttonGroupChange(self, val): if DEBUG: print("buttonGroup asking to update colormap") self.setColormapType(val, update=True) self._update() def setColormapType(self, val, update=False): self.colormapType = val if self.colormapType == 1: self.buttonGroup.button(1).setChecked(True) elif self.colormapType == 2: self.buttonGroup.button(2).setChecked(True) else: self.colormapType = 0 self.buttonGroup.button(0).setChecked(True) if update: self._update() def chval(self, ddict): if DEBUG: print("Received ", ddict) if ddict['event'] == 'markerMoving': diam = int(ddict['label']) x = ddict['x'] if diam == 1: self.setDisplayedMinValue(x) elif diam == 2: self.setDisplayedMaxValue(x) elif ddict['event'] == 'markerMoved': diam = int(ddict['label']) x = ddict['x'] if diam == 1: self.setMinValue(x) if diam == 2: self.setMaxValue(x) """ Colormap """ def setColormap(self, colormap): self.colormapIndex = colormap if QTVERSION < '4.0.0': self.combo.setCurrentItem(colormap) else: self.combo.setCurrentIndex(colormap) def colormapChange(self, colormap): self.colormapIndex = colormap self.sendColormap() # AUTOSCALE """ Autoscale """ def autoscaleChange(self, val): self.autoscale = val self.setAutoscale(val) self.sendColormap() def setAutoscale(self, val): if DEBUG: print("setAutoscale called", val) if val: self.autoScaleButton.setChecked(True) self.autoScale90Button.setChecked(False) #self.autoScale90Button.setDown(False) self.setMinValue(self.dataMin) self.setMaxValue(self.dataMax) self.maxText.setEnabled(0) self.minText.setEnabled(0) self.c.setEnabled(0) #self.c.disablemarkermode() else: self.autoScaleButton.setChecked(False) self.autoScale90Button.setChecked(False) self.minText.setEnabled(1) self.maxText.setEnabled(1) self.c.setEnabled(1) #self.c.enablemarkermode() """ set rangeValues to dataMin ; dataMax-10% """ def autoscale90Change(self, val): self.autoscale90 = val self.setAutoscale90(val) self.sendColormap() def setAutoscale90(self, val): if val: self.autoScaleButton.setChecked(False) self.setMinValue(self.dataMin) self.setMaxValue(self.dataMax - abs(self.dataMax/10)) self.minText.setEnabled(0) self.maxText.setEnabled(0) self.c.setEnabled(0) else: self.autoScale90Button.setChecked(False) self.minText.setEnabled(1) self.maxText.setEnabled(1) self.c.setEnabled(1) self.c.setFocus() # MINIMUM """ change min value and update colormap """ def setMinValue(self, val): v = float(str(val)) self.minValue = v self.minText.setText("%g" % v) self.__x[1] = v key = self.markers[1][0] label = self.markers[1][1] self.c.insertXMarker(v, legend=key, text=label, color="blue", draggable=True) self.c.addCurve(self.__x, self.__y, legend="ConstrainedCurve", color='black', symbol='o', linestyle='-') self.sendColormap() """ min value changed by text """ def minTextChanged(self): text = str(self.minText.text()) if not len(text): return val = float(text) self.setMinValue(val) if self.minText.hasFocus(): self.c.setFocus() """ change only the displayed min value """ def setDisplayedMinValue(self, val): val = float(val) self.minValue = val self.minText.setText("%g"%val) self.__x[1] = val key = self.markers[1][0] label = self.markers[1][1] self.c.insertXMarker(val, legend=key, text=label, color="blue", draggable=True) self.c.addCurve(self.__x, self.__y, legend="ConstrainedCurve", color='black', symbol='o', linestyle='-') # MAXIMUM """ change max value and update colormap """ def setMaxValue(self, val): v = float(str(val)) self.maxValue = v self.maxText.setText("%g"%v) self.__x[2] = v key = self.markers[2][0] label = self.markers[2][1] self.c.insertXMarker(v, legend=key, text=label, color="blue", draggable=True) self.c.addCurve(self.__x, self.__y, legend="ConstrainedCurve", color='black', symbol='o', linestyle='-') self.sendColormap() """ max value changed by text """ def maxTextChanged(self): text = str(self.maxText.text()) if not len(text):return val = float(text) self.setMaxValue(val) if self.maxText.hasFocus(): self.c.setFocus() """ change only the displayed max value """ def setDisplayedMaxValue(self, val): val = float(val) self.maxValue = val self.maxText.setText("%g"%val) self.__x[2] = val key = self.markers[2][0] label = self.markers[2][1] self.c.insertXMarker(val, legend=key, text=label, color="blue", draggable=True) self.c.addCurve(self.__x, self.__y, legend="ConstrainedCurve", color='black', symbol='o', linestyle='-') # DATA values """ set min/max value of data source """ def setDataMinMax(self, minVal, maxVal, update=True): if minVal is not None: vmin = float(str(minVal)) self.dataMin = vmin if maxVal is not None: vmax = float(str(maxVal)) self.dataMax = vmax if update: # are current values in the good range ? self._update() def getColormap(self): if self.minValue > self.maxValue: vmax = self.minValue vmin = self.maxValue else: vmax = self.maxValue vmin = self.minValue cmap = [self.colormapIndex, self.autoscale, vmin, vmax, self.dataMin, self.dataMax, self.colormapType] return cmap """ send 'ColormapChanged' signal """ def sendColormap(self): if DEBUG: print("sending colormap") try: cmap = self.getColormap() self.sigColormapChanged.emit(cmap) except: sys.excepthook(sys.exc_info()[0], sys.exc_info()[1], sys.exc_info()[2]) # Conversion of colormap descriptions ######################################### # Convert colormap between PlotBackend names and ColormapDialog index # Tuple of PlotBackend names in the order of colormapDialog _COLORMAP_NAMES = ('gray', 'reversed gray', 'temperature', 'red', 'green', 'blue', 'temperature') def colormapListToDict(colormapList): """Convert colormap from this dialog to :class:`PlotBackend`. :param colormapList: Colormap as returned by :meth:`getColormap`. :type colormapList: list or tuple :return: Colormap as used in :class:`PlotBackend`. :rtype: dict """ index, autoscale, vMin, vMax, dataMin, dataMax, cmapType = colormapList # Warning, gamma cmapType is not supported in plot backend # Here it is silently replaced by linear as the default colormap return { 'name': _COLORMAP_NAMES[index], 'autoscale': autoscale, 'vmin': vMin, 'vmax': vMax, 'normalization': 'log' if cmapType == 1 else 'linear', 'colors': 256 } def colormapDictToList(colormapDict): """Convert colormap from :class:`PlotBackend` to this dialog. :param dict colormapDict: Colormap as used in :class:`PlotBackend`. :return: Colormap as returned by :meth:`getColormap`. :rtype: list """ cmapIndex = _COLORMAP_NAMES.index(colormapDict['name']) cmapType = 1 if colormapDict['normalization'].startswith('log') else 0 return [cmapIndex, colormapDict['autoscale'], colormapDict['vmin'], colormapDict['vmax'], 0, # dataMin is not defined in PlotBackend colormap 0, # dataMax is not defined in PlotBackend colormap cmapType] ############################################################################### def test(): app = qt.QApplication(sys.argv) app.lastWindowClosed.connect(app.quit) demo = ColormapDialog() # Histogram demo import numpy as np x = np.linspace(-10, 10, 50) y = abs(9. * np.exp(-x**2) + np.random.randn(len(x)) + 1.) demo.plotHistogram((x,y)) def call(*var): print("Received", var) demo.sigColormapChanged.connect(call) demo.setAutoscale(1) demo.show() app.exec_() if __name__ == "__main__": test() PyMca5-5.2.2/PyMca5/PyMcaGui/plotting/ImageView.py0000644000276300001750000011623013136054446021577 0ustar solebliss00000000000000# /*######################################################################### # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2016 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # # ###########################################################################*/ __author__ = "T. Vincent - ESRF Data Analysis" __contact__ = "thomas.vincent@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" __doc__ = """ QWidget displaying a 2D image with histograms on its sides. The :class:`ImageView` implements this widget, and :class:`ImageViewMainWindow` provides a main window with additional toolbar and status bar. Basic usage of :class:`ImageView` is through the following methods: - :meth:`ImageView.getColormap`, :meth:`ImageView.setColormap` to update the default colormap to use and update the currently displayed image. - :meth:`ImageView.setImage` to update the displayed image. The :class:`ImageView` uses :class:`PlotWindow` and also exposes :class:`PyMca5.PyMcaGraph.Plot` API for further control (plot title, axes labels, adding other images, ...). For an example of use, see the implementation of :class:`ImageViewMainWindow`. The ImageView module can also be used to open an EDF or TIFF file from the shell command line. To view an image file: ``python -m PyMca5.PyMcaGui.plotting.ImageView `` To get help: ``python -m PyMca5.PyMcaGui.plotting.ImageView -h`` """ # import ###################################################################### import numpy as np try: from .. import PyMcaQt as qt except ImportError: from PyMca5.PyMcaGui import PyMcaQt as qt from .PlotWindow import PlotWindow from .Toolbars import ProfileToolBar, LimitsToolBar from PyMca5.PyMcaGraph import Plot # utils ####################################################################### _COLORMAP_CURSOR_COLORS = { 'gray': 'pink', 'reversed gray': 'pink', 'temperature': 'black', 'red': 'gray', 'green': 'gray', 'blue': 'gray'} def _cursorColorForColormap(colormapName): """Get a color suitable for overlay over a colormap. :param str colormapName: The name of the colormap. :return: Name of the color. :rtype: str """ return _COLORMAP_CURSOR_COLORS.get(colormapName, 'black') # RadarView ################################################################### class RadarView(qt.QGraphicsView): """Widget presenting a synthetic view of a 2D area and the current visible area. Coordinates are as in QGraphicsView: x goes from left to right and y goes from top to bottom. This widget preserves the aspect ratio of the areas. The 2D area and the visible area can be set with :meth:`setDataRect` and :meth:`setVisibleRect`. When the visible area has been dragged by the user, its new position is signaled by the *visibleRectDragged* signal. It is possible to invert the direction of the axes by using the :meth:`scale` method of QGraphicsView. """ visibleRectDragged = qt.pyqtSignal(float, float, float, float) """Signals that the visible rectangle has been dragged. It provides: left, top, width, height in data coordinates. """ _DATA_PEN = qt.QPen(qt.QColor('white')) _DATA_BRUSH = qt.QBrush(qt.QColor('light gray')) _VISIBLE_PEN = qt.QPen(qt.QColor('red')) _VISIBLE_BRUSH = qt.QBrush(qt.QColor(0, 0, 0, 0)) _TOOLTIP = 'Radar View:\nVisible area (in red)\nof the image (in gray).' _PIXMAP_SIZE = 256 class _DraggableRectItem(qt.QGraphicsRectItem): """RectItem which signals its change through visibleRectDragged.""" def __init__(self, *args, **kwargs): super(RadarView._DraggableRectItem, self).__init__(*args, **kwargs) self.setFlag(qt.QGraphicsItem.ItemIsMovable) self.setFlag(qt.QGraphicsItem.ItemSendsGeometryChanges) self._ignoreChange = False self._constraint = 0, 0, 0, 0 def setConstraintRect(self, left, top, width, height): """Set the constraint rectangle for dragging. The coordinates are in the _DraggableRectItem coordinate system. This constraint only applies to modification through interaction (i.e., this constraint is not applied to change through API). If the _DraggableRectItem is smaller than the constraint rectangle, the _DraggableRectItem remains within the constraint rectangle. If the _DraggableRectItem is wider than the constraint rectangle, the constraint rectangle remains within the _DraggableRectItem. """ self._constraint = left, left + width, top, top + height def setPos(self, *args, **kwargs): """Overridden to ignore changes from API in itemChange.""" self._ignoreChange = True super(RadarView._DraggableRectItem, self).setPos(*args, **kwargs) self._ignoreChange = False def moveBy(self, *args, **kwargs): """Overridden to ignore changes from API in itemChange.""" self._ignoreChange = True super(RadarView._DraggableRectItem, self).moveBy(*args, **kwargs) self._ignoreChange = False def itemChange(self, change, value): """Callback called before applying changes to the item.""" if (change == qt.QGraphicsItem.ItemPositionChange and not self._ignoreChange): # Makes sure that the visible area is in the data # or that data is in the visible area if area is too wide x, y = value.x(), value.y() xMin, xMax, yMin, yMax = self._constraint if self.rect().width() <= (xMax - xMin): if x < xMin: value.setX(xMin) elif x > xMax - self.rect().width(): value.setX(xMax - self.rect().width()) else: if x > xMin: value.setX(xMin) elif x < xMax - self.rect().width(): value.setX(xMax - self.rect().width()) if self.rect().height() <= (yMax - yMin): if y < yMin: value.setY(yMin) elif y > yMax - self.rect().height(): value.setY(yMax - self.rect().height()) else: if y > yMin: value.setY(yMin) elif y < yMax - self.rect().height(): value.setY(yMax - self.rect().height()) if self.pos() != value: # Notify change through signal views = self.scene().views() assert len(views) == 1 views[0].visibleRectDragged.emit( value.x() + self.rect().left(), value.y() + self.rect().top(), self.rect().width(), self.rect().height()) return value return super(RadarView._DraggableRectItem, self).itemChange( change, value) def __init__(self, parent=None): self._scene = qt.QGraphicsScene() self._dataRect = self._scene.addRect(0, 0, 1, 1, self._DATA_PEN, self._DATA_BRUSH) self._visibleRect = self._DraggableRectItem(0, 0, 1, 1) self._visibleRect.setPen(self._VISIBLE_PEN) self._visibleRect.setBrush(self._VISIBLE_BRUSH) self._scene.addItem(self._visibleRect) super(RadarView, self).__init__(self._scene, parent) self.setHorizontalScrollBarPolicy(qt.Qt.ScrollBarAlwaysOff) self.setVerticalScrollBarPolicy(qt.Qt.ScrollBarAlwaysOff) self.setFocusPolicy(qt.Qt.NoFocus) self.setStyleSheet('border: 0px') self.setToolTip(self._TOOLTIP) def sizeHint(self): # """Overridden to avoid sizeHint to depend on content size.""" return self.minimumSizeHint() def wheelEvent(self, event): # """Overridden to disable vertical scrolling with wheel.""" event.ignore() def resizeEvent(self, event): # """Overridden to fit current content to new size.""" self.fitInView(self._scene.itemsBoundingRect(), qt.Qt.KeepAspectRatio) super(RadarView, self).resizeEvent(event) def setDataRect(self, left, top, width, height): """Set the bounds of the data rectangular area. This sets the coordinate system. """ self._dataRect.setRect(left, top, width, height) self._visibleRect.setConstraintRect(left, top, width, height) self.fitInView(self._scene.itemsBoundingRect(), qt.Qt.KeepAspectRatio) def setVisibleRect(self, left, top, width, height): """Set the visible rectangular area. The coordinates are relative to the data rect. """ self._visibleRect.setRect(0, 0, width, height) self._visibleRect.setPos(left, top) self.fitInView(self._scene.itemsBoundingRect(), qt.Qt.KeepAspectRatio) # ImageView ################################################################### class ImageView(qt.QWidget): """Display a single image with horizontal and vertical histograms. Use :meth:`setImage` to control the displayed image. This class also provides the :class:`PyMca5.PyMcaGraph.Plot` API. """ HISTOGRAMS_COLOR = 'blue' """Color to use for the side histograms.""" HISTOGRAMS_HEIGHT = 200 """Height in pixels of the side histograms.""" IMAGE_MIN_SIZE = 200 """Minimum size in pixels of the image area.""" # Qt signals valueChanged = qt.pyqtSignal(float, float, float) """Signals that the data value under the cursor has changed. It provides: row, column, data value. When the cursor is over an histogram, either row or column is Nan and the provided data value is the histogram value (i.e., the sum along the corresponding row/column). Row and columns are either Nan or integer values. """ def __init__(self, parent=None, windowFlags=qt.Qt.Widget, backend=None): self._imageLegend = '__ImageView__image' + str(id(self)) self._cache = None # Store currently visible data information self._updatingLimits = False super(ImageView, self).__init__(parent, windowFlags) self.setStyleSheet('background-color: white;') self._initWidgets(backend) # Sync PlotBackend and ImageView self._updateYAxisInverted() # Set-up focus proxy to handle arrow key event self.setFocusProxy(self._imagePlot) def _initWidgets(self, backend): """Set-up layout and plots.""" # Monkey-patch for histogram size # alternative: create a layout that does not use widget size hints def sizeHint(): return qt.QSize(self.HISTOGRAMS_HEIGHT, self.HISTOGRAMS_HEIGHT) self._histoHPlot = Plot.Plot(backend=backend) self._histoHPlot.setZoomModeEnabled(True) self._histoHPlot.setCallback(self._histoHPlotCB) self._histoHPlot.getWidgetHandle().sizeHint = sizeHint self._histoHPlot.getWidgetHandle().minimumSizeHint = sizeHint self._imagePlot = PlotWindow(backend=backend, plugins=False, colormap=True, flip=True, grid=False, togglePoints=False, logx=False, logy=False, aspect=True) self._imagePlot.usePlotBackendColormap = True self._imagePlot.setPanWithArrowKeys(True) self._imagePlot.setZoomModeEnabled(True) # Color is set in setColormap self._imagePlot.sigPlotSignal.connect(self._imagePlotCB) self._imagePlot.hFlipToolButton.clicked.connect( self._updateYAxisInverted) self._imagePlot.sigColormapChangedSignal.connect(self.setColormap) self._histoVPlot = Plot.Plot(backend=backend) self._histoVPlot.setZoomModeEnabled(True) self._histoVPlot.setCallback(self._histoVPlotCB) self._histoVPlot.getWidgetHandle().sizeHint = sizeHint self._histoVPlot.getWidgetHandle().minimumSizeHint = sizeHint self._radarView = RadarView() self._radarView.visibleRectDragged.connect(self._radarViewCB) self._layout = qt.QGridLayout() self._layout.addWidget(self._imagePlot, 0, 0) self._layout.addWidget(self._histoVPlot.getWidgetHandle(), 0, 1) self._layout.addWidget(self._histoHPlot.getWidgetHandle(), 1, 0) self._layout.addWidget(self._radarView, 1, 1) self._layout.setColumnMinimumWidth(0, self.IMAGE_MIN_SIZE) self._layout.setColumnStretch(0, 1) self._layout.setColumnMinimumWidth(1, self.HISTOGRAMS_HEIGHT) self._layout.setColumnStretch(1, 0) self._layout.setRowMinimumHeight(0, self.IMAGE_MIN_SIZE) self._layout.setRowStretch(0, 1) self._layout.setRowMinimumHeight(1, self.HISTOGRAMS_HEIGHT) self._layout.setRowStretch(1, 0) self._layout.setSpacing(0) self._layout.setContentsMargins(0, 0, 0, 0) self.setLayout(self._layout) def _dirtyCache(self): self._cache = None def _updateHistograms(self): """Update histograms content using current active image.""" activeImage = self._imagePlot.getActiveImage() if activeImage is not None: wasUpdatingLimits = self._updatingLimits self._updatingLimits = True data, legend, info, pixmap = activeImage xScale, yScale = info['plot_xScale'], info['plot_yScale'] height, width = data.shape xMin, xMax = self._imagePlot.getGraphXLimits() yMin, yMax = self._imagePlot.getGraphYLimits() # Convert plot area limits to image coordinates # and work in image coordinates (i.e., in pixels) xMin = int((xMin - xScale[0]) / xScale[1]) xMax = int((xMax - xScale[0]) / xScale[1]) yMin = int((yMin - yScale[0]) / yScale[1]) yMax = int((yMax - yScale[0]) / yScale[1]) if (xMin < width and xMax >= 0 and yMin < height and yMax >= 0): # The image is at least partly in the plot area # Get the visible bounds in image coords (i.e., in pixels) subsetXMin = 0 if xMin < 0 else xMin subsetXMax = (width if xMax >= width else xMax) + 1 subsetYMin = 0 if yMin < 0 else yMin subsetYMax = (height if yMax >= height else yMax) + 1 if (self._cache is None or subsetXMin != self._cache['dataXMin'] or subsetXMax != self._cache['dataXMax'] or subsetYMin != self._cache['dataYMin'] or subsetYMax != self._cache['dataYMax']): # The visible area of data has changed, update histograms # Rebuild histograms for visible area visibleData = data[subsetYMin:subsetYMax, subsetXMin:subsetXMax] histoHVisibleData = np.sum(visibleData, axis=0) histoVVisibleData = np.sum(visibleData, axis=1) self._cache = { 'dataXMin': subsetXMin, 'dataXMax': subsetXMax, 'dataYMin': subsetYMin, 'dataYMax': subsetYMax, 'histoH': histoHVisibleData, 'histoHMin': np.min(histoHVisibleData), 'histoHMax': np.max(histoHVisibleData), 'histoV': histoVVisibleData, 'histoVMin': np.min(histoVVisibleData), 'histoVMax': np.max(histoVVisibleData) } # Convert to histogram curve and update plots # Taking into account origin and scale coords = np.arange(2 * histoHVisibleData.size) xCoords = (coords + 1) // 2 + subsetXMin xCoords = xScale[0] + xScale[1] * xCoords xData = np.take(histoHVisibleData, coords // 2) self._histoHPlot.addCurve(xCoords, xData, xlabel='', ylabel='', replace=False, replot=False, color=self.HISTOGRAMS_COLOR, linestyle='-', selectable=False) vMin = self._cache['histoHMin'] vMax = self._cache['histoHMax'] vOffset = 0.1 * (vMax - vMin) if vOffset == 0.: vOffset = 1. self._histoHPlot.setGraphYLimits(vMin - vOffset, vMax + vOffset) coords = np.arange(2 * histoVVisibleData.size) yCoords = (coords + 1) // 2 + subsetYMin yCoords = yScale[0] + yScale[1] * yCoords yData = np.take(histoVVisibleData, coords // 2) self._histoVPlot.addCurve(yData, yCoords, xlabel='', ylabel='', replace=False, replot=False, color=self.HISTOGRAMS_COLOR, linestyle='-', selectable=False) vMin = self._cache['histoVMin'] vMax = self._cache['histoVMax'] vOffset = 0.1 * (vMax - vMin) if vOffset == 0.: vOffset = 1. self._histoVPlot.setGraphXLimits(vMin - vOffset, vMax + vOffset) else: self._dirtyCache() self._histoHPlot.clearCurves() self._histoVPlot.clearCurves() self._updatingLimits = wasUpdatingLimits def _updateRadarView(self): """Update radar view visible area. Takes care of y coordinate conversion. """ xMin, xMax = self._imagePlot.getGraphXLimits() yMin, yMax = self._imagePlot.getGraphYLimits() self._radarView.setVisibleRect(xMin, yMin, xMax - xMin, yMax - yMin) # Plots event listeners def _imagePlotCB(self, eventDict): """Callback for imageView plot events.""" if eventDict['event'] == 'mouseMoved': activeImage = self._imagePlot.getActiveImage() if activeImage is not None: data = activeImage[0] height, width = data.shape x, y = int(eventDict['x']), int(eventDict['y']) if x >= 0 and x < width and y >= 0 and y < height: self.valueChanged.emit(float(x), float(y), data[y][x]) elif eventDict['event'] == 'limitsChanged': # Do not handle histograms limitsChanged while # updating their limits from here. self._updatingLimits = True # Refresh histograms self._updateHistograms() # could use eventDict['xdata'], eventDict['ydata'] instead xMin, xMax = self._imagePlot.getGraphXLimits() yMin, yMax = self._imagePlot.getGraphYLimits() # Set horizontal histo limits self._histoHPlot.setGraphXLimits(xMin, xMax) self._histoHPlot.replot() # Set vertical histo limits self._histoVPlot.setGraphYLimits(yMin, yMax) self._histoVPlot.replot() self._updateRadarView() self._updatingLimits = False # Replot in case limitsChanged due to set*Limits # called from console. # This results in an extra replot call in other cases. self._imagePlot.replot() def _histoHPlotCB(self, eventDict): """Callback for horizontal histogram plot events.""" if eventDict['event'] == 'mouseMoved': if self._cache is not None: activeImage = self._imagePlot.getActiveImage() if activeImage is not None: xOrigin, xScaleFactor = activeImage[2]['plot_xScale'] minValue = xOrigin + xScaleFactor * self._cache['dataXMin'] data = self._cache['histoH'] width = data.shape[0] x = int(eventDict['x']) if x >= minValue and x < minValue + width: self.valueChanged.emit(float('nan'), float(x), data[x - minValue]) elif eventDict['event'] == 'limitsChanged': if (not self._updatingLimits and eventDict['xdata'] != self._imagePlot.getGraphXLimits()): xMin, xMax = eventDict['xdata'] self._imagePlot.setGraphXLimits(xMin, xMax) self._imagePlot.replot() def _histoVPlotCB(self, eventDict): """Callback for vertical histogram plot events.""" if eventDict['event'] == 'mouseMoved': if self._cache is not None: activeImage = self._imagePlot.getActiveImage() if activeImage is not None: yOrigin, yScaleFactor = activeImage[2]['plot_yScale'] minValue = yOrigin + yScaleFactor * self._cache['dataYMin'] data = self._cache['histoV'] height = data.shape[0] y = int(eventDict['y']) if y >= minValue and y < minValue + height: self.valueChanged.emit(float(y), float('nan'), data[y - minValue]) elif eventDict['event'] == 'limitsChanged': if (not self._updatingLimits and eventDict['ydata'] != self._imagePlot.getGraphYLimits()): yMin, yMax = eventDict['ydata'] self._imagePlot.setGraphYLimits(yMin, yMax) self._imagePlot.replot() def _radarViewCB(self, left, top, width, height): """Slot for radar view visible rectangle changes.""" if not self._updatingLimits: # Takes care of Y axis conversion self._imagePlot.setLimits(left, left + width, top, top + height) self._imagePlot.replot() def _updateYAxisInverted(self): """Sync image, vertical histogram and radar view axis orientation.""" inverted = self._imagePlot.isYAxisInverted() self._imagePlot.invertYAxis(inverted) self._histoVPlot.invertYAxis(inverted) # Use scale to invert radarView # RadarView default Y direction is from top to bottom # As opposed to Plot. So invert RadarView when Plot is NOT inverted. self._radarView.resetTransform() if not inverted: self._radarView.scale(1., -1.) self._updateRadarView() self._imagePlot.replot() self._histoVPlot.replot() self._radarView.update() def getHistogram(self, axis): """Return the histogram and corresponding row or column extent. The returned value when an histogram is available is a dict with keys: - 'data': numpy array of the histogram values. - 'extent': (start, end) row or column index. end index is not included in the histogram. :param str axis: 'x' for horizontal, 'y' for vertical :return: The histogram and its extent as a dict or None. :rtype: dict """ assert axis in ('x', 'y') if self._cache is None: return None else: if axis == 'x': return dict( data=np.array(self._cache['histoH'], copy=True), extent=(self._cache['dataXMin'], self._cache['dataXMax'])) else: return dict( data=np.array(self._cache['histoV'], copy=True), extent=(self._cache['dataYMin'], self._cache['dataYMax'])) def radarView(self): """Get the lower right radarView widget.""" return self._radarView def setRadarView(self, radarView): """Change the lower right radarView widget. :param RadarView radarView: Widget subclassing RadarView to replace the lower right corner widget. """ self._radarView.visibleRectDragged.disconnect(self._radarViewCB) self._radarView = radarView self._radarView.visibleRectDragged.connect(self._radarViewCB) self._layout.addWidget(self._radarView, 1, 1) self._updateYAxisInverted() # PlotWindow toolbar def toolBar(self): """Returns the tool bar associated with the image plot. This is the toolBar provided by :class:`PlotWindow`. :return: The toolBar associated to the image plot. :rtype: QToolBar """ return self._imagePlot.toolBar # High-level API def getColormap(self): """Get the default colormap description. :return: A description of the current colormap. See :meth:`setColormap` for details. :rtype: dict """ return self._imagePlot.getDefaultColormap() def setColormap(self, colormap=None, normalization=None, autoscale=None, vmin=None, vmax=None, colors=256): """Set the default colormap and update active image. Parameters that are not provided are taken from the current colormap. The colormap parameter can also be a dict with the following keys: - *name*: string. The colormap to use: 'gray', 'reversed gray', 'temperature', 'red', 'green', 'blue'. - *normalization*: string. The mapping to use for the colormap: either 'linear' or 'log'. - *autoscale*: bool. Whether to use autoscale (True) or range provided by keys 'vmin' and 'vmax' (False). - *vmin*: float. The minimum value of the range to use if 'autoscale' is False. - *vmax*: float. The maximum value of the range to use if 'autoscale' is False. :param colormap: Name of the colormap in 'gray', 'reversed gray', 'temperature', 'red', 'green', 'blue'. Or the description of the colormap as a dict. :type colormap: dict or str. :param str normalization: Colormap mapping: 'linear' or 'log'. :param bool autoscale: Whether to use autoscale (True) or [vmin, vmax] range (False). :param float vmin: The minimum value of the range to use if 'autoscale' is False. :param float vmax: The maximum value of the range to use if 'autoscale' is False. """ cmapDict = self._imagePlot.getDefaultColormap() if isinstance(colormap, dict): # Support colormap parameter as a dict assert normalization is None assert autoscale is None assert vmin is None assert vmax is None assert colors == 256 for key, value in colormap.items(): cmapDict[key] = value else: if colormap is not None: cmapDict['name'] = colormap if normalization is not None: cmapDict['normalization'] = normalization if autoscale is not None: cmapDict['autoscale'] = autoscale if vmin is not None: cmapDict['vmin'] = vmin if vmax is not None: cmapDict['vmax'] = vmax if 'colors' not in cmapDict: cmapDict['colors'] = 256 cursorColor = _cursorColorForColormap(cmapDict['name']) self._imagePlot.setZoomModeEnabled(True, color=cursorColor) self._imagePlot.setDefaultColormap(cmapDict) activeImage = self._imagePlot.getActiveImage() if activeImage is not None: # Refresh image with new colormap data, legend, info, pixmap = activeImage self._imagePlot.addImage(data, legend=legend, info=info, colormap=self.getColormap(), replace=False, replot=False) self._imagePlot.replot() def setImage(self, image, origin=(0, 0), scale=(1., 1.), copy=True, reset=True): """Set the image to display. :param image: A 2D array representing the image or None to empty plot. :type image: numpy.ndarray-like with 2 dimensions or None. :param origin: The (x, y) position of the origin of the image. Default: (0, 0). The origin is the lower left corner of the image when the Y axis is not inverted. :type origin: Tuple of 2 floats: (origin x, origin y). :param scale: The scale factor to apply to the image on X and Y axes. Default: (1, 1). It is the size of a pixel in the coordinates of the axes. Scales must be positive numbers. :type scale: Tuple of 2 floats: (scale x, scale y). :param bool copy: Whether to copy image data (default) or not. :param bool reset: Whether to reset zoom and ROI (default) or not. """ self._dirtyCache() assert len(origin) == 2 assert len(scale) == 2 assert scale[0] > 0 assert scale[1] > 0 if image is None: self._imagePlot.removeImage(self._imageLegend, replot=False) return data = np.array(image, order='C', copy=copy) assert data.size != 0 assert len(data.shape) == 2 height, width = data.shape self._imagePlot.addImage(data, legend=self._imageLegend, xScale=(origin[0], scale[0]), yScale=(origin[1], scale[1]), colormap=self.getColormap(), replace=False, replot=False) self._imagePlot.setActiveImage(self._imageLegend) self._updateHistograms() self._radarView.setDataRect(origin[0], origin[1], width * scale[0], height * scale[1]) if reset: self.resetZoom() else: self._histoHPlot.replot() self._histoVPlot.replot() self._imagePlot.replot() #################### # Plot API proxies # #################### # Rebuild side histograms if active image gets changed through the Plot API def addImage(self, data, legend=None, info=None, replace=True, replot=True, xScale=None, yScale=None, z=0, selectable=False, draggable=False, colormap=None, **kw): if legend == self._imagePlot.getActiveImage(just_legend=True): # Updating active image, resets side histograms cache self._dirtyCache() result = self._imagePlot.addImage(data, legend, info, replace, replot, xScale, yScale, z, selectable, draggable, colormap, **kw) self._updateHistograms() if replot: self._histoHPlot.replot() self._histoVPlot.replot() return result def clear(self): self._dirtyCache() return self._imagePlot.clear() def clearImages(self): self._dirtyCache() return self._imagePlot.clearImages() def removeImage(self, legend, replot=True): if legend == self._imagePlot.getActiveImage(just_legend=True): # Removing active image, resets side histograms cache self._dirtyCache() result = self._imageView.removeImage(legend, replot) self._updateHistograms() if replot: self._histoHPlot.replot() self._histoVPlot.replot() return result def setActiveImage(self, legend, replot=True): # Active image changes, resets side histogram cache self._dirtyCache() result = self._imagePlot.setActiveImage(legend, replot) self._updateHistograms() if replot: self._histoHPlot.replot() self._histoVPlot.replot() return result # Invert axes def invertYAxis(self, flag=True): result = self._imagePlot.invertYAxis(flag) self._updateYAxisInverted() # To sync vert. histo and radar view return result # Ugly yet simple proxy for the Plot API def __getattr__(self, name): """Proxy to expose image plot API.""" return getattr(self._imagePlot, name) # ImageViewMainWindow ######################################################### class ImageViewMainWindow(qt.QMainWindow): """QMainWindow embedding an ImageView. Surrounds the ImageView with an associated toolbar and status bar. """ def __init__(self, parent=None, windowFlags=qt.Qt.Widget, backend=None): self._dataInfo = None super(ImageViewMainWindow, self).__init__(parent, windowFlags) # Create the ImageView widget and add it to the QMainWindow self.imageView = ImageView(backend=backend) self.imageView.setGraphXLabel('X') self.imageView.setGraphYLabel('Y') self.imageView.setGraphTitle('Image') self.imageView._imagePlot.sigColormapChangedSignal.connect( self._colormapUpdated) self.setCentralWidget(self.imageView) # Using PlotWindow's toolbar self.addToolBar(self.imageView.toolBar()) self.profileToolBar = ProfileToolBar(self.imageView._imagePlot) self.addToolBar(self.profileToolBar) self.addToolBar(qt.Qt.BottomToolBarArea, LimitsToolBar(self.imageView)) self.statusBar() # Connect to ImageView's signal self.imageView.valueChanged.connect(self._statusBarSlot) def _colormapUpdated(self, colormap): """Sync ROI color with current colormap""" self.profileToolBar.overlayColor = _cursorColorForColormap( colormap['name']) def _statusBarSlot(self, row, column, value): """Update status bar with coordinates/value from plots.""" if np.isnan(row): msg = 'Column: %d, Sum: %g' % (int(column), value) elif np.isnan(column): msg = 'Row: %d, Sum: %g' % (int(row), value) else: msg = 'Position: (%d, %d), Value: %g' % (int(row), int(column), value) if self._dataInfo is not None: msg = self._dataInfo + ', ' + msg self.statusBar().showMessage(msg) def setImage(self, image, *args, **kwargs): """Set the displayed image. See :meth:`ImageView.setImage` for details. """ if hasattr(image, 'dtype') and hasattr(image, 'shape'): assert len(image.shape) == 2 height, width = image.shape self._dataInfo = 'Data: %dx%d (%s)' % (width, height, str(image.dtype)) self.statusBar().showMessage(self._dataInfo) else: self._dataInfo = None # Set the new image in ImageView widget self.imageView.setImage(image, *args, **kwargs) self.profileToolBar.updateProfile() self.setStatusBar(None) # main ######################################################################## if __name__ == "__main__": import argparse import os.path import sys from PyMca5.PyMcaIO.EdfFile import EdfFile # Command-line arguments parser = argparse.ArgumentParser( description='Browse the images of an EDF file.') parser.add_argument( '-b', '--backend', choices=('mpl', 'opengl', 'osmesa'), help="""The plot backend to use: Matplotlib (mpl, the default), OpenGL 2.1 (opengl, requires appropriate OpenGL drivers) or Off-screen Mesa OpenGL software pipeline (osmesa, requires appropriate OSMesa library).""") parser.add_argument( '-o', '--origin', nargs=2, type=float, default=(0., 0.), help="""Coordinates of the origin of the image: (x, y). Default: 0., 0.""") parser.add_argument( '-s', '--scale', nargs=2, type=float, default=(1., 1.), help="""Scale factors applied to the image: (sx, sy). Default: 1., 1.""") parser.add_argument('filename', help='EDF filename of the image to open') args = parser.parse_args() # Open the input file if not os.path.isfile(args.filename): raise RuntimeError('No input file: %s' % args.filename) edfFile = EdfFile(args.filename) nbFrames = edfFile.GetNumImages() if nbFrames == 0: raise RuntimeError( 'Cannot read image(s) from file: %s' % args.filename) # Set-up Qt application and main window app = qt.QApplication([]) mainWindow = ImageViewMainWindow(backend=args.backend) mainWindow.setImage(edfFile.GetData(0), origin=args.origin, scale=args.scale) if nbFrames > 1: # Add a toolbar for multi-frame EDF support multiFrameToolbar = qt.QToolBar('Multi-frame') multiFrameToolbar.addWidget(qt.QLabel( 'Frame [0-%d]:' % (nbFrames - 1))) spinBox = qt.QSpinBox() spinBox.setRange(0, nbFrames-1) def updateImage(index): mainWindow.setImage(edfFile.GetData(index), origin=args.origin, scale=args.scale, reset=False) spinBox.valueChanged[int].connect(updateImage) multiFrameToolbar.addWidget(spinBox) mainWindow.addToolBar(multiFrameToolbar) mainWindow.show() sys.exit(app.exec_()) PyMca5-5.2.2/PyMca5/PyMcaGui/plotting/MaskImageWidget.py0000644000276300001750000027350213136054446022732 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2016 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os import numpy from PyMca5.PyMcaGraph.ctools import pnpoly from . import RGBCorrelatorGraph from . import ColormapDialog qt = RGBCorrelatorGraph.qt IconDict = RGBCorrelatorGraph.IconDict convertToRowAndColumn = RGBCorrelatorGraph.convertToRowAndColumn QTVERSION = qt.qVersion() if hasattr(qt, "QString"): QString = qt.QString else: QString = qt.safe_str MATPLOTLIB = False try: from PyMca5.PyMcaGui.pymca import QPyMcaMatplotlibSave MATPLOTLIB = True except ImportError: MATPLOTLIB = False from PyMca5 import spslut from PyMca5.PyMcaCore import PyMcaDirs from PyMca5.PyMcaIO import ArraySave from . import ProfileScanWidget from PyMca5.PyMcaMath.fitting import SpecfitFuns COLORMAPLIST = [spslut.GREYSCALE, spslut.REVERSEGREY, spslut.TEMP, spslut.RED, spslut.GREEN, spslut.BLUE, spslut.MANY] OVERLAY_DRAW = True DEFAULT_COLORMAP_INDEX = 2 DEFAULT_COLORMAP_LOG_FLAG = False DEBUG = 0 USE_PICKER = False class MaskImageWidget(qt.QWidget): sigMaskImageWidgetSignal = qt.pyqtSignal(object) def __init__(self, parent = None, rgbwidget=None, backend=None, selection=True, colormap=False, imageicons=True, standalonesave=True, usetab=False, profileselection=False, scanwindow=None, aspect=False, polygon=None, maxNRois=1): qt.QWidget.__init__(self, parent) self.setWindowIcon(qt.QIcon(qt.QPixmap(IconDict['gioconda16']))) self.setWindowTitle("PyMca - Image Selection Tool") if 0: screenHeight = qt.QDesktopWidget().height() if screenHeight > 0: self.setMaximumHeight(int(0.99*screenHeight)) self.setMinimumHeight(int(0.5*screenHeight)) screenWidth = qt.QDesktopWidget().width() if screenWidth > 0: self.setMaximumWidth(int(screenWidth)-5) self.setMinimumWidth(min(int(0.5*screenWidth),800)) self._y1AxisInverted = False self.__selectionMask = None self._selectionColors = None self.__imageData = None self.__pixmap0 = None self.__pixmap = None self.__image = None self._xScale = None self._yScale = None self._backend = backend self.colormap = None self.colormapDialog = None self.setDefaultColormap(DEFAULT_COLORMAP_INDEX, DEFAULT_COLORMAP_LOG_FLAG) self.rgbWidget = rgbwidget self.__imageIconsFlag = imageicons if polygon is None: polygon = imageicons self.__selectionFlag = selection self.__useTab = usetab self.mainTab = None self.__aspect = aspect self._maxNRois = maxNRois self._nRoi = 1 self._build(standalonesave, profileselection=profileselection, polygon=polygon) self._profileSelectionWindow = None self._profileScanWindow = scanwindow self.__brushMenu = None self.__brushMode = False self.__eraseMode = False self.__connected = True self.__setBrush2() self.outputDir = None self._saveFilter = None self._buildConnections() self._matplotlibSaveImage = None # the last overlay legend used self.__lastOverlayLegend = None self.__lastOverlayWidth = None # the projection mode self.__lineProjectionMode = 'D' def _build(self, standalonesave, profileselection=False, polygon=False): self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(0) if self.__useTab: self.mainTab = qt.QTabWidget(self) #self.graphContainer =qt.QWidget() #self.graphContainer.mainLayout = qt.QVBoxLayout(self.graphContainer) #self.graphContainer.mainLayout.setContentsMargins(0, 0, 0, 0) #self.graphContainer.mainLayout.setSpacing(0) self.graphWidget = RGBCorrelatorGraph.RGBCorrelatorGraph(self, backend=self._backend, selection = self.__selectionFlag, colormap=True, imageicons=self.__imageIconsFlag, standalonesave=False, standalonezoom=False, aspect=self.__aspect, profileselection=profileselection, polygon=polygon) self.mainTab.addTab(self.graphWidget, 'IMAGES') else: self.graphWidget = RGBCorrelatorGraph.RGBCorrelatorGraph(self, backend=self._backend, selection =self.__selectionFlag, colormap=True, imageicons=self.__imageIconsFlag, standalonesave=False, standalonezoom=False, profileselection=profileselection, aspect=self.__aspect, polygon=polygon) if self._maxNRois > 1: # multiple ROI control self._buildMultipleRois() else: self._roiTags=[1] #for easy compatibility with RGBCorrelatorGraph self.graph = self.graphWidget.graph if profileselection: self.graphWidget.sigProfileSignal.connect(self._profileSignalSlot) if standalonesave: self.buildStandaloneSaveMenu() self.graphWidget.zoomResetToolButton.clicked.connect(self._zoomResetSignal) self.graphWidget.graph.setDrawModeEnabled(False) self.graphWidget.graph.setZoomModeEnabled(True) if self.__selectionFlag: if self.__imageIconsFlag: self.setSelectionMode(False) self._toggleSelectionMode() self.graphWidget.graph.setDrawModeEnabled(True, shape="rectangle", label="mask") else: self.setSelectionMode(True) self._toggleSelectionMode() if self.__useTab: self.mainLayout.addWidget(self.mainTab) else: self.mainLayout.addWidget(self.graphWidget) def buildStandaloneSaveMenu(self): self.graphWidget.saveToolButton.clicked.connect(self._saveToolButtonSignal) self._saveMenu = qt.QMenu() self._saveMenu.addAction(QString("Image Data"), self.saveImageList) self._saveMenu.addAction(QString("Colormap Clipped Seen Image Data"), self.saveClippedSeenImageList) self._saveMenu.addAction(QString("Clipped and Subtracted Seen Image Data"), self.saveClippedAndSubtractedSeenImageList) self._saveMenu.addAction(QString("Standard Graphics"), self.graphWidget._saveIconSignal) if MATPLOTLIB: self._saveMenu.addAction(QString("Matplotlib") , self._saveMatplotlibImage) def _buildMultipleRois(self): """ Multiple ROI control """ mytoolbar = self.graphWidget.toolBar self._nRoiLabel = qt.QLabel(mytoolbar) self._nRoiLabel.setText("Roi:") mytoolbar.layout().addWidget(self._nRoiLabel ) self._nRoiSelector = qt.QSpinBox(mytoolbar) self._nRoiSelector.setMinimum(1) self._nRoiSelector.setMaximum(self._maxNRois) mytoolbar.layout().addWidget(self._nRoiSelector) self._nRoiSelector.valueChanged[int].connect(self.setActiveRoiNumber) if 0: self._nRoiTagLabel = qt.QLabel(mytoolbar) self._nRoiTagLabel.setText("Tag:") mytoolbar.layout().addWidget(self._nRoiTagLabel) self._nRoiTag = qt.QSpinBox(mytoolbar) self._nRoiTag.setMinimum(1) self._nRoiTag.setMaximum(self._maxNRois) mytoolbar.layout().addWidget(self._nRoiTag) self._nRoiTag.valueChanged[int].connect(self.tagRoi) # initialize tags (ROI 1 , has tag 1, ROI 2 has tag 2, ...) self._roiTags = list(range(1, self._maxNRois + 1)) def _buildConnections(self, widget = None): self.graphWidget.hFlipToolButton.clicked.connect(self._hFlipIconSignal) self.graphWidget.colormapToolButton.clicked.connect(self.selectColormap) if self.__selectionFlag: self.graphWidget.selectionToolButton.clicked.connect(self._toggleSelectionMode) text = "Toggle between Selection\nand Zoom modes" self.graphWidget.selectionToolButton.setToolTip(text) if self.__imageIconsFlag: self.graphWidget.imageToolButton.clicked.connect(\ self.__resetSelection) self.graphWidget.eraseSelectionToolButton.clicked.connect(\ self._setEraseSelectionMode) self.graphWidget.rectSelectionToolButton.clicked.connect(\ self._setRectSelectionMode) self.graphWidget.brushSelectionToolButton.clicked.connect(\ self._setBrushSelectionMode) self.graphWidget.brushToolButton.clicked.connect(self._setBrush) if hasattr(self.graphWidget, "polygonSelectionToolButton"): self.graphWidget.polygonSelectionToolButton.clicked.connect(\ self._setPolygonSelectionMode) self.graphWidget.additionalSelectionToolButton.clicked.connect(\ self._additionalSelectionMenuDialog) self._additionalSelectionMenu = qt.QMenu() self._additionalSelectionMenu.addAction(QString("Reset Selection"), self.__resetSelection) self._additionalSelectionMenu.addAction(QString("Invert Selection"), self._invertSelection) self._additionalSelectionMenu.addAction(QString("I >= Colormap Max"), self._selectMax) self._additionalSelectionMenu.addAction(QString("Colormap Min < I < Colormap Max"), self._selectMiddle) self._additionalSelectionMenu.addAction(QString("I <= Colormap Min"), self._selectMin) self.graphWidget.graph.sigPlotSignal.connect(self._graphSignal) def setSelectionColors(self, selectionColors): """ selectionColors must be None or an array of shape (n, 4) of type numpy.uint8 """ if selectionColors is None: self._selectionColors = None return if selectionColors.shape[1] != 4: raise ValueError("Array of shape (maxNRois, 4) needed") if selectionColors.dtype != numpy.uint8: raise TypeError("Array of unsigned bytes needed") self._selectionColors = selectionColors def additionalSelectionMenu(self): return self._additionalSelectionMenu def updateProfileSelectionWindow(self): mode = self.graphWidget.getPickerSelectionMode() if self.__lastOverlayLegend is not None: if mode is None: # remove the overlay if present legend = self.__lastOverlayLegend self.graphWidget.graph.removeItem(legend) elif self.__lastOverlayWidth is not None: # create a fake signal ddict = {} ddict['event'] = "profileWidthChanged" ddict['pixelwidth'] = self.__lastOverlayWidth ddict['mode'] = mode self._profileSignalSlot(ddict) def _profileSignalSlot(self, ddict): if DEBUG: print("_profileSignalSLot, event = %s" % ddict['event']) print("Received ddict = ", ddict) if ddict['event'] in [None, "NONE"]: #Nothing to be made return if ddict['event'] == "profileWidthChanged": if self.__lastOverlayLegend is not None: legend = self.__lastOverlayLegend #TODO: Find a better way to deal with this if legend in self.graphWidget.graph._itemDict: info = self.graphWidget.graph._itemDict[legend]['info'] if info['mode'] == ddict['mode']: newDict = {} newDict['event'] = "updateProfile" newDict['xdata'] = info['xdata'] * 1 newDict['ydata'] = info['ydata'] * 1 newDict['mode'] = info['mode'] * 1 newDict['pixelwidth'] = ddict['pixelwidth'] * 1 info = None #self._updateProfileCurve(newDict) self._profileSignalSlot(newDict) return if self._profileSelectionWindow is None: if self._profileScanWindow is None: #identical to the standard scan window self._profileSelectionWindow = ProfileScanWidget.ProfileScanWidget(actions=False) else: self._profileSelectionWindow = ProfileScanWidget.ProfileScanWidget(actions=True) self._profileSelectionWindow.sigAddClicked.connect( \ self._profileSelectionSlot) self._profileSelectionWindow.sigRemoveClicked.connect( \ self._profileSelectionSlot) self._profileSelectionWindow.sigReplaceClicked.connect( self._profileSelectionSlot) self._interpolate = SpecfitFuns.interpol #if I do not return here and the user interacts with the graph while #the profileSelectionWindow is not shown, I get crashes under Qt 4.5.3 and MacOS X #when calling _getProfileCurve ############## TODO: show it here? self._profileSelectionWindow.show() return self._updateProfileCurve(ddict) def _updateProfileCurve(self, ddict): curve = self._getProfileCurve(ddict) if curve is None: return xdata, ydata, legend, info = curve replot=True replace=True idx = numpy.isfinite(ydata) xdata = xdata[idx] ydata = ydata[idx] self._profileSelectionWindow.addCurve(xdata, ydata, legend=legend, info=info, replot=replot, replace=replace) def getGraphTitle(self): try: title = self.graphWidget.graph.getGraphTitle() if sys.version < '3.0': title = qt.safe_str(title) except: title = "" return title def setGraphTitle(self, title=""): self.graphWidget.graph.setGraphTitle(title) def setLineProjectionMode(self, mode): """ Set the line projection mode. mode: 1 character string. Allowed options 'D', 'X' 'Y' D - Plot the intensity over the drawn line over as many intervals as pixels over the axis containing the longest projection in pixels. X - Plot the intensity over the drawn line over as many intervals as pixels over the X axis Y - Plot the intensity over the drawn line over as many intervals as pixels over the Y axis """ m = mode.upper() if m not in ['D', 'X', 'Y']: raise ValueError("Invalid mode %s. It has to be 'D', 'X' or 'Y'") self.__lineProjectionMode = m def getLineProjectionMode(self): return self.__lineProjectionMode def _getProfileCurve(self, ddict, image=None, overlay=OVERLAY_DRAW): if image is None: imageData = self.__imageData else: imageData = image if imageData is None: return None title = self.getGraphTitle() self._profileSelectionWindow.setGraphTitle(title) if self._profileScanWindow is not None: self._profileSelectionWindow.label.setText(title) #showing the profileSelectionWindow now can make the program crash if the workaround mentioned above #is not implemented self._profileSelectionWindow.show() #self._profileSelectionWindow.raise_() if ddict['event'] == 'profileModeChanged': if self.__lastOverlayLegend: self.graphWidget.graph.removeItem(self.__lastOverlayLegend, replot=True) return #if I show the image here it does not crash, but it is not nice because #the user would get the profileSelectionWindow under his mouse #self._profileSelectionWindow.show() if ('row' in ddict) and ('column' in ddict): # probably arriving after width changed pass else: r0, c0 = convertToRowAndColumn(ddict['xdata'][0], ddict['ydata'][0], self.__imageData.shape, xScale=self._xScale, yScale=self._yScale, safe=True) r1, c1 = convertToRowAndColumn(ddict['xdata'][1], ddict['ydata'][1], self.__imageData.shape, xScale=self._xScale, yScale=self._yScale, safe=True) ddict['row'] = [r0, r1] ddict['column'] = [c0, c1] shape = imageData.shape width = ddict['pixelwidth'] - 1 if ddict['mode'].upper() in ["HLINE", "HORIZONTAL"]: xLabel = self.getXLabel() deltaDistance = 1.0 if width < 1: row = int(ddict['row'][0]) if row < 0: row = 0 if row >= shape[0]: row = shape[0] - 1 ydata = imageData[row, :] legend = "Row = %d" % row if overlay: #self.drawOverlayItem(x, y, legend=name, info=info, replot, replace) self.drawOverlayItem([0.0, shape[1], shape[1], 0.0], [row, row, row+1, row+1], legend=ddict['mode'], info=ddict, replace=True, replot=True) else: row0 = int(int(ddict['row'][0]) - 0.5 * width) if row0 < 0: row0 = 0 row1 = row0 + width else: row1 = int(int(ddict['row'][0]) + 0.5 * width) if row1 >= shape[0]: row1 = shape[0] - 1 row0 = max(0, row1 - width) ydata = imageData[row0:row1+1, :].sum(axis=0) legend = "Row = %d to %d" % (row0, row1) if overlay: #self.drawOverlayItem(x, y, legend=name, info=info, replot, replace) self.drawOverlayItem([0.0, 0.0, shape[1], shape[1]], [row0, row1+1, row1+1, row0], legend=ddict['mode'], info=ddict, replace=True, replot=True) xdata = numpy.arange(shape[1]).astype(numpy.float) if self._xScale is not None: xdata = self._xScale[0] + xdata * self._xScale[1] elif ddict['mode'].upper() in ["VLINE", "VERTICAL"]: xLabel = self.getYLabel() deltaDistance = 1.0 if width < 1: column = int(ddict['column'][0]) if column < 0: column = 0 if column >= shape[1]: column = shape[1] - 1 ydata = imageData[:, column] legend = "Column = %d" % column if overlay: #self.drawOverlayItem(x, y, legend=name, info=info, replot, replace) self.drawOverlayItem([column, column, column+1, column+1], [0.0, shape[0], shape[0], 0.0], legend=ddict['mode'], info=ddict, replace=True, replot=True) else: col0 = int(int(ddict['column'][0]) - 0.5 * width) if col0 < 0: col0 = 0 col1 = col0 + width else: col1 = int(int(ddict['column'][0]) + 0.5 * width) if col1 >= shape[1]: col1 = shape[1] - 1 col0 = max(0, col1 - width) ydata = imageData[:, col0:col1+1].sum(axis=1) legend = "Col = %d to %d" % (col0, col1) if overlay: #self.drawOverlayItem(x, y, legend=name, info=info, replot, replace) self.drawOverlayItem([col0, col0, col1+1, col1+1], [0, shape[0], shape[0], 0.], legend=ddict['mode'], info=ddict, replace=True, replot=True) xdata = numpy.arange(shape[0]).astype(numpy.float) if self._yScale is not None: xdata = self._yScale[0] + xdata * self._yScale[1] elif ddict['mode'].upper() in ["LINE"]: if len(ddict['column']) == 1: #only one point given return #the coordinates of the reference points x0 = numpy.arange(float(shape[0])) y0 = numpy.arange(float(shape[1])) #get the interpolation points col0, col1 = [int(x) for x in ddict['column']] row0, row1 = [int(x) for x in ddict['row']] deltaCol = abs(col0 - col1) deltaRow = abs(row0 - row1) if self.__lineProjectionMode == 'X' or ( self.__lineProjectionMode == 'D' and deltaCol >= deltaRow): npoints = deltaCol + 1 if col1 < col0: # Invert start and end points row0, col0, row1, col1 = row1, col1, row0, col0 else: # mode == 'Y' or (mode == 'D' and deltaCol < deltaRow) npoints = deltaRow + 1 if row1 < row0: # Invert start and end points row0, col0, row1, col1 = row1, col1, row0, col0 if npoints == 1: #all points are the same if DEBUG: print("START AND END POINT ARE THE SAME!!") return if width < 0: # width = pixelwidth - 1 x = numpy.zeros((npoints, 2), numpy.float) x[:, 0] = numpy.linspace(row0, row1, npoints) x[:, 1] = numpy.linspace(col0, col1, npoints) legend = "From (%.3f, %.3f) to (%.3f, %.3f)" % (col0, row0, col1, row1) #perform the interpolation ydata = self._interpolate((x0, y0), imageData, x) xdata = numpy.arange(float(npoints)) if overlay: #self.drawOverlayItem(x, y, legend=name, info=info, replot, replace) self.drawOverlayItem([col0, col1], [row0, row1], legend=ddict['mode'], info=ddict, replace=True, replot=True) elif deltaCol == 0: #vertical line col0 = int(int(ddict['column'][0]) - 0.5 * width) if col0 < 0: col0 = 0 col1 = col0 + width else: col1 = int(int(ddict['column'][0]) + 0.5 * width) if col1 >= shape[1]: col1 = shape[1] - 1 col0 = max(0, col1 - width) row0 = int(ddict['row'][0]) row1 = int(ddict['row'][1]) if row0 > row1: tmp = row0 row0 = row1 row1 = tmp if row0 < 0: row0 = 0 if row1 >= shape[0]: row1 = shape[0] - 1 ydata = imageData[row0:row1+1, col0:col1+1].sum(axis=1) legend = "Col = %d to %d" % (col0, col1) npoints = max(ydata.shape) xdata = numpy.arange(float(npoints)) if overlay: #self.drawOverlayItem(x, y, legend=name, info=info, replot, replace) self.drawOverlayItem([col0, col0, col1+1, col1+1], [row0, row1+1, row1+1, row0], legend=ddict['mode'], info=ddict, replace=True, replot=True) elif deltaRow == 0: #horizontal line row0 = int(int(ddict['row'][0]) - 0.5 * width) if row0 < 0: row0 = 0 row1 = row0 + width else: row1 = int(int(ddict['row'][0]) + 0.5 * width) if row1 >= shape[0]: row1 = shape[0] - 1 row0 = max(0, row1 - width) col0 = int(ddict['column'][0]) col1 = int(ddict['column'][1]) if col0 > col1: tmp = col0 col0 = col1 col1 = tmp if col0 < 0: col0 = 0 if col1 >= shape[1]: col1 = shape[1] - 1 ydata = imageData[row0:row1+1, col0:col1+1].sum(axis=0) legend = "Row = %d to %d" % (row0, row1) npoints = max(ydata.shape) xdata = numpy.arange(float(npoints)) if overlay: #self.drawOverlayItem(x, y, legend=name, info=info, replot, replace) self.drawOverlayItem([col0, col0, col1+1, col1+1], [row0, row1+1, row1+1, row0], legend=ddict['mode'], info=ddict, replace=True, replot=True) else: #restore original value of width width = ddict['pixelwidth'] #find m and b in the line y = mx + b m = (row1 - row0) / float((col1 - col0)) b = row0 - m * col0 alpha = numpy.arctan(m) #imagine the following sequence # - change origin to the first point # - clock-wise rotation to bring the line on the x axis of a new system # so that the points (col0, row0) and (col1, row1) become (x0, 0) (x1, 0) # - counter clock-wise rotation to get the points (x0, -0.5 width), # (x0, 0.5 width), (x1, 0.5 * width) and (x1, -0.5 * width) back to the # original system. # - restore the origin to (0, 0) # - if those extremes are inside the image the selection is acceptable cosalpha = numpy.cos(alpha) sinalpha = numpy.sin(alpha) newCol0 = 0.0 newCol1 = (col1-col0) * cosalpha + (row1-row0) * sinalpha newRow0 = 0.0 newRow1 = -(col1-col0) * sinalpha + (row1-row0) * cosalpha if DEBUG: print("new X0 Y0 = %f, %f " % (newCol0, newRow0)) print("new X1 Y1 = %f, %f " % (newCol1, newRow1)) tmpX = numpy.linspace(newCol0, newCol1, npoints).astype(numpy.float) rotMatrix = numpy.zeros((2,2), numpy.float) rotMatrix[0,0] = cosalpha rotMatrix[0,1] = - sinalpha rotMatrix[1,0] = sinalpha rotMatrix[1,1] = cosalpha if DEBUG: #test if I recover the original points testX = numpy.zeros((2, 1) , numpy.float) colRow = numpy.dot(rotMatrix, testX) print("Recovered X0 = %f" % (colRow[0,0] + col0)) print("Recovered Y0 = %f" % (colRow[1,0] + row0)) print("It should be = %f, %f" % (col0, row0)) testX[0,0] = newCol1 testX[1,0] = newRow1 colRow = numpy.dot(rotMatrix, testX) print("Recovered X1 = %f" % (colRow[0,0] + col0)) print("Recovered Y1 = %f" % (colRow[1,0] + row0)) print("It should be = %f, %f" % (col1, row1)) #find the drawing limits testX = numpy.zeros((2, 4) , numpy.float) testX[0,0] = newCol0 testX[0,1] = newCol0 testX[0,2] = newCol1 testX[0,3] = newCol1 testX[1,0] = newRow0 - 0.5 * width testX[1,1] = newRow0 + 0.5 * width testX[1,2] = newRow1 + 0.5 * width testX[1,3] = newRow1 - 0.5 * width colRow = numpy.dot(rotMatrix, testX) colLimits0 = colRow[0, :] + col0 rowLimits0 = colRow[1, :] + row0 for a in rowLimits0: if (a >= shape[0]) or (a < 0): print("outside row limits",a) return for a in colLimits0: if (a >= shape[1]) or (a < 0): print("outside column limits",a) return r0 = rowLimits0[0] r1 = rowLimits0[1] if r0 > r1: print("r0 > r1", r0, r1) raise ValueError("r0 > r1") x = numpy.zeros((2, npoints) , numpy.float) tmpMatrix = numpy.zeros((npoints, 2) , numpy.float) if 0: #take only the central point oversampling = 1 x[0, :] = tmpX x[1, :] = 0.0 colRow = numpy.dot(rotMatrix, x) colRow[0, :] += col0 colRow[1, :] += row0 tmpMatrix[:,0] = colRow[1,:] tmpMatrix[:,1] = colRow[0,:] ydataCentral = self._interpolate((x0, y0),\ imageData, tmpMatrix) #multiply by width too have the equivalent scale ydata = ydataCentral else: if True: #ddict['event'] == "PolygonSelected": #oversampling solves noise introduction issues oversampling = width + 1 oversampling = min(oversampling, 21) else: oversampling = 1 ncontributors = width * oversampling iterValues = numpy.linspace(-0.5*width, 0.5*width, ncontributors) tmpMatrix = numpy.zeros((npoints*len(iterValues), 2) , numpy.float) x[0, :] = tmpX offset = 0 for i in iterValues: x[1, :] = i colRow = numpy.dot(rotMatrix, x) colRow[0, :] += col0 colRow[1, :] += row0 """ colLimits = [colRow[0, 0], colRow[0, -1]] rowLimits = [colRow[1, 0], colRow[1, -1]] for a in rowLimits: if (a >= shape[0]) or (a < 0): print("outside row limits",a) return for a in colLimits: if (a >= shape[1]) or (a < 0): print("outside column limits",a) return """ #it is much faster to make one call to the interpolating #routine than making many calls tmpMatrix[offset:(offset+npoints),0] = colRow[1,:] tmpMatrix[offset:(offset+npoints),1] = colRow[0,:] offset += npoints ydata = self._interpolate((x0, y0),\ imageData, tmpMatrix) ydata.shape = len(iterValues), npoints ydata = ydata.sum(axis=0) #deal with the oversampling ydata /= oversampling xdata = numpy.arange(float(npoints)) legend = "y = %f (x-%.1f) + %f ; width=%d" % (m, col0, b, width) if overlay: self.drawOverlayItem(colLimits0, rowLimits0, legend=ddict['mode'], info=ddict, replace=True, replot=True) if self.__lineProjectionMode == 'X': xLabel = self.getXLabel() xdata += col0 if self._xScale is not None: xdata = self._xScale[0] + xdata * self._xScale[1] elif self.__lineProjectionMode == 'Y': xLabel = self.getYLabel() xdata += row0 if self._xScale is not None: xdata = self._yScale[0] + xdata * self._yScale[1] else: xLabel = "Distance" if self._xScale is not None: deltaCol *= self._xScale[1] deltaRow *= self._yScale[1] #get the abscisa in distance units deltaDistance = numpy.sqrt(float(deltaCol) * deltaCol + float(deltaRow) * deltaRow)/(npoints-1.0) xdata *= deltaDistance else: if DEBUG: print("Mode %s not supported yet" % ddict['mode']) return self.__lastOverlayWidth = ddict['pixelwidth'] info = {} info['xlabel'] = xLabel info['ylabel'] = "Z" return xdata, ydata, legend, info def _profileSelectionSlot(self, ddict): if DEBUG: print(ddict) # the curves as [[x0, y0, legend0, info0], ...] curveList = ddict['curves'] label = ddict['label'] n = len(curveList) if ddict['event'] == 'ADD': for i in range(n): x, y, legend, info = curveList[i] info['profilelabel'] = label if i == (n-1): replot = True self._profileScanWindow.addCurve(x, y, legend=legend, info=info, replot=replot, replace=False) elif ddict['event'] == 'REPLACE': for i in range(n): x, y, legend, info = curveList[i] info['profilelabel'] = label if i in [0, n-1]: replace = True else: replace = False if i == (n-1): replot = True else: replot = False self._profileScanWindow.addCurve(x, y, legend=legend, info=info, replot=replot, replace=replace) elif ddict['event'] == 'REMOVE': curveList = self._profileScanWindow.getAllCurves() if curveList in [None, []]: return toDelete = [] n = len(curveList) for i in range(n): x, y, legend, info = curveList[i] curveLabel = info.get('profilelabel', None) if curveLabel is not None: if label == curveLabel: toDelete.append(legend) n = len(toDelete) for i in range(n): legend = toDelete[i] if i == (n-1): replot = True else: replot = False self._profileScanWindow.removeCurve(legend, replot=replot) def drawOverlayItem(self, x, y, legend=None, info=None, replace=False, replot=True): #same call as the plot1D addCurve command if legend is None: legend="UnnamedOverlayItem" #the type of x can be list or array shape = self.__imageData.shape if self._xScale is None: xList = x else: xList = [] for i in x: xList.append(self._xScale[0] + i * self._xScale[1]) if self._yScale is None: yList = y else: yList = [] for i in y: yList.append(self._yScale[0] + i * self._yScale[1]) self.graphWidget.graph.addItem(xList, yList, legend=legend, info=info, replace=replace, replot=replot, shape="polygon", fill=True) self.__lastOverlayLegend = legend def _hFlipIconSignal(self): self._y1AxisInverted = self.graphWidget.graph.isYAxisInverted() if self._y1AxisInverted: self._y1AxisInverted = False else: self._y1AxisInverted = True #self.graphWidget.graph.zoomReset() self.graphWidget.graph.invertYAxis(self._y1AxisInverted) self._y1AxisInverted = self.graphWidget.graph.isYAxisInverted() self.graphWidget.graph.replot() #inform the other widgets ddict = {} ddict['event'] = "hFlipSignal" ddict['current'] = self._y1AxisInverted * 1 ddict['id'] = id(self) self.emitMaskImageSignal(ddict) def setY1AxisInverted(self, value): self._y1AxisInverted = value self.graphWidget.graph.invertYAxis(self._y1AxisInverted) def setXLabel(self, label="Column"): return self.graphWidget.setXLabel(label) def setYLabel(self, label="Row"): return self.graphWidget.setYLabel(label) def getXLabel(self): return self.graphWidget.getXLabel() def getYLabel(self): return self.graphWidget.getYLabel() def buildAndConnectImageButtonBox(self, replace=True, multiple=False): # The IMAGE selection self.imageButtonBox = qt.QWidget(self) buttonBox = self.imageButtonBox self.imageButtonBoxLayout = qt.QHBoxLayout(buttonBox) self.imageButtonBoxLayout.setContentsMargins(0, 0, 0, 0) self.imageButtonBoxLayout.setSpacing(0) self.addImageButton = qt.QPushButton(buttonBox) icon = qt.QIcon(qt.QPixmap(IconDict["rgb16"])) self.addImageButton.setIcon(icon) self.addImageButton.setText("ADD IMAGE") self.imageButtonBoxLayout.addWidget(self.addImageButton) if multiple: self.addAllImageButton = qt.QPushButton(buttonBox) self.addAllImageButton.setIcon(icon) self.addAllImageButton.setText("ADD ALL") self.imageButtonBoxLayout.addWidget(self.addAllImageButton) self.addAllImageButton.clicked.connect( \ self._addAllImageClicked) self.removeImageButton = qt.QPushButton(buttonBox) self.removeImageButton.setIcon(icon) self.removeImageButton.setText("REMOVE IMAGE") self.imageButtonBoxLayout.addWidget(self.removeImageButton) self.mainLayout.addWidget(buttonBox) self.addImageButton.clicked.connect(self._addImageClicked) self.removeImageButton.clicked.connect(self._removeImageClicked) if replace: self.replaceImageButton = qt.QPushButton(buttonBox) self.replaceImageButton.setIcon(icon) self.replaceImageButton.setText("REPLACE IMAGE") self.imageButtonBoxLayout.addWidget(self.replaceImageButton) self.replaceImageButton.clicked.connect( \ self._replaceImageClicked) def _setEraseSelectionMode(self): if DEBUG: print("_setEraseSelectionMode") self.__eraseMode = True self.__brushMode = True self.graphWidget.graph.setDrawModeEnabled(False) def _setRectSelectionMode(self): if DEBUG: print("_setRectSelectionMode") self.__eraseMode = False self.__brushMode = False self.graphWidget.graph.setDrawModeEnabled(True, shape="rectangle", label="mask") def _setPolygonSelectionMode(self): self.__eraseMode = False self.__brushMode = False self.graphWidget.graph.setDrawModeEnabled(True, shape="polygon", label="mask") def _setBrushSelectionMode(self): if DEBUG: print("_setBrushSelectionMode") self.__eraseMode = False self.__brushMode = True self.graphWidget.graph.setDrawModeEnabled(False) def _setBrush(self): if DEBUG: print("_setBrush") if self.__brushMenu is None: self.__brushMenu = qt.QMenu() self.__brushMenu.addAction(QString(" 1 Image Pixel Width"), self.__setBrush1) self.__brushMenu.addAction(QString(" 2 Image Pixel Width"), self.__setBrush2) self.__brushMenu.addAction(QString(" 3 Image Pixel Width"), self.__setBrush3) self.__brushMenu.addAction(QString(" 5 Image Pixel Width"), self.__setBrush4) self.__brushMenu.addAction(QString("10 Image Pixel Width"), self.__setBrush5) self.__brushMenu.addAction(QString("20 Image Pixel Width"), self.__setBrush6) self.__brushMenu.exec_(self.cursor().pos()) def __setBrush1(self): self.__brushWidth = 1 def __setBrush2(self): self.__brushWidth = 2 def __setBrush3(self): self.__brushWidth = 3 def __setBrush4(self): self.__brushWidth = 5 def __setBrush5(self): self.__brushWidth = 10 def __setBrush6(self): self.__brushWidth = 20 def _toggleSelectionMode(self): drawMode = self.graphWidget.graph.getDrawMode() if drawMode is None: # we are not drawing anything if self.graphWidget.graph.isZoomModeEnabled(): # we have to pass to mask mode self.setSelectionMode(True) else: # we set zoom mode and show the line icons self.setSelectionMode(False) elif drawMode['label'] is not None: if drawMode['label'].startswith('mask'): #we set the zoom mode and show the line icons self.setSelectionMode(False) else: # we disable zoom and drawing and set mask mode self.setSelectionMode(True) elif drawMode['label'] in [None]: # we are not drawing anything if self.graphWidget.graph.isZoomModeEnabled(): # we have to pass to mask mode self.setSelectionMode(True) else: # we set zoom mode and show the line icons self.setSelectionMode(False) def setSelectionMode(self, mode=None): #does it have sense to enable the selection without the image selection icons? #if not self.__imageIconsFlag: # mode = False if mode: self.graphWidget.graph.setDrawModeEnabled(True, 'rectangle', label='mask') self.__brushMode = False self.graphWidget.hideProfileSelectionIcons() self.graphWidget.selectionToolButton.setChecked(True) self.graphWidget.selectionToolButton.setDown(True) self.graphWidget.showImageIcons() else: self.graphWidget.showProfileSelectionIcons() self.graphWidget.graph.setZoomModeEnabled(True) self.graphWidget.selectionToolButton.setChecked(False) self.graphWidget.selectionToolButton.setDown(False) self.graphWidget.hideImageIcons() if self.__imageData is None: return def _additionalSelectionMenuDialog(self): if self.__imageData is None: return self._additionalSelectionMenu.exec_(self.cursor().pos()) def _getSelectionMinMax(self): if self.colormap is None: goodData = self.__imageData[numpy.isfinite(self.__imageData)] maxValue = goodData.max() minValue = goodData.min() else: minValue = self.colormap[2] maxValue = self.colormap[3] return minValue, maxValue def _selectMax(self): selectionMask = numpy.zeros(self.__imageData.shape, numpy.uint8) minValue, maxValue = self._getSelectionMinMax() tmpData = numpy.array(self.__imageData, copy=True) tmpData[True - numpy.isfinite(self.__imageData)] = minValue selectionMask[tmpData >= maxValue] = 1 self.setSelectionMask(selectionMask, plot=False) self.plotImage(update=False) self._emitMaskChangedSignal() def _selectMiddle(self): selectionMask = numpy.ones(self.__imageData.shape, numpy.uint8) minValue, maxValue = self._getSelectionMinMax() tmpData = numpy.array(self.__imageData, copy=True) tmpData[True - numpy.isfinite(self.__imageData)] = maxValue selectionMask[tmpData >= maxValue] = 0 selectionMask[tmpData <= minValue] = 0 self.setSelectionMask(selectionMask, plot=False) self.plotImage(update=False) self._emitMaskChangedSignal() def _selectMin(self): selectionMask = numpy.zeros(self.__imageData.shape, numpy.uint8) minValue, maxValue = self._getSelectionMinMax() tmpData = numpy.array(self.__imageData, copy=True) tmpData[True - numpy.isfinite(self.__imageData)] = maxValue selectionMask[tmpData <= minValue] = 1 self.setSelectionMask(selectionMask, plot=False) self.plotImage(update=False) self._emitMaskChangedSignal() def _invertSelection(self): if self.__imageData is None: return mask = numpy.ones(self.__imageData.shape, numpy.uint8) if self.__selectionMask is not None: mask[self.__selectionMask > 0] = 0 self.setSelectionMask(mask, plot=True) self._emitMaskChangedSignal() def __resetSelection(self): # Needed because receiving directly in _resetSelection it was passing # False as argument self._resetSelection(True) def _resetSelection(self, owncall=True): if DEBUG: print("_resetSelection") self.__selectionMask = None if self.__imageData is None: return #self.__selectionMask = numpy.zeros(self.__imageData.shape, numpy.uint8) self.plotImage(update = True) #inform the others if owncall: ddict = {} ddict['event'] = "resetSelection" ddict['id'] = id(self) self.emitMaskImageSignal(ddict) def setSelectionMask(self, mask, plot=True): if mask is not None: if self.__imageData is not None: # this operation will be made when retrieving the mask #mask *= numpy.isfinite(self.__imageData) pass self.__selectionMask = mask if plot: self.plotImage(update=False) def getSelectionMask(self): if self.__imageData is None: return None if self.__selectionMask is None: return numpy.zeros(self.__imageData.shape, numpy.uint8) *\ numpy.isfinite(self.__imageData) return self.__selectionMask *\ numpy.isfinite(self.__imageData) def setImageData(self, data, clearmask=False, xScale=None, yScale=None): self.__image = None self._xScale = xScale self._yScale = yScale if data is None: self.__imageData = data self.__selectionMask = None self.plotImage(update = True) self.graphWidget._zoomReset(replot=True) return else: self.__imageData = data if clearmask: self.__selectionMask = None if self.colormapDialog is not None: goodData = self.__imageData[numpy.isfinite(self.__imageData)] minData = goodData.min() maxData = goodData.max() if self.colormapDialog.autoscale: self.colormapDialog.setDisplayedMinValue(minData) self.colormapDialog.setDisplayedMaxValue(maxData) self.colormapDialog.setDataMinMax(minData, maxData, update=True) else: self.plotImage(update = True) self.graphWidget._zoomReset(replot=True) def getImageData(self): return self.__imageData def getQImage(self): return self.__image def setQImage(self, qimage, width, height, clearmask=False, data=None): #This is just to get it different than None if (qimage.width() != width) or (qimage.height() != height): if 1 or (qimage.width() > width) or (qimage.height() > height): transformation = qt.Qt.SmoothTransformation else: transformation = qt.Qt.FastTransformation self.__image = qimage.scaled(qt.QSize(width, height), qt.Qt.IgnoreAspectRatio, transformation) else: self.__image = qimage if self.__image.format() == qt.QImage.Format_Indexed8: pixmap0 = numpy.fromstring(qimage.bits().asstring(width * height), dtype = numpy.uint8) pixmap = numpy.zeros((height * width, 4), numpy.uint8) pixmap[:,0] = pixmap0[:] pixmap[:,1] = pixmap0[:] pixmap[:,2] = pixmap0[:] pixmap[:,3] = 255 pixmap.shape = height, width, 4 else: self.__image = self.__image.convertToFormat(qt.QImage.Format_ARGB32) pixmap = numpy.fromstring(self.__image.bits().asstring(width * height * 4), dtype = numpy.uint8) pixmap.shape = height, width,-1 # Qt uses BGRA, convert to RGBA tmpBuffer = numpy.array(pixmap[:,:,0], copy=True, dtype=pixmap.dtype) pixmap[:,:,0] = pixmap[:,:,2] pixmap[:,:,2] = tmpBuffer if data is None: self.__imageData = numpy.zeros((height, width), numpy.float) self.__imageData = pixmap[:,:,0] * 0.299 +\ pixmap[:,:,1] * 0.587 +\ pixmap[:,:,2] * 0.114 else: self.__imageData = data self.__imageData.shape = height, width self._xScale = None self._yScale = None self.__pixmap0 = pixmap if clearmask: self.__selectionMask = None self.plotImage(update = True) self.graphWidget._zoomReset(replot=True) def plotImage(self, update=True): if self.__imageData is None: self.graphWidget.graph.clear() return if update: self.getPixmapFromData() self.__pixmap0 = self.__pixmap.copy() self.__applyMaskToImage() # replot=False as it triggers a zoom reset in Plot.py self.graphWidget.graph.addImage(self.__pixmap, "image", xScale=self._xScale, yScale=self._yScale, replot=False) self.graphWidget.graph.replot() self.updateProfileSelectionWindow() def getPixmapFromData(self): colormap = self.colormap if self.__image is not None: self.__pixmap = self.__pixmap0.copy() return if hasattr(self.__imageData, 'mask'): data = self.__imageData.data else: data = self.__imageData finiteData = numpy.isfinite(data) goodData = finiteData.min() if self.colormapDialog is not None: minData = self.colormapDialog.dataMin maxData = self.colormapDialog.dataMax else: if goodData: minData = data.min() maxData = data.max() else: tmpData = data[finiteData] if tmpData.size > 0: minData = tmpData.min() maxData = tmpData.max() else: minData = None maxData = None tmpData = None if colormap is None: if minData is None: (self.__pixmap,size,minmax)= spslut.transform(\ data, (1,0), (self.__defaultColormapType,3.0), "RGBX", self.__defaultColormap, 1, (0, 1), (0, 255), 1) else: (self.__pixmap,size,minmax)= spslut.transform(\ data, (1,0), (self.__defaultColormapType,3.0), "RGBX", self.__defaultColormap, 0, (minData,maxData), (0, 255), 1) else: if len(colormap) < 7: colormap.append(spslut.LINEAR) if goodData: (self.__pixmap,size,minmax)= spslut.transform(\ data, (1,0), (colormap[6],3.0), "RGBX", COLORMAPLIST[int(str(colormap[0]))], colormap[1], (colormap[2],colormap[3]), (0,255), 1) elif colormap[1]: #autoscale if minData is None: (self.__pixmap,size,minmax)= spslut.transform(\ data, (1,0), (self.__defaultColormapType,3.0), "RGBX", self.__defaultColormap, 1, (0, 1), (0, 255), 1) else: (self.__pixmap,size,minmax)= spslut.transform(\ data, (1,0), (colormap[6],3.0), "RGBX", COLORMAPLIST[int(str(colormap[0]))], 0, (minData,maxData), (0,255), 1) else: (self.__pixmap,size,minmax)= spslut.transform(\ data, (1,0), (colormap[6],3.0), "RGBX", COLORMAPLIST[int(str(colormap[0]))], colormap[1], (colormap[2],colormap[3]), (0,255), 1) self.__pixmap.shape = [data.shape[0], data.shape[1], 4] if not goodData: self.__pixmap[finiteData < 1] = 255 return self.__pixmap def getPixmap(self, original=True): if original: if self.__pixmap0 is None: return self.__pixmap else: return self.__pixmap0 else: # in this case also the mask may been applied return self.__pixmap def tagRoi(self, intValue): #get current ROI tag oldTag = self._roiTags[self._nRoi - 1] newTag = intValue if oldTag != newTag: self._roiTags[self._roiTags.index(intValue)] = oldTag self._roiTags[self._nRoi - 1] = newTag if self.__selectionMask is not None: mem0 = (self.__selectionMask == oldTag) mem1 = (self.__selectionMask == newTag) self.__selectionMask[mem0] = newTag self.__selectionMask[mem1] = oldTag self.plotImage(update=False) def setActiveRoiNumber(self, intValue): self._nRoi = intValue if 0: self.tagRoi(self._roiTags[intValue-1]) else: self.plotImage(update=False) def __applyMaskToImageOLD(self): """ Method kept for reference till the new one is fully tested """ if self.__selectionMask is None: return #if not self.__selectionFlag: # print("Return because of selection flag") # return if self._maxNRois < 2: alteration = (1 - (0.2 * self.__selectionMask)) else: alteration = (1 - (0.2 * (self.__selectionMask > 0))) - \ 0.1 * (self.__selectionMask == self._nRoi) if self.colormap is None: if self.__image is not None: if self.__image.format() == qt.QImage.Format_ARGB32: for i in range(4): self.__pixmap[:,:,i] = (self.__pixmap0[:,:,i] *\ alteration).astype(numpy.uint8) else: self.__pixmap = self.__pixmap0.copy() self.__pixmap[self.__selectionMask>0,0] = 0x40 self.__pixmap[self.__selectionMask>0,2] = 0x70 self.__pixmap[self.__selectionMask>0,3] = 0x40 else: if self.__defaultColormap > 1: for i in range(3): self.__pixmap[:,:,i] = (self.__pixmap0[:,:,i] *\ alteration) if 0: #this is to recolor non finite points tmpMask = numpy.isfinite(self.__imageData) goodData = numpy.isfinite(self.__imageData).min() if not goodData: for i in range(3): self.__pixmap[:,:,i] *= tmpMask else: self.__pixmap = self.__pixmap0.copy() self.__pixmap[self.__selectionMask>0,0] = 0x40 self.__pixmap[self.__selectionMask>0,2] = 0x70 self.__pixmap[self.__selectionMask>0,3] = 0x40 if 0: #this is to recolor non finite points tmpMask = ~numpy.isfinite(self.__imageData) badData = numpy.isfinite(self.__imageData).max() if badData: self.__pixmap[tmpMask,0] = 0x00 self.__pixmap[tmpMask,1] = 0xff self.__pixmap[tmpMask,2] = 0xff self.__pixmap[tmpMask,3] = 0xff elif int(str(self.colormap[0])) > 1: #color tmp = 1 - 0.2 * self.__selectionMask for i in range(3): self.__pixmap[:,:,i] = (self.__pixmap0[:,:,i] *\ tmp) if 0: tmpMask = numpy.isfinite(self.__imageData) goodData = numpy.isfinite(self.__imageData).min() if not goodData: if not goodData: for i in range(3): self.__pixmap[:,:,i] *= tmpMask else: self.__pixmap = self.__pixmap0.copy() tmp = 1 - self.__selectionMask self.__pixmap[:,:, 2] = (0x70 * self.__selectionMask) +\ tmp * self.__pixmap0[:,:,2] self.__pixmap[:,:, 3] = (0x40 * self.__selectionMask) +\ tmp * self.__pixmap0[:,:,3] if 0: tmpMask = ~numpy.isfinite(self.__imageData) badData = numpy.isfinite(self.__imageData).max() if badData: self.__pixmap[tmpMask,0] = 0x00 self.__pixmap[tmpMask,1] = 0xff self.__pixmap[tmpMask,2] = 0xff self.__pixmap[tmpMask,3] = 0xff return def __applyMaskToImage(self): if self.__selectionMask is None: return #if not self.__selectionFlag: # print("Return because of selection flag") # return if self._selectionColors is not None: self.__pixmap = self.__pixmap0.copy() for i in range(1, self._maxNRois + 1): color = self._selectionColors[i - 1].copy() self.__pixmap[self.__selectionMask == i] = color return if self._maxNRois < 2: alteration = (1 - (0.2 * self.__selectionMask)) else: alteration = (1 - (0.2 * (self.__selectionMask > 0))) - \ 0.1 * (self.__selectionMask == self._roiTags[self._nRoi - 1]) if self.colormap is None: if DEBUG: print("Colormap is None") if self.__image is not None: if self.__image.format() == qt.QImage.Format_ARGB32: if DEBUG: print("__applyMaskToImage CASE 1") for i in range(4): self.__pixmap[:,:,i] = (self.__pixmap0[:,:,i] *\ alteration).astype(numpy.uint8) else: if DEBUG: print("__applyMaskToImage CASE 2") self.__pixmap = self.__pixmap0.copy() tmp = self.__selectionMask > 0 self.__pixmap[tmp, 0] = 0x40 self.__pixmap[tmp, 2] = 0x70 self.__pixmap[tmp, 3] = 0x40 if self._maxNRois > 1: roiTag = (self.__selectionMask == self._roiTags[self._nRoi - 1]) self.__pixmap[roiTag, 0] = 2*0x40 self.__pixmap[roiTag, 2] = 2*0x70 self.__pixmap[roiTag, 3] = 2*0x40 else: if self.__defaultColormap > 1: if DEBUG: print("__applyMaskToImage CASE 3") self.__pixmap = self.__pixmap0.copy() for i in range(3): self.__pixmap[:,:,i] = (self.__pixmap0[:,:,i] *\ alteration) if 0: #this is to recolor non finite points tmpMask = numpy.isfinite(self.__imageData) goodData = numpy.isfinite(self.__imageData).min() if not goodData: for i in range(3): self.__pixmap[:,:,i] *= tmpMask else: if DEBUG: print("__applyMaskToImage CASE 4") self.__pixmap = self.__pixmap0.copy() self.__pixmap[self.__selectionMask>0,0] = 0x40 self.__pixmap[self.__selectionMask>0,2] = 0x70 self.__pixmap[self.__selectionMask>0,3] = 0x40 if self._maxNRois > 1: self.__pixmap[self.__selectionMask==self._nRoi,0] = 2*0x40 self.__pixmap[self.__selectionMask==self._nRoi,2] = 2*0x70 self.__pixmap[self.__selectionMask==self._nRoi,3] = 2*0x40 if 0: #this is to recolor non finite points tmpMask = ~numpy.isfinite(self.__imageData) badData = numpy.isfinite(self.__imageData).max() if badData: self.__pixmap[tmpMask,0] = 0x00 self.__pixmap[tmpMask,1] = 0xff self.__pixmap[tmpMask,2] = 0xff self.__pixmap[tmpMask,3] = 0xff elif int(str(self.colormap[0])) > 1: #color if DEBUG: print("__applyMaskToImage CASE 5") for i in range(3): self.__pixmap[:,:,i] = (self.__pixmap0[:,:,i] * alteration) if 0: tmpMask = numpy.isfinite(self.__imageData) goodData = numpy.isfinite(self.__imageData).min() if not goodData: if not goodData: for i in range(3): self.__pixmap[:,:,i] *= tmpMask elif self._maxNRois > 1: if DEBUG: print("__applyMaskToImage CASE 6") tmp = 1 - (self.__selectionMask>0) tmp2 = (self.__selectionMask == self._roiTags[self._nRoi - 1]) self.__pixmap[:, :, 2] = (0x70 * (self.__selectionMask>0) + \ 0x70 * tmp2) +\ tmp * self.__pixmap0[:,:,2] self.__pixmap[:,:, 3] = (0x40 * (self.__selectionMask>0) + 0x40 * tmp2) +\ tmp * self.__pixmap0[:,:,3] else: if DEBUG: print("__applyMaskToImage CASE 7") self.__pixmap = self.__pixmap0.copy() tmp = 1 - self.__selectionMask self.__pixmap[:, :, 2] = (0x70 * self.__selectionMask) +\ tmp * self.__pixmap0[:,:,2] self.__pixmap[:, :, 3] = (0x40 * self.__selectionMask) +\ tmp * self.__pixmap0[:,:,3] if 0: tmpMask = ~numpy.isfinite(self.__imageData) badData = numpy.isfinite(self.__imageData).max() if badData: self.__pixmap[tmpMask,0] = 0x00 self.__pixmap[tmpMask,1] = 0xff self.__pixmap[tmpMask,2] = 0xff self.__pixmap[tmpMask,3] = 0xff return def selectColormap(self): if self.__imageData is None: return if self.colormapDialog is None: self.__initColormapDialog() if self.colormapDialog is None: return if self.colormapDialog.isHidden(): self.colormapDialog.show() self.colormapDialog.raise_() self.colormapDialog.show() def __initColormapDialog(self): goodData = self.__imageData[numpy.isfinite(self.__imageData)] if goodData.size > 0: maxData = goodData.max() minData = goodData.min() else: qt.QMessageBox.critical(self,"No Data", "Image data does not contain any real value") return self.colormapDialog = ColormapDialog.ColormapDialog(self) self.colormapDialog.show() colormapIndex = self.__defaultColormap if colormapIndex == 1: colormapIndex = 0 elif colormapIndex == 6: colormapIndex = 1 self.colormapDialog.colormapIndex = colormapIndex self.colormapDialog.colormapString = self.colormapDialog.colormapList[colormapIndex] self.colormapDialog.setDataMinMax(minData, maxData) self.colormapDialog.setAutoscale(1) self.colormapDialog.setColormap(self.colormapDialog.colormapIndex) self.colormapDialog.setColormapType(self.__defaultColormapType, update=False) self.colormap = (self.colormapDialog.colormapIndex, self.colormapDialog.autoscale, self.colormapDialog.minValue, self.colormapDialog.maxValue, minData, maxData) self.colormapDialog.setWindowTitle("Colormap Dialog") self.colormapDialog.sigColormapChanged.connect(self.updateColormap) self.colormapDialog._update() def updateColormap(self, *var): if len(var) == 1: var = var[0] if len(var) > 6: self.colormap = [var[0], var[1], var[2], var[3], var[4], var[5], var[6]] elif len(var) > 5: self.colormap = [var[0], var[1], var[2], var[3], var[4], var[5]] else: self.colormap = [var[0], var[1], var[2], var[3], var[4], var[5]] self.plotImage(True) def _addImageClicked(self): ddict = {} ddict['event'] = "addImageClicked" ddict['image'] = self.__imageData ddict['title'] = self.getGraphTitle() ddict['id'] = id(self) self.emitMaskImageSignal(ddict) def _addAllImageClicked(self): ddict = {} ddict['event'] = "addAllClicked" ddict['image'] = self.__imageData ddict['title'] = self.getGraphTitle() ddict['id'] = id(self) self.emitMaskImageSignal(ddict) def _removeImageClicked(self): ddict = {} ddict['event'] = "removeImageClicked" ddict['title'] = self.getGraphTitle() ddict['id'] = id(self) self.emitMaskImageSignal(ddict) def _replaceImageClicked(self): ddict = {} ddict['event'] = "replaceImageClicked" ddict['image'] = self.__imageData ddict['title'] = self.getGraphTitle() ddict['id'] = id(self) self.emitMaskImageSignal(ddict) def _saveToolButtonSignal(self): self._saveMenu.exec_(self.cursor().pos()) def _saveMatplotlibImage(self): imageData = self.__imageData if self._matplotlibSaveImage is None: self._matplotlibSaveImage = QPyMcaMatplotlibSave.SaveImageSetup(None, image=None) title = "Matplotlib " + self.getGraphTitle() self._matplotlibSaveImage.setWindowTitle(title) ddict = self._matplotlibSaveImage.getParameters() if self.colormap is not None: colormapType = ddict['linlogcolormap'] try: colormapIndex, autoscale, vmin, vmax,\ dataMin, dataMax, colormapType = self.colormap if colormapType == spslut.LOG: colormapType = 'logarithmic' else: colormapType = 'linear' except: colormapIndex, autoscale, vmin, vmax = self.colormap[0:4] ddict['linlogcolormap'] = colormapType if not autoscale: ddict['valuemin'] = vmin ddict['valuemax'] = vmax else: ddict['valuemin'] = 0 ddict['valuemax'] = 0 #this sets the actual dimensions if self._xScale is not None: ddict['xorigin'] = self._xScale[0] ddict['xpixelsize'] = self._xScale[1] if self._yScale is not None: ddict['yorigin'] = self._yScale[0] ddict['ypixelsize'] = self._yScale[1] ddict['xlabel'] = self.getXLabel() ddict['ylabel'] = self.getYLabel() limits = self.graphWidget.graph.getGraphXLimits() ddict['zoomxmin'] = limits[0] ddict['zoomxmax'] = limits[1] limits = self.graphWidget.graph.getGraphYLimits() ddict['zoomymin'] = limits[0] ddict['zoomymax'] = limits[1] self._matplotlibSaveImage.setParameters(ddict) self._matplotlibSaveImage.setImageData(imageData) self._matplotlibSaveImage.show() self._matplotlibSaveImage.raise_() def _otherWidgetGraphSignal(self, ddict): self._graphSignal(ddict, ownsignal = False) def _handlePolygonMask(self, ddict): if self._xScale is None: self._xScale = [0, 1] if self._yScale is None: self._yScale = [0, 1] # this is when we have __imageData if self.__imageData is not None: imageShape = self.__imageData.shape elif self.__pixmap0 is not None: imageShape = self.__pixmap0.shape[0:2] else: print("Cannot handle polygon mask") return x = self._xScale[0] + self._xScale[1] * numpy.arange(imageShape[1]) y = self._yScale[0] + self._yScale[1] * numpy.arange(imageShape[0]) X, Y = numpy.meshgrid(x, y) X.shape = -1 Y.shape = -1 Z = numpy.zeros((imageShape[1]*imageShape[0], 2)) Z[:, 0] = X Z[:, 1] = Y X = None Y = None mask = pnpoly(ddict['points'][:-1], Z, 1) mask.shape = imageShape if self.__selectionMask is None: self.__selectionMask = mask else: self.__selectionMask[mask==1] = self._roiTags[self._nRoi - 1] self.plotImage(update = False) #inform the other widgets self._emitMaskChangedSignal() def _graphSignal(self, ddict, ownsignal = None): if ownsignal is None: ownsignal = True emitsignal = False if self.__imageData is None: if ddict['event'] == "drawingFinished": label = ddict['parameters']['label'] shape = ddict['parameters']['shape'] if shape == "polygon": return self._handlePolygonMask(ddict) return if ddict['event'] == "drawingFinished": # TODO: when drawing a shape, set a legend to it in order # to identify it. # In the mean time, assume nobody else is triggering drawing # and therefore only rectangle is supported as selection label = ddict['parameters']['label'] shape = ddict['parameters']['shape'] if label is None: #not this module business return elif not label.startswith('mask'): # is it a profile selection return elif shape == "polygon": return self._handlePolygonMask(ddict) else: # rectangle pass j1, i1 = convertToRowAndColumn(ddict['x'], ddict['y'], self.__imageData.shape, xScale=self._xScale, yScale=self._yScale, safe=True) w = ddict['width'] h = ddict['height'] j2, i2 = convertToRowAndColumn(ddict['x'] + w, ddict['y'] + h, self.__imageData.shape, xScale=self._xScale, yScale=self._yScale, safe=True) if i1 == i2: i2 += 1 elif (ddict['x'] + w) < self.__imageData.shape[1]: i2 += 1 if j1 == j2: j2 += 1 elif (ddict['y'] + h) < self.__imageData.shape[0]: j2 += 1 if self.__selectionMask is None: self.__selectionMask = numpy.zeros(self.__imageData.shape, numpy.uint8) if self.__eraseMode: self.__selectionMask[j1:j2, i1:i2] = 0 else: self.__selectionMask[j1:j2, i1:i2] = self._roiTags[self._nRoi - 1] emitsignal = True elif ddict['event'] in ["mouseMoved", "MouseAt", "mouseClicked"]: if ownsignal: pass if None in [ddict['x'], ddict['y']]: if DEBUG: print("Signal from outside region", ddict) return if self.graphWidget.infoWidget.isHidden() or self.__brushMode: row, column = convertToRowAndColumn(ddict['x'], ddict['y'], self.__imageData.shape, xScale=self._xScale, yScale=self._yScale, safe=True) halfWidth = 0.5 * self.__brushWidth #in (row, column) units halfHeight = 0.5 * self.__brushWidth #in (row, column) units shape = self.__imageData.shape columnMin = max(column - halfWidth, 0) columnMax = min(column + halfWidth, shape[1]) rowMin = max(row - halfHeight, 0) rowMax = min(row + halfHeight, shape[0]) rowMin = min(int(round(rowMin)), shape[0] - 1) rowMax = min(int(round(rowMax)), shape[0]) columnMin = min(int(round(columnMin)), shape[1] - 1) columnMax = min(int(round(columnMax)), shape[1]) if rowMin == rowMax: rowMax = rowMin + 1 elif (rowMax - rowMin) > self.__brushWidth: # python 3 implements banker's rounding # test case ddict['x'] = 23.3 gives: # i1 = 22 and i2 = 24 in python 3 # i1 = 23 and i2 = 24 in python 2 rowMin = rowMax - self.__brushWidth if columnMin == columnMax: columnMax = columnMin + 1 elif (columnMax - columnMin) > self.__brushWidth: # python 3 implements banker's rounding # test case ddict['x'] = 23.3 gives: # i1 = 22 and i2 = 24 in python 3 # i1 = 23 and i2 = 24 in python 2 columnMin = columnMax - self.__brushWidth #To show array coordinates: #x = self._xScale[0] + columnMin * self._xScale[1] #y = self._yScale[0] + rowMin * self._yScale[1] #self.setMouseText("%g, %g, %g" % (x, y, self.__imageData[rowMin, columnMin])) #To show row and column: #self.setMouseText("%g, %g, %g" % (row, column, self.__imageData[rowMin, columnMin])) #To show mouse coordinates: #self.setMouseText("%g, %g, %g" % (ddict['x'], ddict['y'], self.__imageData[rowMin, columnMin])) if self._xScale is not None: x = self._xScale[0] + column * self._xScale[1] y = self._yScale[0] + row * self._yScale[1] else: x = column y = row self.setMouseText("%g, %g, %g" % (x, y, self.__imageData[row, column])) if self.__brushMode: if self.graphWidget.graph.isZoomModeEnabled(): return if ddict['button'] != "left": return if self.__selectionMask is None: self.__selectionMask = numpy.zeros(self.__imageData.shape, numpy.uint8) if self.__eraseMode: self.__selectionMask[rowMin:rowMax, columnMin:columnMax] = 0 else: self.__selectionMask[rowMin:rowMax, columnMin:columnMax] = self._roiTags[self._nRoi - 1] emitsignal = True if emitsignal: #should this be made by the parent? self.plotImage(update = False) #inform the other widgets self._emitMaskChangedSignal() def _emitMaskChangedSignal(self): #inform the other widgets ddict = {} ddict['event'] = "selectionMaskChanged" ddict['current'] = self.__selectionMask * 1 ddict['id'] = id(self) self.emitMaskImageSignal(ddict) def emitMaskImageSignal(self, ddict): #qt.QObject.emit(self, # qt.SIGNAL('MaskImageWidgetSignal'), # ddict) self.sigMaskImageWidgetSignal.emit(ddict) def _zoomResetSignal(self): if DEBUG: print("_zoomResetSignal") self.graphWidget._zoomReset(replot=False) self.plotImage(True) def getOutputFileName(self): initdir = PyMcaDirs.outputDir if self.outputDir is not None: if os.path.exists(self.outputDir): initdir = self.outputDir filedialog = qt.QFileDialog(self) filedialog.setFileMode(filedialog.AnyFile) filedialog.setAcceptMode(qt.QFileDialog.AcceptSave) filedialog.setWindowIcon(qt.QIcon(qt.QPixmap(IconDict["gioconda16"]))) formatlist = ["ASCII Files *.dat", "EDF Files *.edf", 'CSV(, separated) Files *.csv', 'CSV(; separated) Files *.csv', 'CSV(tab separated) Files *.csv'] if hasattr(qt, "QStringList"): strlist = qt.QStringList() else: strlist = [] for f in formatlist: strlist.append(f) if self._saveFilter is None: self._saveFilter =formatlist[0] if hasattr(filedialog, "setFilters"): filedialog.setFilters(strlist) filedialog.selectFilter(self._saveFilter) else: filedialog.setNameFilters(strlist) filedialog.selectNameFilter(self._saveFilter) filedialog.setDirectory(initdir) ret = filedialog.exec_() if not ret: return "" filename = filedialog.selectedFiles()[0] if len(filename): filename = qt.safe_str(filename) self.outputDir = os.path.dirname(filename) if hasattr(filedialog, "selectedFilter"): self._saveFilter = qt.safe_str(filedialog.selectedFilter()) else: self._saveFilter = qt.safe_str(filedialog.selectedNameFilter()) filterused = "."+self._saveFilter[-3:] PyMcaDirs.outputDir = os.path.dirname(filename) if len(filename) < 4: filename = filename+ filterused elif filename[-4:] != filterused : filename = filename+ filterused else: filename = "" return filename def saveImageList(self, filename=None, imagelist=None, labels=None): imageList = [] if labels is None: labels = [] if imagelist is None: if self.__imageData is not None: imageList.append(self.__imageData) label = self.getGraphTitle() label.replace(' ', '_') labels.append(label) if self.__selectionMask is not None: if self.__selectionMask.max() > 0: imageList.append(self.__selectionMask) labels.append(label+"_Mask") else: imageList = imagelist if len(labels) == 0: for i in range(len(imagelist)): labels.append("Image%02d" % i) if not len(imageList): qt.QMessageBox.information(self,"No Data", "Image list is empty.\nNothing to be saved") return if filename is None: filename = self.getOutputFileName() if not len(filename):return if filename.lower().endswith(".edf"): ArraySave.save2DArrayListAsEDF(imageList, filename, labels) elif filename.lower().endswith(".csv"): if "," in self._saveFilter: csvseparator = "," elif ";" in self._saveFilter: csvseparator = ";" else: csvseparator = "\t" ArraySave.save2DArrayListAsASCII(imageList, filename, labels, csv=True, csvseparator=csvseparator) else: ArraySave.save2DArrayListAsASCII(imageList, filename, labels, csv=False) def saveClippedSeenImageList(self): return self.saveClippedAndSubtractedSeenImageList(subtract=False) def saveClippedAndSubtractedSeenImageList(self, subtract=True): imageData = self.__imageData if imageData is None: return vmin = None label = self.getGraphTitle() if not len(label): label = "Image01" if self.colormap is not None: colormapIndex, autoscale, vmin, vmax = self.colormap[0:4] if not autoscale: imageData = imageData.clip(vmin, vmax) label += ".clip(%f,%f)" % (vmin, vmax) if subtract: if vmin is None: vmin = imageData.min() imageData = imageData-vmin label += "-%f" % vmin imageList = [imageData] labelList = [label] if self.__selectionMask is not None: if self.__selectionMask.max() > 0: imageList.append(self.__selectionMask) labelList.append(label+"_Mask") self.saveImageList(filename=None, imagelist=imageList, labels=labelList) def setDefaultColormap(self, colormapindex, logflag=False): self.__defaultColormap = COLORMAPLIST[min(colormapindex, len(COLORMAPLIST)-1)] if logflag: self.__defaultColormapType = spslut.LOG else: self.__defaultColormapType = spslut.LINEAR def closeEvent(self, event): if self._profileSelectionWindow is not None: self._profileSelectionWindow.close() if self.colormapDialog is not None: self.colormapDialog.close() return qt.QWidget.closeEvent(self, event) def setInfoText(self, text): return self.graphWidget.setInfoText(text) def setMouseText(self, text=""): return self.graphWidget.setMouseText(text) class MaskImageDialog(qt.QDialog): def __init__(self, parent=None, image=None, mask=None): super(MaskImageDialog, self).__init__(parent) layout = qt.QVBoxLayout(self) layout.setContentsMargins(0, 0, 0, 0) layout.setSpacing(0) self.maskWidget = MaskImageWidget(self, aspect=True) buttonBox = qt.QWidget(self) buttonBoxLayout = qt.QHBoxLayout(buttonBox) buttonBoxLayout.setContentsMargins(0, 0, 0, 0) buttonBoxLayout.setSpacing(0) self.okButton = qt.QPushButton(buttonBox) self.okButton.setText("OK") self.okButton.setAutoDefault(False) self.cancelButton = qt.QPushButton(buttonBox) self.cancelButton.setText("Cancel") self.cancelButton.setAutoDefault(False) self.okButton.clicked.connect(self.accept) self.cancelButton.clicked.connect(self.reject) #buttonBoxLayout.addWidget(qt.HorizontalSpacer(self)) buttonBoxLayout.addWidget(self.okButton) buttonBoxLayout.addWidget(self.cancelButton) #buttonBoxLayout.addWidget(qt.HorizontalSpacer(self)) layout.addWidget(self.maskWidget) layout.addWidget(buttonBox) self.setImage = self.maskWidget.setImageData self.setMask = self.maskWidget.setSelectionMask self.getMask = self.maskWidget.getSelectionMask if image is not None: self.setImage(image) if mask is not None: self.setMask(mask) def getImageMask(image, mask=None): """ Functional interface to interactively define a mask """ w = MaskImageDialog(image=image, mask=mask) ret = w.exec_() if ret: mask = w.getMask() w = None del(w) return mask def test(filename=None, backend=None): app = qt.QApplication([]) app.lastWindowClosed.connect(app.quit) if filename: container = MaskImageWidget(backend=backend, selection=True, aspect=True, imageicons=True, profileselection=True, maxNRois=2) if filename.endswith('edf') or\ filename.endswith('cbf') or\ filename.endswith('ccd') or\ filename.endswith('spe') or\ filename.endswith('tif') or\ filename.endswith('tiff'): from PyMca5.PyMcaIO import EdfFile edf = EdfFile.EdfFile(sys.argv[1]) data = edf.GetData(0) container.setImageData(data) else: image = qt.QImage(filename) #container.setQImage(image, image.width(),image.height()) container.setQImage(image, 200, 200) else: container = MaskImageWidget(backend=backend, aspect=True, profileselection=True, maxNRois=2) # show how to use user specified colors for the mask # without using any blitting (for the time being) # in the future it could be made using the alpha channel if 0: colors = numpy.zeros((2, 4), dtype=numpy.uint8) colors[0,0] = 255 colors[0,1] = 0 colors[0,2] = 0 colors[0,3] = 255 colors[1,0] = 0 colors[1,1] = 0 colors[1,2] = 255 colors[1,3] = 255 container.setSelectionColors(colors) data = numpy.arange(400 * 400).astype(numpy.int32) data.shape = 200, 800 #data = numpy.eye(200) container.setImageData(data, xScale=(1000.0, 1.0), yScale=(1000., 1.)) mask = (data*0).astype(numpy.uint8) n, m = data.shape mask[ n/4:n/4+n/8, m/4:m/4+m/8] = 1 mask[ 3*n/4:3*n/4+n/8, m/4:m/4+m/8] = 2 container.setSelectionMask(mask, plot=True) #data.shape = 100, 400 #container.setImageData(None) #container.setImageData(data) container.show() def theSlot(ddict): print(ddict['event']) container.sigMaskImageWidgetSignal.connect(theSlot) app.exec_() print(container.getSelectionMask()) if __name__ == "__main__": import argparse parser = argparse.ArgumentParser( description='PyMca image mask authoring tool.') parser.add_argument( '-b', '--backend', choices=('mpl', 'opengl'), help="""The plot backend to use: Matplotlib (mpl, the default), OpenGL 2.1 (opengl, requires appropriate OpenGL drivers).""") parser.add_argument('filename', default='', nargs='?', help='Image filename to open') args = parser.parse_args() test(args.filename, args.backend) PyMca5-5.2.2/PyMca5/PyMcaGui/plotting/Q4PyMcaPrintPreview.py0000644000276300001750000007402213136054446023521 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2015 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os from PyMca5.PyMcaGui import PyMcaQt as qt DEBUG = 0 __revision__="$Revision: 1.7 $" # TODO: # - automatic picture centering # - print quality QTVERSION = qt.qVersion() ################################################################################ ################## PyMcaPrintPreview ################### ################################################################################ class PyMcaPrintPreview(qt.QDialog): def __init__(self, parent = None, printer = None, name = "PyMcaPrintPreview", \ modal = 0, fl = 0): qt.QDialog.__init__(self, parent) self.setWindowTitle(name) self.setModal(modal) self.resize(400, 500) self.printDialog = None self._toBeCleared = False self._svgItems = [] self.printer = printer """ if printer is None: printer = qt.QPrinter(qt.QPrinter.HighResolution) printer.setPageSize(qt.QPrinter.A4) printerName = "%s" % printer.printerName() if printerName in ['id24b2u']: #id24 printer very slow in color mode printer.setColorMode(qt.QPrinter.GrayScale) printer.setFullPage(True) if (printer.width() <= 0) or (printer.height() <= 0): if QTVERSION < '4.2.0': #this is impossible (no QGraphicsView) filename = "PyMCA_print.pdf" else: filename = "PyMCA_print.ps" if sys.platform == 'win32': home = os.getenv('USERPROFILE') try: l = len(home) directory = os.path.join(home,"My Documents") except: home = '\\' directory = '\\' if os.path.isdir('%s' % directory): directory = os.path.join(directory,"PyMca") else: directory = os.path.join(home,"PyMca") if not os.path.exists('%s' % directory): os.mkdir('%s' % directory) finalfile = os.path.join(directory, filename) else: home = os.getenv('HOME') directory = os.path.join(home,"PyMca") if not os.path.exists('%s' % directory): os.mkdir('%s' % directory) finalfile = os.path.join(directory, filename) printer.setOutputFileName(finalfile) printer.setColorMode(qt.QPrinter.Color) """ self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(0) self._buildToolbar() self.scene = None self.page = None self.view = None self._viewScale = 1.0 self.badNews = None def exec_(self): if self._toBeCleared: self.__clearAll() return qt.QDialog.exec_(self) def raise_(self): if self._toBeCleared: self.__clearAll() return qt.QDialog.raise_(self) def show(self): if self._toBeCleared: self.__clearAll() return qt.QDialog.show(self) def setOutputFileName(self, name): if self.printer is not None: self.printer.setOutputFileName(name) else: raise IOError("setOutputFileName : a printer must be defined before") def _buildToolbar(self): # --- command buttons # buttonSize = 65 toolBar = qt.QWidget(self) # a layout for the toolbar toolsLayout = qt.QHBoxLayout(toolBar) toolsLayout.setContentsMargins(0, 0, 0, 0) toolsLayout.setSpacing(0) # Margin # marginLabel = qt.QLabel("Margins:", toolBar) # if QTVERSION < '4.0.0': # self.marginSpin = qt.QSpinBox(0, 50, 10, toolBar) # else: # self.marginSpin = qt.QSpinBox(toolBar) # self.marginSpin.setRange(0, 50) # self.marginSpin.setSingleStep(10) # self.marginSpin.valueChanged[int].connect( \ # self.__marginChanged) # Scale / Zoom # scaleLabel = qt.QLabel("Zoom:", toolBar) # scaleCombo = qt.QComboBox(toolBar) # self.scaleValues = [20, 40, 60, 80, 100, 150, 200] # # for scale in self.scaleValues: # scaleCombo.addItem("%3d %%"%scale) # # self.scaleCombo = scaleCombo # self.scaleCombo.activated[int].connect(self.__scaleChanged) hideBut = qt.QPushButton("Hide", toolBar) #hideBut.setFixedWidth(buttonSize-10) hideBut.clicked.connect(self.hide) cancelBut = qt.QPushButton("Clear All", toolBar) #cancelBut.setFixedWidth(buttonSize+10) cancelBut.clicked.connect(self.__clearAll) removeBut = qt.QPushButton("Remove", toolBar) #removeBut.setFixedWidth(buttonSize) removeBut.clicked.connect(self.__remove) setupBut = qt.QPushButton("Setup", toolBar) #setupBut.setFixedWidth(buttonSize-5) setupBut.clicked.connect(self.setup) printBut = qt.QPushButton("Print", toolBar) #printBut.setFixedWidth(buttonSize-5) printBut.clicked.connect(self.__print) zoomPlusBut = qt.QPushButton("Zoom +", toolBar) #zoomPlusBut.setFixedWidth(buttonSize-5) zoomPlusBut.clicked.connect(self.__zoomPlus) zoomMinusBut = qt.QPushButton("Zoom -", toolBar) #zoomMinusBut.setFixedWidth(buttonSize-5) zoomMinusBut.clicked.connect(self.__zoomMinus) # now we put widgets in the toolLayout toolsLayout.addWidget(hideBut) toolsLayout.addWidget(printBut) toolsLayout.addWidget(cancelBut) toolsLayout.addWidget(removeBut) toolsLayout.addWidget(setupBut) #toolsLayout.addStretch() #toolsLayout.addWidget(marginLabel) #toolsLayout.addWidget(self.marginSpin) toolsLayout.addStretch() #toolsLayout.addWidget(scaleLabel) #toolsLayout.addWidget(scaleCombo) toolsLayout.addWidget(zoomPlusBut) toolsLayout.addWidget(zoomMinusBut) #toolsLayout.addStretch() self.toolBar = toolBar self.mainLayout.addWidget(self.toolBar) def _buildStatusBar(self): # status bar statusBar = qt.QStatusBar(self) self.targetLabel = qt.QLabel(statusBar) self.__updateTargetLabel() statusBar.addWidget(self.targetLabel) self.mainLayout.addWidget(statusBar) def __updateTargetLabel(self): if self.printer is None: self.targetLabel.setText("???") return if hasattr(qt, "QString"): if len(self.printer.outputFileName()): self.targetLabel.setText(qt.QString("File:").append( self.printer.outputFileName())) else: self.targetLabel.setText(qt.QString("Printer:").append( self.printer.printerName())) else: if len(self.printer.outputFileName()): self.targetLabel.setText("File:"+\ self.printer.outputFileName()) else: self.targetLabel.setText("Printer:"+\ self.printer.printerName()) def __print(self): printer = self.printer painter = qt.QPainter() try: if not(painter.begin(printer)): print("CANOT INITIALIZE PRINTER") return 0 self.scene.render(painter, qt.QRectF(0, 0, printer.width(), printer.height()), qt.QRectF(self.page.rect().x(), self.page.rect().y(), self.page.rect().width(),self.page.rect().height()), qt.Qt.KeepAspectRatio) painter.end() self.hide() self.accept() self._toBeCleared = True except: painter.end() qt.QMessageBox.critical(self, "ERROR", 'Printing problem:\n %s' % sys.exc_info()[1]) return def __scaleChanged(self, value): if DEBUG: print("current scale = ", self._viewScale) if value > 2: self.view.scale(1.20, 1.20) else: self.view.scale(0.80, 0.80) def __zoomPlus(self): if DEBUG: print("current scale = ", self._viewScale) self._viewScale *= 1.20 self.view.scale(1.20, 1.20) def __zoomMinus(self): if DEBUG: print("current scale = ", self._viewScale) self._viewScale *= 0.80 self.view.scale(0.80, 0.80) def addImage(self, image, title = None, comment = None, commentPosition=None): """ add an image item to the print preview scene """ self.addPixmap(qt.QPixmap.fromImage(image), title = title, comment = comment, commentPosition=commentPosition) def addPixmap(self, pixmap, title = None, comment = None, commentPosition=None): """ add a pixmap to the print preview scene """ if self._toBeCleared: self.__clearAll() if self.printer is None: self.setup() if title is None: title = ' ' title += ' ' if comment is None: comment = ' ' comment += ' ' if commentPosition is None: commentPosition = "CENTER" if self.badNews: return if QTVERSION < "5.0": rectItem = qt.QGraphicsRectItem(self.page, self.scene) else: rectItem = qt.QGraphicsRectItem(self.page) scale = 1.0 # float(0.5 * self.scene.width()/pixmap.width()) rectItem.setRect(qt.QRectF(1, 1, pixmap.width(), pixmap.height())) pen = rectItem.pen() color = qt.QColor(qt.Qt.red) color.setAlpha(1) pen.setColor(color) rectItem.setPen(pen) rectItem.setZValue(1) rectItem.setFlag(qt.QGraphicsItem.ItemIsSelectable, True) rectItem.setFlag(qt.QGraphicsItem.ItemIsMovable, True) rectItem.setFlag(qt.QGraphicsItem.ItemIsFocusable, False) #I add the resize tool rectItemResizeRect = GraphicsResizeRectItem(rectItem, self.scene) rectItemResizeRect.setZValue(2) #I add a pixmap item if QTVERSION < "5.0": pixmapItem = qt.QGraphicsPixmapItem(rectItem, self.scene) else: pixmapItem = qt.QGraphicsPixmapItem(rectItem) pixmapItem.setPixmap(pixmap) #pixmapItem.moveBy(0, 0) pixmapItem.setZValue(0) #I add the title if QTVERSION < "5.0": textItem = qt.QGraphicsTextItem(title, rectItem, self.scene) else: textItem = qt.QGraphicsTextItem(title, rectItem) textItem.setTextInteractionFlags(qt.Qt.TextEditorInteraction) offset = 0.5 * textItem.boundingRect().width() textItem.moveBy(0.5 * pixmap.width() - offset, -20) textItem.setZValue(2) #I add the comment if QTVERSION < "5.0": commentItem = qt.QGraphicsTextItem(comment, rectItem, self.scene) else: commentItem = qt.QGraphicsTextItem(comment, rectItem) commentItem.setTextInteractionFlags(qt.Qt.TextEditorInteraction) offset = 0.5 * commentItem.boundingRect().width() if commentPosition.upper() == "LEFT": x = 1 else: x = 0.5 * pixmap.width() - offset commentItem.moveBy(x, pixmap.height()+20) commentItem.setZValue(2) #I should adjust text size here #textItem.scale(2,2) #commentItem.scale(2,2) if QTVERSION < "5.0": rectItem.scale(scale, scale) else: # the correct equivalent would be: # rectItem.setTransform(qt.QTransform.fromScale(scalex, scaley)) rectItem.setScale(scale) rectItem.moveBy(20 , 40) def isReady(self): if self.badNews: return False else: return True def addSvgItem(self, item, title = None, comment = None, commentPosition=None): if self._toBeCleared: self.__clearAll() if self.printer is None: self.setup() if self.badNews: # printer not properly initialized return if not isinstance(item, qt.QSvgRenderer): raise TypeError("addSvgItem: QSvgRenderer expected") if title is None: title = 50 * ' ' if comment is None: comment = 80 * ' ' if commentPosition is None: commentPosition = "CENTER" if 0 and hasattr(item, "_viewBox"): svgItem = GraphicsSvgItem(self.page) svgItem.setSharedRenderer(item) svgItem.setBoundingRect(item._viewBox) elif 1: svgItem = GraphicsSvgRectItem(item._viewBox, self.page) svgItem.setSvgRenderer(item) else: svgItem = qt.QGraphicsSvgItem(self.page) svgItem.setSharedRenderer(item) if hasattr(item, "_viewBox"): svgScaleX = item._viewBox.width()/svgItem.boundingRect().width() svgScaleY = item._viewBox.height()/svgItem.boundingRect().height() svgItem.scale(svgScaleX, svgScaleY) svgItem.setCacheMode(qt.QGraphicsItem.NoCache) svgItem.setZValue(0) svgItem.setFlag(qt.QGraphicsItem.ItemIsSelectable, True) svgItem.setFlag(qt.QGraphicsItem.ItemIsMovable, True) svgItem.setFlag(qt.QGraphicsItem.ItemIsFocusable, False) #I add the resize tool rectItemResizeRect = GraphicsResizeRectItem(svgItem, self.scene) rectItemResizeRect.setZValue(2) #make sure the life time of the item is enough to print it! self._svgItems.append(item) #I add the title if QTVERSION < '5.0': textItem = qt.QGraphicsTextItem(title, svgItem, self.scene) else: textItem = qt.QGraphicsTextItem(title, svgItem) textItem.setTextInteractionFlags(qt.Qt.TextEditorInteraction) offset = 0.5 * textItem.boundingRect().width() textItem.setZValue(1) textItem.setFlag(qt.QGraphicsItem.ItemIsMovable, True) #I add the comment dummyComment = 80 * "1" if QTVERSION < '5.0': commentItem = qt.QGraphicsTextItem(dummyComment, svgItem, self.scene) else: commentItem = qt.QGraphicsTextItem(dummyComment, svgItem) commentItem.setTextInteractionFlags(qt.Qt.TextEditorInteraction) scaleCalculationRect = qt.QRectF(commentItem.boundingRect()) commentItem.setPlainText(comment) commentItem.moveBy(svgItem.boundingRect().x(), svgItem.boundingRect().y() + svgItem.boundingRect().height()) commentItem.setZValue(1) scale = svgItem.boundingRect().width() / scaleCalculationRect.width() commentItem.setFlag(qt.QGraphicsItem.ItemIsMovable, True) if QTVERSION < "5.0": commentItem.scale(scale, scale) else: # the correct equivalent would be: # rectItem.setTransform(qt.QTransform.fromScale(scalex, scaley)) commentItem.setScale(scale) textItem.moveBy(svgItem.boundingRect().x()+\ 0.5 * svgItem.boundingRect().width() - offset * scale, svgItem.boundingRect().y()) if QTVERSION < "5.0": textItem.scale(scale, scale) else: # the correct equivalent would be: # rectItem.setTransform(qt.QTransform.fromScale(scalex, scaley)) textItem.setScale(scale) def setup(self): """ """ if self.printer is None: self.printer = qt.QPrinter() if (self.printDialog is None) or (not self.isReady()): self.printDialog = qt.QPrintDialog(self.printer, self) if self.printDialog.exec_(): if (self.printer.width() <= 0) or (self.printer.height() <= 0): self.message = qt.QMessageBox(self) self.message.setIcon(qt.QMessageBox.Critical) self.message.setText("Unknown library error \non printer initialization") self.message.setWindowTitle("Library Error") self.message.setModal(0) self.badNews = True self.printer = None return self.badNews = False self.printer.setFullPage(True) self.updatePrinter() else: if self.page is None: # not initialized self.badNews = True self.printer = None else: self.badNews = False def updatePrinter(self): if DEBUG: print("UPDATE PRINTER") printer = self.printer if self.scene is None: self.scene = qt.QGraphicsScene() self.scene.setBackgroundBrush(qt.QColor(qt.Qt.lightGray)) self.scene.setSceneRect(qt.QRectF(0,0, printer.width(), printer.height())) if self.page is None: self.page = qt.QGraphicsRectItem(0,0, printer.width(), printer.height()) self.page.setBrush(qt.QColor(qt.Qt.white)) self.scene.addItem(self.page) self.scene.setSceneRect(qt.QRectF(0,0, self.printer.width(), self.printer.height())) self.page.setPos(qt.QPointF(0.0, 0.0)) self.page.setRect(qt.QRectF(0,0, self.printer.width(), self.printer.height())) if self.view is None: self.view = qt.QGraphicsView(self.scene) self.mainLayout.addWidget(self.view) self._buildStatusBar() self.view.fitInView(self.page.rect(), qt.Qt.KeepAspectRatio) self._viewScale = 1.00 #self.view.scale(1./self._viewScale, 1./self._viewScale) #self.view.fitInView(self.page.rect(), qt.Qt.KeepAspectRatio) #self._viewScale = 1.00 self.__updateTargetLabel() def __cancel(self): """ """ self.reject() def __clearAll(self): """ Clear the print preview window, remove all items but and keep the page. """ itemlist = self.scene.items() keep = self.page while (len(itemlist) != 1): if itemlist.index(keep) == 0: self.scene.removeItem(itemlist[1]) else: self.scene.removeItem(itemlist[0]) itemlist = self.scene.items() self._svgItems = [] self._toBeCleared = False def __remove(self): """ """ itemlist = self.scene.items() i = None #this loop is not efficient if there are many items ... for item in itemlist: if item.isSelected(): i = itemlist.index(item) break if i is not None: self.scene.removeItem(item) #this line is not really needed because the list #should be deleted at the end of the method del itemlist[i] if hasattr(qt, 'QGraphicsSvgItem'): class GraphicsSvgItem(qt.QGraphicsSvgItem): def setBoundingRect(self, rect): self._rect = rect def boundingRect(self): return self._rect def paint(self, painter, *var, **kw): if not self.renderer().isValid(): print("Invalid renderer") return if self.elementId().isEmpty(): self.renderer().render(painter, self._rect) else: self.renderer().render(painter, self.elementId(), self._rect) class GraphicsSvgRectItem(qt.QGraphicsRectItem): def setSvgRenderer(self, renderer): self._renderer = renderer def paint(self, painter, *var, **kw): #self._renderer.render(painter, self._renderer._viewBox) self._renderer.render(painter, self.boundingRect()) class GraphicsResizeRectItem(qt.QGraphicsRectItem): def __init__(self, parent = None, scene = None, keepratio = True): if QTVERSION < '5.0': qt.QGraphicsRectItem.__init__(self, parent, scene) else: qt.QGraphicsRectItem.__init__(self, parent) #rect = parent.sceneBoundingRect() rect = parent.boundingRect() x = rect.x() y = rect.y() w = rect.width() h = rect.height() self._newRect = None self.keepRatio = keepratio self.setRect(qt.QRectF(x + w - 40, y + h - 40, 40, 40)) self.setAcceptHoverEvents(True) if DEBUG: self.setBrush(qt.QBrush(qt.Qt.white, qt.Qt.SolidPattern)) else: pen = qt.QPen() color = qt.QColor(qt.Qt.white) color.setAlpha(0) pen.setColor(color) pen.setStyle(qt.Qt.NoPen) self.setPen(pen) self.setBrush(color) self.setFlag(self.ItemIsMovable, True) self.show() def hoverEnterEvent(self, event): if self.parentItem().isSelected(): self.parentItem().setSelected(False) if self.keepRatio: self.setCursor(qt.QCursor(qt.Qt.SizeFDiagCursor)) else: self.setCursor(qt.QCursor(qt.Qt.SizeAllCursor)) self.setBrush(qt.QBrush(qt.Qt.yellow, qt.Qt.SolidPattern)) return qt.QGraphicsRectItem.hoverEnterEvent(self, event) def hoverLeaveEvent(self, event): self.setCursor(qt.QCursor(qt.Qt.ArrowCursor)) pen = qt.QPen() color = qt.QColor(qt.Qt.white) color.setAlpha(0) pen.setColor(color) pen.setStyle(qt.Qt.NoPen) self.setPen(pen) self.setBrush(color) return qt.QGraphicsRectItem.hoverLeaveEvent(self, event) def mouseDoubleClickEvent(self, event): if DEBUG: print("ResizeRect mouseDoubleClick") def mousePressEvent(self, event): if DEBUG: print("ResizeRect mousePress") if self._newRect is not None: self._newRect = None self.__point0 = self.pos() parent = self.parentItem() scene = self.scene() scene.clearSelection() rect = parent.rect() self._x = rect.x() self._y = rect.y() self._w = rect.width() self._h = rect.height() self._ratio = self._w /self._h if QTVERSION < "5.0": self._newRect = qt.QGraphicsRectItem(parent, scene) else: self._newRect = qt.QGraphicsRectItem(parent) self._newRect.setRect(qt.QRectF(self._x, self._y, self._w, self._h)) qt.QGraphicsRectItem.mousePressEvent(self, event) def mouseMoveEvent(self, event): if DEBUG: print("ResizeRect mouseMove") point1 = self.pos() deltax = point1.x() - self.__point0.x() deltay = point1.y() - self.__point0.y() if self.keepRatio: r1 = (self._w + deltax) / self._w r2 = (self._h + deltay) / self._h if r1 < r2: self._newRect.setRect(qt.QRectF(self._x, self._y, self._w + deltax, (self._w + deltax)/self._ratio)) else: self._newRect.setRect(qt.QRectF(self._x, self._y, (self._h + deltay)* self._ratio, self._h + deltay)) else: self._newRect.setRect(qt.QRectF(self._x, self._y, self._w + deltax, self._h + deltay)) qt.QGraphicsRectItem.mouseMoveEvent(self, event) def mouseReleaseEvent(self, event): if DEBUG: print("ResizeRect mouseRelease") point1 = self.pos() deltax = point1.x() - self.__point0.x() deltay = point1.y() - self.__point0.y() self.moveBy(-deltax, -deltay) parent = self.parentItem() if 0: #this works if no zoom at the viewport rect = parent.sceneBoundingRect() w = rect.width() h = rect.height() scalex = (w + deltax) / w scaley = (h + deltay) / h if self.keepRatio: scalex = min(scalex, scalex) parent.scale(scalex, scalex) else: parent.scale(scalex, scaley) else: #deduce it from the rect because it always work if (QTVERSION < "5.0") or self.keepRatio: scalex = self._newRect.rect().width()/ self._w scaley = scalex else: scalex = self._newRect.rect().width()/ self._w scaley = self._newRect.rect().height()/self._h if QTVERSION < "5.0": parent.scale(scalex, scaley) else: # the correct equivalent would be: # rectItem.setTransform(qt.QTransform.fromScale(scalex, scaley)) parent.setScale(scalex) self.scene().removeItem(self._newRect) self._newRect = None qt.QGraphicsRectItem.mouseReleaseEvent(self, event) ################################################################################ ##################### TEST -- PyMcaPrintPreview -- TEST ################## ################################################################################ def testPreview(): """ """ import sys import os if len(sys.argv) < 2: print("give an image file as parameter please.") sys.exit(1) if len(sys.argv) > 2: print("only one parameter please.") sys.exit(1) filename = sys.argv[1] if filename[-3:] == "svg": if 0: item = qt.QSvgWidget() item.load(filename) item.show() else: w = PyMcaPrintPreview( parent = None, printer = None, name = 'Print Prev', modal = 0, fl = 0) w.resize(400,500) item = qt.QGraphicsSvgItem(filename, w.page) item.setFlag(qt.QGraphicsItem.ItemIsMovable, True) item.setCacheMode(qt.QGraphicsItem.NoCache) sys.exit(w.exec_()) w = PyMcaPrintPreview( parent = None, modal=0) # we need to initialize a printer to get a proper page w.setup() w.resize(400,500) comment = "" for i in range(20): comment += "Line number %d: En un lugar de La Mancha de cuyo nombre ...\n" w.addPixmap(qt.QPixmap.fromImage(qt.QImage(filename)), title=filename, comment=comment, commentPosition="CENTER") w.addImage(qt.QImage(filename), comment=comment, commentPosition="LEFT") #w.addImage(qt.QImage(filename)) w.exec_() def testSimple(): import sys import os filename = sys.argv[1] w = qt.QWidget() l = qt.QVBoxLayout(w) button = qt.QPushButton(w) button.setText("Print") scene = qt.QGraphicsScene() pixmapItem = qt.QGraphicsPixmapItem(qt.QPixmap.fromImage(qt.QImage(filename))) pixmapItem.setFlag(pixmapItem.ItemIsMovable, True) printer = qt.QPrinter(qt.QPrinter.HighResolution) printer.setFullPage(True) printer.setOutputFileName(os.path.splitext(filename)[0]+".ps") page = qt.QGraphicsRectItem(0,0, printer.width(), printer.height()) scene.setSceneRect(qt.QRectF(0,0, printer.width(), printer.height())) scene.addItem(page) scene.addItem(pixmapItem) view = qt.QGraphicsView(scene) view.fitInView(page.rect(), qt.Qt.KeepAspectRatio) #view.setSceneRect( view.scale(2, 2) #page.scale(0.05, 0.05) def printFile(): painter = qt.QPainter(printer) scene.render(painter, qt.QRectF(0, 0, printer.width(), printer.height()), qt.QRectF(page.rect().x(), page.rect().y(), page.rect().width(),page.rect().height()), qt.Qt.KeepAspectRatio) painter.end() l.addWidget(button) l.addWidget(view) w.resize(300, 600) w.show() button.clicked.connect(printFile) ## MAIN if __name__ == '__main__': a = qt.QApplication(sys.argv) testPreview() # a.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/plotting/SilxMaskImageWidget.py0000644000276300001750000011633013136054446023565 0ustar solebliss00000000000000# /*######################################################################### # Copyright (C) 2004-2017 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # # ###########################################################################*/ """:class:`SilxMaskImageWidget` uses a silx PlotWidget to display a stack, while offering the same tools as the :class:`StackRoiWindow` (median filter, background subtraction, ...). In addition to reimplementing existing tools, it also provides methods to plot a background image underneath the stack images. """ __authors__ = ["P. Knobel"] __license__ = "MIT" import copy import numpy import os from PyMca5.PyMcaMath.PyMcaSciPy.signal.median import medfilt2d from PyMca5.PyMcaGui import PyMcaQt as qt if hasattr(qt, "QString"): QString = qt.QString else: QString = str from PyMca5.PyMcaGui.plotting.PyMca_Icons import IconDict from PyMca5.PyMcaIO import ArraySave from PyMca5.PyMcaCore import PyMcaDirs try: from PyMca5.PyMcaGui.pymca import QPyMcaMatplotlibSave except ImportError: QPyMcaMatplotlibSave = None # temporarily disable logging when importing silx and fabio import logging logging.basicConfig() logging.disable(logging.ERROR) import silx from silx.gui.plot import PlotWidget from silx.gui.plot import PlotActions from silx.gui.plot import PlotToolButtons from silx.gui.plot.MaskToolsWidget import MaskToolsWidget, MaskToolsDockWidget from silx.gui.plot.AlphaSlider import NamedImageAlphaSlider from silx.gui.plot.Profile import ProfileToolBar from silx.gui import icons logging.disable(logging.NOTSET) # restore default logging behavior def convertToRowAndColumn(x, y, shape, xScale=None, yScale=None, safe=True): """Return (row, column) of a pixel defined by (x, y) in an image. :param float x: Abscissa of point :param float x: Ordinate of point :param shape: Shape of image (nRows, nColumns) :param xScale: Tuple of linear scaling parameters (a, b), x = a + b * column :param yScale: Tuple of linear scaling parameters (a, b), y = a + b * row :param bool safe: If True, always return coordinates within the image's bounds. :return: 2-tuple (r, c) """ if xScale is None: c = x else: c = (x - xScale[0]) / xScale[1] if yScale is None: r = y else: r = (y - yScale[0]) / yScale[1] if safe: c = min(int(c), shape[1] - 1) c = max(c, 0) r = min(int(r), shape[0] - 1) r = max(r, 0) else: c = int(c) r = int(r) return r, c class MyMaskToolsWidget(MaskToolsWidget): """Backport of the setSelectionMask behavior implemented in silx 0.6.0, to synchronize mask parameters with the active image.""" def setSelectionMask(self, mask, copy=True): """Set the mask to a new array. :param numpy.ndarray mask: The array to use for the mask. :type mask: numpy.ndarray of uint8 of dimension 2, C-contiguous. Array of other types are converted. :param bool copy: True (the default) to copy the array, False to use it as is if possible. :return: None if failed, shape of mask as 2-tuple if successful. The mask can be cropped or padded to fit active image, the returned shape is that of the active image. """ mask = numpy.array(mask, copy=False, dtype=numpy.uint8) if len(mask.shape) != 2: # _logger.error('Not an image, shape: %d', len(mask.shape)) return None # ensure all mask attributes are synchronized with the active image activeImage = self.plot.getActiveImage() if activeImage is not None and activeImage.getLegend() != self._maskName: self._activeImageChanged() self.plot.sigActiveImageChanged.connect(self._activeImageChanged) if self._data.shape[0:2] == (0, 0) or mask.shape == self._data.shape[0:2]: self._mask.setMask(mask, copy=copy) self._mask.commit() return mask.shape else: resizedMask = numpy.zeros(self._data.shape[0:2], dtype=numpy.uint8) height = min(self._data.shape[0], mask.shape[0]) width = min(self._data.shape[1], mask.shape[1]) resizedMask[:height, :width] = mask[:height, :width] self._mask.setMask(resizedMask, copy=False) self._mask.commit() return resizedMask.shape class MyMaskToolsDockWidget(MaskToolsDockWidget): """ Regular MaskToolsDockWidget if silx version is at least 0.6.0, else it uses a backported MaskToolsWidget """ def __init__(self, parent=None, plot=None, name='Mask'): super(MyMaskToolsDockWidget, self).__init__(parent, plot, name) if silx.version < "0.6": self.setWidget(MyMaskToolsWidget(plot=plot)) self.widget().sigMaskChanged.connect(self._emitSigMaskChanged) class SaveImageListAction(qt.QAction): """Save current image and mask (if any) in a :class:`MaskImageWidget` to EDF or CSV""" def __init__(self, title, maskImageWidget, clipped=False, subtract=False): super(SaveImageListAction, self).__init__(QString(title), maskImageWidget) self.maskImageWidget = maskImageWidget self.triggered[bool].connect(self.onTrigger) self.outputDir = PyMcaDirs.outputDir """Default output dir. After each save operation, this is updated to re-use the same folder for next save.""" self.clipped = clipped """If True, clip data range to colormap min and max.""" self.subtract = subtract """If True, subtract data min value.""" def onTrigger(self): filename, saveFilter = self.getOutputFileNameFilter() if not filename: return if filename.lower().endswith(".csv"): csvseparator = "," if "," in saveFilter else\ ";" if ";" in saveFilter else\ "\t" else: csvseparator = None images, labels = self.getImagesLabels() self.saveImageList(filename, images, labels, csvseparator) def saveImageList(self, filename, imageList, labels, csvseparator=None): if not imageList: qt.QMessageBox.information( self, "No Data", "Image list is empty.\nNothing to be saved") return if filename.lower().endswith(".edf"): ArraySave.save2DArrayListAsEDF(imageList, filename, labels) elif filename.lower().endswith(".csv"): assert csvseparator is not None ArraySave.save2DArrayListAsASCII(imageList, filename, labels, csv=True, csvseparator=csvseparator) else: ArraySave.save2DArrayListAsASCII(imageList, filename, labels, csv=False) def getImagesLabels(self): """Return images to be saved and corresponding labels. Images are: - image currently displayed clipped to visible colormap range - mask If :attr:`subtract` is True, subtract the minimum image sample value to all samples.""" imageList = [] labels = [] imageData = self.maskImageWidget.getImageData() colormapDict = self.maskImageWidget.getCurrentColormap() label = self.maskImageWidget.plot.getGraphTitle() if not label: label = "Image01" label.replace(' ', '_') if self.clipped and colormapDict is not None: autoscale = colormapDict['autoscale'] if not autoscale: vmin = colormapDict['vmin'] vmax = colormapDict['vmax'] imageData = imageData.clip(vmin, vmax) label += ".clip(%f,%f)" % (vmin, vmax) if self.subtract: vmin = imageData.min() imageData = imageData - vmin label += "-%f" % vmin imageList.append(imageData) labels.append(label) mask = self.maskImageWidget.getSelectionMask() if mask is not None and mask.max() > 0: imageList.append(mask) labels.append(label + "_Mask") return imageList, labels def getOutputFileNameFilter(self): """Open a file dialog to get the output file name, and return the file name and the selected format filter. Remember output directory in attribute :attr:`outputDir`""" if os.path.exists(self.outputDir): initdir = self.outputDir else: # folder deleted, reset initdir = PyMcaDirs.outputDir filedialog = qt.QFileDialog(self.maskImageWidget) filedialog.setFileMode(filedialog.AnyFile) filedialog.setAcceptMode(qt.QFileDialog.AcceptSave) filedialog.setWindowIcon(qt.QIcon(qt.QPixmap(IconDict["gioconda16"]))) formatlist = ["ASCII Files *.dat", "EDF Files *.edf", 'CSV(, separated) Files *.csv', 'CSV(; separated) Files *.csv', 'CSV(tab separated) Files *.csv'] if hasattr(qt, "QStringList"): strlist = qt.QStringList() else: strlist = [] for f in formatlist: strlist.append(f) saveFilter = formatlist[0] if hasattr(filedialog, "setFilters"): filedialog.setFilters(strlist) filedialog.selectFilter(saveFilter) else: filedialog.setNameFilters(strlist) filedialog.selectNameFilter(saveFilter) filedialog.setDirectory(initdir) ret = filedialog.exec_() if not ret: return "", "" filename = filedialog.selectedFiles()[0] if filename: filename = qt.safe_str(filename) self.outputDir = os.path.dirname(filename) if hasattr(filedialog, "selectedFilter"): saveFilter = qt.safe_str(filedialog.selectedFilter()) else: saveFilter = qt.safe_str(filedialog.selectedNameFilter()) filterused = "." + saveFilter[-3:] PyMcaDirs.outputDir = os.path.dirname(filename) if len(filename) < 4 or filename[-4:] != filterused: filename += filterused else: filename = "" return filename, saveFilter class SaveMatplotlib(qt.QAction): """Save current image and mask (if any) in a :class:`MaskImageWidget` to EDF or CSV""" def __init__(self, title, maskImageWidget): super(SaveMatplotlib, self).__init__(QString(title), maskImageWidget) self.maskImageWidget = maskImageWidget self.triggered[bool].connect(self.onTrigger) self._matplotlibSaveImage = None def onTrigger(self): imageData = self.maskImageWidget.getImageData() if self._matplotlibSaveImage is None: self._matplotlibSaveImage = QPyMcaMatplotlibSave.SaveImageSetup( None, image=None) title = "Matplotlib " + self.maskImageWidget.plot.getGraphTitle() self._matplotlibSaveImage.setWindowTitle(title) ddict = self._matplotlibSaveImage.getParameters() colormapDict = self.maskImageWidget.getCurrentColormap() if colormapDict is not None: autoscale = colormapDict['autoscale'] vmin = colormapDict['vmin'] vmax = colormapDict['vmax'] colormapType = colormapDict['normalization'] # 'log' or 'linear' if colormapType == 'log': colormapType = 'logarithmic' ddict['linlogcolormap'] = colormapType if not autoscale: ddict['valuemin'] = vmin ddict['valuemax'] = vmax else: ddict['valuemin'] = 0 ddict['valuemax'] = 0 # this sets the actual dimensions origin = self.maskImageWidget._origin delta = self.maskImageWidget._deltaXY ddict['xpixelsize'] = delta[0] ddict['xorigin'] = origin[0] ddict['ypixelsize'] = delta[1] ddict['yorigin'] = origin[1] ddict['xlabel'] = self.maskImageWidget.plot.getGraphXLabel() ddict['ylabel'] = self.maskImageWidget.plot.getGraphYLabel() limits = self.maskImageWidget.plot.getGraphXLimits() ddict['zoomxmin'] = limits[0] ddict['zoomxmax'] = limits[1] limits = self.maskImageWidget.plot.getGraphYLimits() ddict['zoomymin'] = limits[0] ddict['zoomymax'] = limits[1] self._matplotlibSaveImage.setParameters(ddict) self._matplotlibSaveImage.setImageData(imageData) self._matplotlibSaveImage.show() self._matplotlibSaveImage.raise_() class SaveToolButton(qt.QToolButton): def __init__(self, parent=None, maskImageWidget=None): """ :param maskImageWidget: Parent SilxMaskImageWidget """ qt.QToolButton.__init__(self, parent) self.maskImageWidget = maskImageWidget self.setIcon(icons.getQIcon("document-save")) self.clicked.connect(self._saveToolButtonSignal) self.setToolTip('Save Graph') self._saveMenu = qt.QMenu() self._saveMenu.addAction( SaveImageListAction("Image Data", self.maskImageWidget)) self._saveMenu.addAction( SaveImageListAction("Colormap Clipped Seen Image Data", self.maskImageWidget, clipped=True)) self._saveMenu.addAction( SaveImageListAction("Clipped and Subtracted Seen Image Data", self.maskImageWidget, clipped=True, subtract=True)) # standard silx save action self._saveMenu.addAction(PlotActions.SaveAction( plot=self.maskImageWidget.plot, parent=self)) if QPyMcaMatplotlibSave is not None: self._saveMenu.addAction(SaveMatplotlib("Matplotlib", self.maskImageWidget)) def _saveToolButtonSignal(self): self._saveMenu.exec_(self.parent().cursor().pos()) class MedianParameters(qt.QWidget): def __init__(self, parent=None): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QHBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) self.label = qt.QLabel(self) self.label.setText("Median filter width: ") self.widthSpin = qt.QSpinBox(self) self.widthSpin.setMinimum(1) self.widthSpin.setMaximum(99) self.widthSpin.setValue(1) self.widthSpin.setSingleStep(2) self.mainLayout.addWidget(self.label) self.mainLayout.addWidget(self.widthSpin) class SilxMaskImageWidget(qt.QMainWindow): """Main window with a plot widget, a toolbar and a slider. A list of images can be set with :meth:`setImages`. The mask can be accessed through getter and setter methods: :meth:`setSelectionMask` and :meth:`getSelectionMask`. The plot widget can be accessed as :attr:`plot`. It is a silx plot widget. The toolbar offers some basic interaction tools: zoom control, colormap, aspect ratio, y axis orientation, "save image" menu and a mask widget. """ sigMaskImageWidget = qt.pyqtSignal(object) def __init__(self, parent=None): qt.QMainWindow.__init__(self, parent=parent) if parent is not None: # behave as a widget self.setWindowFlags(qt.Qt.Widget) else: self.setWindowTitle("PyMca - Image Selection Tool") centralWidget = qt.QWidget(self) layout = qt.QVBoxLayout(centralWidget) centralWidget.setLayout(layout) layout.setContentsMargins(0, 0, 0, 0) layout.setSpacing(0) # Plot self.plot = PlotWidget(parent=centralWidget) self.plot.setWindowFlags(qt.Qt.Widget) self.plot.setDefaultColormap({'name': 'temperature', 'normalization': 'linear', 'autoscale': True, 'vmin': 0., 'vmax': 1.}) layout.addWidget(self.plot) # Mask Widget self._maskToolsDockWidget = None # Image selection slider self.slider = qt.QSlider(self.centralWidget()) self.slider.setOrientation(qt.Qt.Horizontal) self.slider.setMinimum(0) self.slider.setMaximum(0) layout.addWidget(self.slider) self.slider.valueChanged[int].connect(self.showImage) # ADD/REMOVE/REPLACE IMAGE buttons buttonBox = qt.QWidget(self) buttonBoxLayout = qt.QHBoxLayout(buttonBox) buttonBoxLayout.setContentsMargins(0, 0, 0, 0) buttonBoxLayout.setSpacing(0) self.addImageButton = qt.QPushButton(buttonBox) icon = qt.QIcon(qt.QPixmap(IconDict["rgb16"])) self.addImageButton.setIcon(icon) self.addImageButton.setText("ADD IMAGE") self.addImageButton.setToolTip("Add image to RGB correlator") buttonBoxLayout.addWidget(self.addImageButton) self.removeImageButton = qt.QPushButton(buttonBox) self.removeImageButton.setIcon(icon) self.removeImageButton.setText("REMOVE IMAGE") self.removeImageButton.setToolTip("Remove image from RGB correlator") buttonBoxLayout.addWidget(self.removeImageButton) self.replaceImageButton = qt.QPushButton(buttonBox) self.replaceImageButton.setIcon(icon) self.replaceImageButton.setText("REPLACE IMAGE") self.replaceImageButton.setToolTip( "Replace all images in RGB correlator with this one") buttonBoxLayout.addWidget(self.replaceImageButton) self.addImageButton.clicked.connect(self._addImageClicked) self.removeImageButton.clicked.connect(self._removeImageClicked) self.replaceImageButton.clicked.connect(self._replaceImageClicked) layout.addWidget(buttonBox) # median filter widget self._medianParameters = {'row_width': 1, 'column_width': 1} self._medianParametersWidget = MedianParameters(self) self._medianParametersWidget.widthSpin.setValue(1) self._medianParametersWidget.widthSpin.valueChanged[int].connect( self._setMedianKernelWidth) layout.addWidget(self._medianParametersWidget) self.setCentralWidget(centralWidget) # Init actions self.group = qt.QActionGroup(self) self.group.setExclusive(False) self.resetZoomAction = self.group.addAction( PlotActions.ResetZoomAction(plot=self.plot, parent=self)) self.addAction(self.resetZoomAction) self.zoomInAction = PlotActions.ZoomInAction(plot=self.plot, parent=self) self.addAction(self.zoomInAction) self.zoomOutAction = PlotActions.ZoomOutAction(plot=self.plot, parent=self) self.addAction(self.zoomOutAction) self.xAxisAutoScaleAction = self.group.addAction( PlotActions.XAxisAutoScaleAction(plot=self.plot, parent=self)) self.addAction(self.xAxisAutoScaleAction) self.yAxisAutoScaleAction = self.group.addAction( PlotActions.YAxisAutoScaleAction(plot=self.plot, parent=self)) self.addAction(self.yAxisAutoScaleAction) self.colormapAction = self.group.addAction( PlotActions.ColormapAction(plot=self.plot, parent=self)) self.addAction(self.colormapAction) self.copyAction = self.group.addAction( PlotActions.CopyAction(plot=self.plot, parent=self)) self.addAction(self.copyAction) self.group.addAction(self.getMaskAction()) # Init toolbuttons self.saveToolbutton = SaveToolButton(parent=self, maskImageWidget=self) self.yAxisInvertedButton = PlotToolButtons.YAxisOriginToolButton( parent=self, plot=self.plot) self.keepDataAspectRatioButton = PlotToolButtons.AspectToolButton( parent=self, plot=self.plot) self.backgroundButton = qt.QToolButton(self) self.backgroundButton.setCheckable(True) self.backgroundButton.setIcon(qt.QIcon(qt.QPixmap(IconDict["subtract"]))) self.backgroundButton.setToolTip( 'Toggle background image subtraction from current image\n' + 'No action if no background image available.') self.backgroundButton.clicked.connect(self._subtractBackground) # Creating the toolbar also create actions for toolbuttons self._toolbar = self._createToolBar(title='Plot', parent=None) self.addToolBar(self._toolbar) self._profile = ProfileToolBar(plot=self.plot) self.addToolBar(self._profile) self.setProfileToolbarVisible(False) # add a transparency slider for the stack data self._alphaSliderToolbar = qt.QToolBar("Alpha slider", parent=self) self._alphaSlider = NamedImageAlphaSlider(parent=self._alphaSliderToolbar, plot=self.plot, legend="current") self._alphaSlider.setOrientation(qt.Qt.Vertical) self._alphaSlider.setToolTip("Adjust opacity of stack image overlay") self._alphaSliderToolbar.addWidget(self._alphaSlider) self.addToolBar(qt.Qt.RightToolBarArea, self._alphaSliderToolbar) # hide optional tools and actions self.setAlphaSliderVisible(False) self.setBackgroundActionVisible(False) self.setMedianFilterWidgetVisible(False) self.setProfileToolbarVisible(False) self._images = [] """List of images, as 2D numpy arrays or 3D numpy arrays (RGB(A)). """ self._labels = [] """List of image labels. """ self._bg_images = [] """List of background images, as 2D numpy arrays or 3D numpy arrays (RGB(A)). These images are not active, their colormap cannot be changed and they cannot be the base image used for drawing a mask. """ self._bg_labels = [] self._deltaXY = (1.0, 1.0) # TODO: allow different scale and origin for each image """Current image scale (Xscale, Yscale) (in axis units per image pixel). The scale is adjusted to keep constant width and height for the image when a crop operation is applied.""" self._origin = (0., 0.) """Current image origin: coordinate (x, y) of sample located at (row, column) = (0, 0)""" # scales and origins for background images self._bg_deltaXY = [] self._bg_origins = [] def sizeHint(self): return qt.QSize(500, 400) def _createToolBar(self, title, parent): """Create a QToolBar with crop, rotate and flip operations :param str title: The title of the QMenu :param qt.QWidget parent: See :class:`QToolBar` """ toolbar = qt.QToolBar(title, parent) # Order widgets with actions objects = self.group.actions() # Add standard push buttons to list index = objects.index(self.colormapAction) objects.insert(index + 1, self.keepDataAspectRatioButton) objects.insert(index + 2, self.yAxisInvertedButton) objects.insert(index + 3, self.saveToolbutton) objects.insert(index + 4, self.backgroundButton) for obj in objects: if isinstance(obj, qt.QAction): toolbar.addAction(obj) else: # keep reference to toolbutton's action for changing visibility if obj is self.keepDataAspectRatioButton: self.keepDataAspectRatioAction = toolbar.addWidget(obj) elif obj is self.yAxisInvertedButton: self.yAxisInvertedAction = toolbar.addWidget(obj) elif obj is self.saveToolbutton: self.saveAction = toolbar.addWidget(obj) elif obj is self.backgroundButton: self.bgAction = toolbar.addWidget(obj) else: raise RuntimeError() return toolbar def _getMaskToolsDockWidget(self): """DockWidget with image mask panel (lazy-loaded).""" if self._maskToolsDockWidget is None: self._maskToolsDockWidget = MyMaskToolsDockWidget( plot=self.plot, name='Mask') self._maskToolsDockWidget.hide() self.addDockWidget(qt.Qt.RightDockWidgetArea, self._maskToolsDockWidget) # self._maskToolsDockWidget.setFloating(True) self._maskToolsDockWidget.sigMaskChanged.connect( self._emitMaskImageWidgetSignal) return self._maskToolsDockWidget def _setMedianKernelWidth(self, value): kernelSize = numpy.asarray(value) if len(kernelSize.shape) == 0: kernelSize = [kernelSize.item()] * 2 self._medianParameters['row_width'] = kernelSize[0] self._medianParameters['column_width'] = kernelSize[1] self._medianParametersWidget.widthSpin.setValue(int(kernelSize[0])) current = self.slider.value() self.showImage(current) def _subtractBackground(self): """When background button is clicked, this causes showImage to display the data after subtracting the stack background image. This background image is unrelated to the background images set with :meth:`setBackgroundImages`, it is simply the first data image whose label ends with 'background'.""" current = self.getCurrentIndex() self.showImage(current) def setBackgroundActionVisible(self, visible): """Set visibility of the background toolbar button. :param visible: True to show tool button, False to hide it. """ self.bgAction.setVisible(visible) def setProfileToolbarVisible(self, visible): """Set visibility of the profile toolbar :param visible: True to show toolbar, False to hide it. """ self._profile.setVisible(visible) def setMedianFilterWidgetVisible(self, visible): """Set visibility of the median filter parametrs widget. :param visible: True to show widget, False to hide it. """ self._medianParametersWidget.setVisible(visible) def setAlphaSliderVisible(self, visible): """Set visibility of the transparency slider widget in the right toolbar area. :param visible: True to show widget, False to hide it. """ self._alphaSliderToolbar.setVisible(visible) def setImagesAlpha(self, alpha): """Set the opacity of the images layer. Full opacity means that the background images layer will not be visible. :param float alpha: Opacity of images layer, in [0., 1.] """ self._alphaSlider.setValue(round(alpha * 255)) def getMaskAction(self): """QAction toggling image mask dock widget :rtype: QAction """ return self._getMaskToolsDockWidget().toggleViewAction() def _emitMaskImageWidgetSignal(self): mask = self.getSelectionMask() if not mask.size: # workaround to ignore the empty mask emitted when the mask widget # is initialized return self.sigMaskImageWidget.emit( {"event": "selectionMaskChanged", "current": self.getSelectionMask(), "id": id(self)}) def setSelectionMask(self, mask, copy=True): """Set the mask to a new array. :param numpy.ndarray mask: The array to use for the mask. Mask type: array of uint8 of dimension 2, Array of other types are converted. :param bool copy: True (the default) to copy the array, False to use it as is if possible. :return: None if failed, shape of mask as 2-tuple if successful. The mask can be cropped or padded to fit active image, the returned shape is that of the active image. """ if mask is None: mask = numpy.zeros_like(self._getMaskToolsDockWidget().getSelectionMask()) if not len(mask): return # disconnect temporarily to avoid infinite loop self._getMaskToolsDockWidget().sigMaskChanged.disconnect( self._emitMaskImageWidgetSignal) ret = self._getMaskToolsDockWidget().setSelectionMask(mask, copy=copy) self._getMaskToolsDockWidget().sigMaskChanged.connect( self._emitMaskImageWidgetSignal) return ret def getSelectionMask(self, copy=True): """Get the current mask as a 2D array. :param bool copy: True (default) to get a copy of the mask. If False, the returned array MUST not be modified. :return: The array of the mask with dimension of the 'active' image. If there is no active image, an empty array is returned. :rtype: 2D numpy.ndarray of uint8 """ return self._getMaskToolsDockWidget().getSelectionMask(copy=copy) @staticmethod def _RgbaToGrayscale(image): """Convert RGBA image to 2D array of grayscale values (Luma coding) :param image: RGBA image, as a numpy array of shapes (nrows, ncols, 3/4) :return: Image as a 2D array """ if len(image.shape) == 2: return image assert len(image.shape) == 3 imageData = image[:, :, 0] * 0.299 +\ image[:, :, 1] * 0.587 +\ image[:, :, 2] * 0.114 return imageData def getImageData(self): """Return current image data to be sent to RGB correlator :return: Image as a 2D array """ index = self.slider.value() image = self._images[index] return self._RgbaToGrayscale(image) def getFirstBgImageData(self): """Return first bg image data to be sent to RGB correlator :return: Image as a 2D array """ image = self._bg_images[0] return self._RgbaToGrayscale(image) def _addImageClicked(self): imageData = self.getImageData() ddict = { 'event': "addImageClicked", 'image': imageData, 'title': self.plot.getGraphTitle(), 'id': id(self)} self.sigMaskImageWidget.emit(ddict) def _replaceImageClicked(self): imageData = self.getImageData() ddict = { 'event': "replaceImageClicked", 'image': imageData, 'title': self.plot.getGraphTitle(), 'id': id(self)} self.sigMaskImageWidget.emit(ddict) def _removeImageClicked(self): imageData = self.getImageData() ddict = { 'event': "removeImageClicked", 'image': imageData, 'title': self.plot.getGraphTitle(), 'id': id(self)} self.sigMaskImageWidget.emit(ddict) def showImage(self, index=0): """Show data image corresponding to index. Update slider to index. """ if not self._images: return assert index < len(self._images) bg_index = None if self.backgroundButton.isChecked(): for i, imageName in enumerate(self._labels): if imageName.lower().endswith('background'): bg_index = i break mf_text = "" a = self._medianParameters['row_width'] b = self._medianParameters['column_width'] if max(a, b) > 1: mf_text = "MF(%d,%d) " % (a, b) imdata = self._getMedianData(self._images[index]) if bg_index is None: self.plot.setGraphTitle(mf_text + self._labels[index]) else: self.plot.setGraphTitle(mf_text + self._labels[index] + " Net") imdata -= self._images[bg_index] self.plot.addImage(imdata, legend="current", origin=self._origin, scale=self._deltaXY, replace=False, z=0) self.plot.setActiveImage("current") self.slider.setValue(index) def _getMedianData(self, data): data = copy.copy(data) if max(self._medianParameters['row_width'], self._medianParameters['column_width']) > 1: data = medfilt2d(data, [self._medianParameters['row_width'], self._medianParameters['column_width']]) return data def setImages(self, images, labels=None, origin=None, height=None, width=None): """Set the list of data images. All images share the same origin, width and height. :param images: List of 2D or 3D (for RGBA data) numpy arrays of image data. All images must have the same shape. :type images: List of ndarrays :param labels: list of image names :param origin: Image origin: coordinate (x, y) of sample located at (row, column) = (0, 0). If None, use (0., 0.) :param height: Image height in Y axis units. If None, use the image height in number of pixels. :param width: Image width in X axis units. If None, use the image width in number of pixels. """ self._images = images if labels is None: labels = ["Image %d" % (i + 1) for i in range(len(images))] self._labels = labels height_pixels, width_pixels = images[0].shape[0:2] height = height or height_pixels width = width or width_pixels self._deltaXY = (float(width) / width_pixels, float(height) / height_pixels) self._origin = origin or (0., 0.) current = self.slider.value() self.slider.setMaximum(len(self._images) - 1) if current < len(self._images): self.showImage(current) else: self.showImage(0) # _maskParamsCache = width, height, self._origin, self._deltaXY # if _maskParamsCache != self._maskParamsCache: # self._maskParamsCache = _maskParamsCache # self.resetMask(width, height, self._origin, self._deltaXY) def _updateBgScales(self, heights, widths): """Recalculate BG scales (e.g after a crop operation on :attr:`_bg_images`)""" self._bg_deltaXY = [] for w, h, img in zip(widths, heights, self._bg_images): self._bg_deltaXY.append( (float(w) / img.shape[1], float(h) / img.shape[0]) ) def setBackgroundImages(self, images, labels=None, origins=None, heights=None, widths=None): """Set the list of background images. Each image should be a tile and have an origin (x, y) tuple, a height and a width defined, so that all images can be plotted on the same background layer. :param images: List of 2D or 3D (for RGBA data) numpy arrays of image data. All images must have the same shape. :type images: List of ndarrays :param labels: list of image names :param origins: Images origins: list of coordinate tuples (x, y) of sample located at (row, column) = (0, 0). If None, use (0., 0.) for all images. :param height: Image height in Y axis units. If None, use the image height in number of pixels. :param width: Image width in X axis units. If None, use the image width in number of pixels. """ self._bg_images = images if labels is None: labels = ["Background image %d" % (i + 1) for i in range(len(images))] # delete existing images for label in self._bg_labels: self.plot.removeImage(label) self._bg_labels = labels if heights is None: heights = [image.shape[0] for image in images] else: assert len(heights) == len(images) if widths is None: widths = [image.shape[1] for image in images] else: assert len(widths) == len(images) if origins is None: origins = [(0, 0) for _img in images] else: assert len(origins) == len(images) self._bg_origins = origins self._updateBgScales(heights, widths) for bg_deltaXY, bg_orig, label, img in zip(self._bg_deltaXY, self._bg_origins, labels, images): # FIXME: we use z=-1 because the mask is always on z=1, # so the data must be on z=0. To be fixed after the silx mask # is improved self.plot.addImage(img, origin=bg_orig, scale=bg_deltaXY, legend=label, replace=False, z=-1) # TODO: z=0 def getCurrentIndex(self): """ :return: Index of slider widget used for image selection. """ return self.slider.value() def getCurrentColormap(self): """Return colormap dict associated with the current image. If the current image is a RGBA Image, return None. See doc of silx.gui.plot.Plot for an explanation about the colormap dictionary. """ image = self.plot.getImage(legend="current") if not hasattr(image, "getColormap"): # isinstance(image, silx.gui.plot.items.ImageRgba): return None return self.plot.getImage(legend="current").getColormap() def showAndRaise(self): self.show() self.raise_() if __name__ == "__main__": app = qt.QApplication([]) w = SilxMaskImageWidget() w.show() w.plot.addImage([[0, 1, 2], [2, 1, -1]]) app.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/plotting/PyMca_Icons.py0000644000276300001750000021111113136054446022060 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2017 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" aspect_ratio = [ #/* columns rows colors chars-per-pixel */ "32 32 5 1", " c #47463F", ". c #BA165D", "X c #2F3AB5", "o c #FFFFE8", "O c None", #/* pixels */ "OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO", "OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO", "OOXXXXXXXXXXXXXXXXXXXXXXXXXXXXOO", "OOXooooooooooooooooooooooooooXOO", "OOXo ...... ooooooooooooooooXOO", "OOXo. XXXXX. oooooooooooooXOO", "OOXo.XXXXXX.ooo oooooooooooXOO", "OOXo .. ....oooooo ooooooooXOO", "OOXo ooo ooo ooooooo oooooXOO", "OOXo ooo ooo ooooooooo ooXOO", "OOXoo oooo oXOO", "OOXoo oooo ................ oXOO", "OOXoo ooo ................ oXOO", "OOXooo ooo ..XXXXXXXXXXXX.. oXOO", "OOXooo ooo ..XXXXXXXXXXXX.. oXOO", "OOXooo ooo ..XXXXXXXXXXXX.. oXOO", "OOXoooo oo ..XXXXXXXXXXXX.. oXOO", "OOXoooo oo ..XXXXXXXXXXXX.. oXOO", "OOXoooo oo ..XXXXXXXXXXXX.. oXOO", "OOXooooo o ..XXXXXXXXXXXX.. oXOO", "OOXooooo o ..XXXXXXXXXXXX.. oXOO", "OOXooooo o ..XXXXXXXXXXXX.. oXOO", "OOXooooo ..XXXXXXXXXXXX.. oXOO", "OOXoooooo ..XXXXXXXXXXXX.. oXOO", "OOXoooooo ..XXXXXXXXXXXX.. oXOO", "OOXoooooo ................ oXOO", "OOXooooooo ................ oXOO", "OOXooooooo oXOO", "OOXooooooooooooooooooooooooooXOO", "OOXXXXXXXXXXXXXXXXXXXXXXXXXXXXOO", "OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO", "OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO" ] # --- scan window icons --- plugin = [ #columns rows colors chars-per-pixel "32 32 16 1", " c #000000", ". c #303030", "X c #585858", "o c #c05800", "O c #ff8000", "+ c #ffa858", "@ c #c0c000", "# c #ffff00", "$ c #808080", "% c #a0a0a0", "& c #ffdca8", "* c #c3c3c3", "= c #dcdcdc", "- c #ffffc0", "; c #ffffff", ": c None", # pixels "::::::::::::::::::::::: :::::::", ":::::::::::::::::::::: -& : :::", "::::::::::::::::::: &## &+ ::", ":::::::::::::::::: -&-&&#+&#o ::", ":::::::::::::::::: ###+#@#@+o ::", "::::::::::::::::::: &&#@ @O@O :", ":::::::::::::::::: -&#@ : o@+#+ ", "::::::::::: ::: &&## ::: #+@@ ", ":::::::::: ;;; :: ##@+# : &#@@ :", "::::: :::: ;;= ::: #@+@ #&+# ::", ":::: ; ;;;;= @+@+#&##+# :", "::: ;;;;;;;====;;;; #oO@+@@@## :", ":: ;;;;;;;===***%%% oo @@@ ::", "::: ;;;;;;===**%%%%$ : @@ :::::", "::: ;;;;====**%%%$%$ :: ::::::", "::: ;;;;==%XXX%%%%$$ ::::::::::", "::: ;;===%X X$$$$$$ ::::::::::", ": ;;;==%X ::: X$$%$%% ::::::::", " ;;;====X ::::: $$$%%%=* :::::::", " ;;;==**$ ::::: %$%%%%*$ :::::::", " ;===***% ::::: =%%%%$X$ :::::::", ": ****%%% ::: ;=%%%$X ::::::::", "::: **%%%%% ;;%%%*$ ::::::::::", "::: =%%%%$$%;;=%%%*=$ ::::::::::", "::: =%%%$$%$$%%%%***% ::::::::::", "::: =%%$$$$%%%%***=== ::::::::::", ":: **%$%$$%$%%%***==== :::::::::", "::: X .$%%%$X$%**= ::::::::::", ":::: X%%$X = :::::::::::", "::::: :::: %*$ :::: ::::::::::::", ":::::::::: %X$ :::::::::::::::::", "::::::::::: ::::::::::::::::::" ] crop =[ "16 16 2 1", " c none", ". c black", " ", " .. ", " .. ", " .. ", " .......... ", " .......... ", " .. .. ", " .. .. ", " .. .. ", " .. .. ", " .......... ", " .......... ", " .. ", " .. ", " .. ", " ", ] togglepoints =[ "16 16 2 1", " c none", ". c blue", " ", " . . ", " . . ", " . . ", " . . ", " . . ", " . ... ... ", " . . . ... ", " . ... ... ", " . . ", " . . ", " . . ", " . . ", " . . ", " . . ", " " ] square16 =[ "16 16 2 1", " c none", "X c blue", " ", " XXXXXXXXXXXXXX ", " X X ", " X X ", " X X ", " X X ", " X X ", " X X ", " X X ", " X X ", " X X ", " X X ", " X X ", " X X ", " XXXXXXXXXXXXXX ", " " ] rectangle16 =[ "16 16 2 1", " c none", "X c blue", " ", " ", " ", " XXXXXXXXXXXXXX ", " X X ", " X X ", " X X ", " X X ", " X X ", " X X ", " X X ", " X X ", " XXXXXXXXXXXXXX ", " ", " ", " " ] polygon16 =[ "16 16 2 1", " c none", "X c blue", " ", " XX ", " X X ", " X X ", " X X ", " X X ", " X X ", " X X ", " X X ", " X X ", " X X ", " X X ", " X X ", " X X ", " XXXXXXXXXXX ", " " ] circle16 =[ "16 16 2 1", " c none", "X c blue", " ", " XXXXXX ", " X X ", " X X ", " X X ", " X X ", " X X ", " X X ", " X X ", " X X ", " X X ", " X X ", " X X ", " X X ", " XXXXXX ", " " ] ellipse16 =[ "16 16 2 1", " c none", "X c blue", " ", " ", " ", " ", " XXXXXX ", " X X ", " X X ", " X X ", " X X ", " X X ", " X X ", " X X ", " XXXXXX ", " ", " ", " ", ] solid_circle16 =[ "16 16 2 1", " c none", "X c blue", " ", " XXXXXX ", " XXXXXXXX ", " XXXXXXXXXX ", " XXXXXXXXXXXX ", " XXXXXXXXXXXXXX ", " XXXXXXXXXXXXXX ", " XXXXXXXXXXXXXX ", " XXXXXXXXXXXXXX ", " XXXXXXXXXXXXXX ", " XXXXXXXXXXXXXX ", " XXXXXXXXXXXX ", " XXXXXXXXXX ", " XXXXXXXX ", " XXXXXX ", " " ] solid_ellipse16 =[ "16 16 2 1", " c none", "X c blue", " ", " ", " ", " ", " XXXXXX ", " XXXXXXXXXX ", " XXXXXXXXXXXX ", " XXXXXXXXXXXXXX ", " XXXXXXXXXXXXXX ", " XXXXXXXXXXXXXX ", " XXXXXXXXXXXX ", " XXXXXXXXXX ", " XXXXXX ", " ", " ", " ", ] subtract =[ "16 16 2 1", " c none", ". c blue", " ", " .......... ", " . . ", " . . ", " . . ", " . . ", " . . ", " .......... ", " . . ", " . . ", " . . ", " . . ", " . . ", " . . ", " .......... ", " " ] substract = subtract smooth = [ "16 16 3 1", "O c none", "* c yellow", ": c blue", "OOOOOOOOOOOOOOOO", "OOOO**OOO*:OOOOO", "OOOOO**O*::OOOOO", "OOOO::***:O:OOOO", "OOOO::O**OO:OOOO", "OOO:O:****OO:OOO", "OOO:OO*:O**O:OOO", "OO:OO**OOOOO:OOO", "OO:OO*OOOOOO:OOO", "O:OOOOOOOOOO::OO", "O:OOOOOOOOOOO:OO", "O:OOOOOOOOOOO::O", "OOOOOOOOOOOOOOOO", "OOOOOOOOOOOOOOOO", "OOOOOOOOOOOOOOOO", "OOOOOOOOOOOOOOOO" ] derive = [ "16 16 2 1", " c None", ". c blue", " ", " .. . ", " . . . ", " . ", " . ", " . ", " . . . ", " .. . . . . ", " . . . . . ", " . . . . ", " . . . . . ", " . . . . . ", " . . . ", " ", " ", " " ] swapsign = [ "16 16 3 1", " c None", ". c blue", "X c red", " ", " ", " XX ", " XXX XX ", " XXX XX XX ", " XX XXX ", " XXX ", " ", " .............. ", " ", " ... ", " .. ... ", " ... .. .. ", " ... .. ", " .. ", " " ] ymintozero = [ "16 16 3 1", " c None", "X c blue", ". c red", " ", " ", " ", " ", " XX ", " XXX XX ", " XXX XX XX ", " XX XXX ", " XX ", " XX ", " X............. ", " ", " ", " ", " ", " ", ] """ average16=[ "16 16 2 1", ". c blue", " c None", " ", " .............. ", " ", " .. .. ", " .. .. ", " .. .. ", " .. .. ", " .. .. ", " ... ", " .. ", " .. ", " .. ", " .. ", " .. ", " .. ", " " ] """ average16=[ "16 16 2 1", ". c blue", " c None", " ", " .............. ", " ", " . . ", " . . ", " . . ", " . . ", " . . ", " .. ", " . ", " . ", " . ", " . ", " . ", " . ", " " ] horizontal=[ "16 16 2 1", ". c blue", " c None", " ", " ", " ", " ", " ", " ", " ", " .............. ", " .............. ", " ", " ", " ", " ", " ", " ", " " ] vertical=[ "16 16 2 1", ". c blue", " c None", " ", " .. ", " .. ", " .. ", " .. ", " .. ", " .. ", " .. ", " .. ", " .. ", " .. ", " .. ", " .. ", " .. ", " .. ", " " ] diagonal =[ "16 16 2 1", ". c blue", " c None", " ", " .. ", " .. ", " .. ", " .. ", " .. ", " .. ", " .. ", " .. ", " .. ", " .. ", " .. ", " .. ", " .. ", " . ", " " ] # ------------------------- sliderson=[ "16 16 2 1", " c blue", ". c None", "................", "... ..... ....", ". .. .. ..", "... ..... ....", "................", "................", "... ..... ....", ". .. .. ..", "... ..... ....", "................", "................", "... ..... ....", ". .. .. ..", "... ..... ....", "................", "................" ] slidersoff = [ "16 16 3 1", " c blue", ". c red", "X c None", "XXXXXXXXXXXXXXXX", "X.. XXXXX XX.X", "X ..X XX ..X", "XXX..XXXXX ..XX", "XXXX..XXXXX..XXX", "XXXXX..XXX..XXXX", "XXX X..X.. XXXX", "X XX ...XX XX", "XXX XX... XXXX", "XXXXXX..X..XXXXX", "XXXXX..XXX..XXXX", "XXX ..XXXX ..XXX", "X .. XX..XX", "XX.. XXXXX X..X", "X..XXXXXXXXXXX.X", "XXXXXXXXXXXXXXXX" ] remove = [ "16 16 3 1", "O c #ffc0c0", "+ c None", "X c red", "++++++++++++++++", "+XX++++++++++XX+", "++XX+++++++OXX++", "+++XX+++++OXX+++", "++++XXO++OXX++++", "+++++XX.OXX+++++", "++++++XXXX++++++", "++++++OXX+++++++", "+++++OXXXX++++++", "++++OXX+OXX+++++", "+++OXX+++OXX++++", "+++XX+++++OXX+++", "++XX+++++++OXX++", "+XX++++++++++XX+", "++++++++++++++++", "++++++++++++++++" ] sigma=[ "16 16 2 1", " c blue", ". c None", "................", ".... ..", ".... ..........", "..... .........", "...... ........", "....... .......", "........ ......", "....... .......", "...... ........", "..... .........", ".... ..........", "... ...........", ".. ............", ". .............", ". ..", "................" ] normalize16=[ "16 16 2 1", " c none", ". c blue", " ", " ... ", " . . . ", " . . . . . ", " . . . . ", " . . . . . ", " ... . . ", " ", " .............. ", " ", " . . ", " .. . ", " . . . ", " . .. ", " . . ", " " ] #grid grid16 = [ "16 16 2 1", " c none", ". c blue", " ", " . . . ", " ............. ", " . . . ", " . . . ", " . . . ", " . . . ", " ............. ", " . . . ", " . . . ", " . . . ", " . . . ", " ............. ", " . . . 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", " I X._ 2 6 7 - o o , / ` ! ` ", " P P L T e , @ ; 0 K ~ E E ~ ", " m v n x n R ~ K T E Q Y Y W ", " " ] energy = [ "16 16 3 1", " c blue", ". c white", "X c None", "XXXXXXXXXXXXXXXX", "XXXXXXXXXXXXXXXX", "XXXXX XXXXX", "XXXXX XXXXXXXXXX", "XXXXX XXXXXXXXXX", "XXXXX XXXXXXXXXX", "XXXXX XXXXXXXXXX", "XXXXX XXXXXX", "XXXXX XXXXXXXXXX", "XXXXX XXXXXXXXXX", "XXXXX XXXXXXXXXX", "XXXXX XXXXXXXXXX", "XXXXX XXXXX", "XXXXXXXXXXXXXXXX", "XXXXXXXXXXXXXXXX", "XXXXXXXXXXXXXXXX" ] colormap16=[ "16 16 22 1", " c #000000", ". c #303030", "X c #004040", "o c #404000", "O c #000080", "+ c #008000", "@ c #00c000", "# c #008080", "$ c #00c0c0", "% c #c00000", "& c #c05800", "* c #ffa858", "= c #808080", "- c #a0a0a0", "; c #8080ff", ": c #ffdca8", "> c #c3c3c3", ", c #dcdcdc", "< c #c0c0ff", "1 c #c0ffc0", "2 c #c0ffff", "3 c None", #"3 c #ffffff", #/* pixels */ "333 33333333333", "33 3, 33333 333", "3 3,, 3333 ,> 33", " 3,3,3 33 ,,>> 3", " ,, > 33 ,>>, 3", " , 33 , 3 >;;O> ", " , 33 ,, ,>; ", " ,, o,,,,,>OOO> ", " ,,,,,,,,,,>>>> ", " ,,**&,,,,$$#> 3", " ,,*:&>-->$2#> 3", " >,&&%@@+-##X= 3", "3 ,,>@1+=>-- 33", "33 ,>>+++=,> 333", "333. ,,>-> 333", "33333 333333" ] MINEcolormap16 = [ "22 16 12 1", " c black", ". c navy", "X c blue", "o c #000080800000", "O c green", "+ c #000080808080", "@ c #808000000000", "# c red", "$ c yellow", "% c #808080808080", "& c #C0C0C0C0C0C0", #"* c gray100", "* c None", "**********************", "***&&&*********&&&&***", "**&*&&&********&&&&&**", "*&& ***&&****&&&&&O&&*", "*&* *** &&**&&&+OOO+&*", "*&&& ** &&&&&&&oOOO+&*", "*&&&& %&&&&&&&&&o++&&*", "**&&&&&&&&&&&&&&&&&&&*", "**&&&&%&&&&&&&&&XXX&&*", "**&&&#@#&&&&&&&.XXX.&*", "**&&@###&&%%%&&.XX.&**", "***&@##@&%$$$%&.X..&**", "***&%@@@&+$$$%&...&***", "****&&@&&+$$+%&&&&&***", "*****&&&&&ooo%&&&&****", "******&&&&&&&&&&******" ] colormap = colormap16 MINEcolormap = [ "16 16 157 2", " c black", ". c #32a230b6261c0000", "X c #2dd072373a280000", "o c #1b7a5e8a7e3e0000", "O c #0869714c720a0000", "+ c #44b0439e3f120000", "@ c #4d9943ac32ec0000", "# c #43d6445646fe0000", "$ c #4cd049da43d20000", "% c #4d8d4dca4d740000", "& c #50b84dd34c760000", "* c #5730550c4ba70000", "= c #572159e84b700000", "- c #5f1f5a5f46520000", "; c #562e53ea50ee0000", ": c #590f5766534b0000", "> c #5e475c7b59330000", ", c #5f745f9161d00000", "< c #62755e9d57b00000", "1 c #67086468556f0000", "2 c #643c636a5ce40000", "3 c #6bed68bf5bd60000", "4 c #728d6e1157d60000", "5 c #7028705770b60000", "6 c #737173a661300000", "7 c #737276576d9e0000", "8 c #7f857d106e1f0000", "9 c #77c4780f79440000", "0 c #7ce87cbd7b8f0000", "q c #05d573daadaa0000", "w c #54497b7b87e30000", "e c #39498f5045650000", "r c #500a9b725bac0000", "t c #5de187637ab20000", "y c #5cc2ac8864db0000", "u c #6e0f80fe6cd70000", "i c #6aa598bc62350000", "p c #6c7fb13f6fbb0000", "a c #1b70843fb5fd0000", "s c #33d39b4c9bdd0000", "d c #5990b350ac230000", "f c #61c7a2559a560000", "g c #74fea34891de0000", "h c #712bacd8bdfa0000", "j c #4c169fe6c1910000", "k c #7ffbb5dcc8ba0000", "l c #7631ce79cde30000", "z c #70c3cf69d1f90000", "x c #64cec217e82c0000", "c c #99d4133821f90000", "v c #87097e866f430000", "b c #a7b15b945a4e0000", "n c #c11e31ff3ea00000", "m c #cb363b2547800000", "M c #c2185dd763f70000", "N c #d89a60e866aa0000", "B c #e8ee5d0166230000", "V c #ed436e8875310000", "C c #86e381036d780000", "Z c #8a91814f70620000", "A c #887d859c73a20000", "S c #8e88843072ea0000", "D c #8d9b896e71b70000", "F c #8d1d959373fe0000", "G c #8ad89a61750c0000", "H c #940b83c06c6f0000", "J c #95478e1973fa0000", "K c #9fff80ad71230000", "L c #9551926a7af20000", "P c #9ce295857b390000", "I c #96fea16f78380000", "U c #b53d91177e3a0000", "Y c #8346833084190000", "T c #8ba28be48caf0000", "R c #9769946b8ba00000", "E c #9e9f9ae68c7e0000", "W c #94249411937e0000", "Q c #943ca01196c10000", "! c #9b7a9a0a96e00000", "~ c #9e1d9cd99c310000", "^ c #90c5acc6ab4e0000", "/ c #a0f29e208ed20000", "( c #a809a5398b520000", ") c #a632a2ab96640000", "_ c #a990a4c393650000", "` c #ae38b78093ba0000", "' c #b8ebad728ccf0000", "] c #b8edc05f9e730000", "[ c #ae65adfda2820000", "{ c #ab45ab14af050000", "} c #b439b6e5aa700000", "| c #bbb7b6d2aac20000", " . c #bd52bba3a6820000", ".. c #8ecec76694970000", "X. c #96aac4b6971a0000", "o. c #8b55c1c7ad490000", "O. c #892ec4ccb7af0000", "+. c #ac2cc2449bcc0000", "@. c #bc27c4caa3c10000", "#. c #b116c0e6b4190000", "$. c #bac9ef72b5220000", "%. c #83abd0e3f1770000", "&. c #c634984784310000", "*. c #db719fcb954a0000", "=. c #c159a96a8e280000", "-. c #c496b7829dac0000", ";. c #c5c4bbb7995f0000", ":. c #d8a5aa7e9c680000", ">. c #e4ffa5249a800000", ",. c #f6fdbc65b0b70000", "<. c #ca38c6a49d940000", "1. c #ce6bc815a7e80000", "2. c #cf0dc834ae850000", "3. c #c890c58ebf790000", "4. c #c564cc1cb2730000", "5. c #cfcfd972baff0000", "6. c #d66eca1da5130000", "7. c #da30cf78a97b0000", "8. c #d19ece63b8ac0000", "9. c #df6bd3e3af430000", "0. c #d754d705c0800000", "q. c #dabbd7b6c0540000", "w. c #e354cdd1a97f0000", "e. c #eaadd985afbb0000", "r. c #e517d6feba720000", "t. c #e3ecd8febb540000", "y. c #ed62d85ac08f0000", "u. c #c498c4c4c7500000", "i. c #cd3acdc3cf4a0000", "p. c #d7e8d692cc140000", "a. c #d511de75c37b0000", "s. c #df34d9e6c5190000", "d. c #e0aae0d5ca4a0000", "f. c #d629d578d6c00000", "g. c #dd7adce6dd6b0000", "h. c #e069e0e3e30e0000", "j. c #e3a6dc2dc7160000", "k. c #e7b1dd12cada0000", "l. c #eed2e041cf3f0000", "z. c #e3e1e2dbcc030000", "x. c #e743e4a7d8b20000", "c. c #eaa4e350d3e60000", "v. c #eb49e9a4d33b0000", "b. c #f968eb0cc8730000", "n. c #f622ecbbd45e0000", "m. c #f6edf0d3dd2c0000", "M. c #f7b2f2bddce30000", "N. c #fbf0f55cdb450000", "B. c #e7ace818e9910000", "V. c #e83fe902ea1a0000", "C. c #efffeba9e2bc0000", "Z. c #ec97ed28ed8b0000", "A. c #fa34f631eddf0000", "S. c #f6d9f74df80b0000", "D. c #f8e3f98ffa600000", "F. c #fefafef9fef30000", "G. c None", "G.F.D.G.F.G.D.F.G.F.G.D.F.G.D.F.", "G.F.G.T % W G.F.F.G.F.F.B.h.S.F.", "F.G.5 ! 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c #6f6f6e", ": c #b77d44", "> c #c4864e", ", c #e5a566", "< c #f8ac62", "1 c #8d8d8b", "2 c #949493", "3 c #9c9c9b", "4 c #a0a09f", "5 c #a4a4a3", "6 c #adadab", "7 c #b5b5b5", "8 c #bcbcbc", "9 c #fec383", "0 c #fec88a", "q c #fed39a", "w c #c4c4c3", "e c #cccccc", "r c #d4d4d3", "t c #dddddc", "y c #e4e4e3", "u c #e8e8e7", "i c #ececec", "p c gray96", "a c None", "aaaaaa aaaaaa", "aaaaa a a aa", "aaaa aaaaa aa", "aaaaaaaaaaa aa", "aaaaaaaaaa aa", "a aaaaaaaaaaa", " ,q9, aaaa", " q99<<<<<<<< aaa", " 09@&&&=&&**& ", " 9>%ppiytrew877+", " 9@ttuytrw8642$a", " :&ttytrew764-Oa", " @eerrrew8652$aa", " *e8www87653;Xaa", ".85666655321$aaa", "O$$$$$$$###+oaaa" ] fileprint = [ "16 16 37 1", " c black", ". c gray19", "X c gray22", "o c #4f4928", "O c #574934", "+ c #444444", "@ c #585858", "# c #646464", "$ c gray", "% c lime", "& c #b7996e", "* c #b9b24a", "= c #838383", "- c #8c8c8c", "; c #939393", ": c #9d9d9d", "> c #a1a1a1", ", c #b7b7b7", "< c #dfc097", "1 c #e8c08d", "2 c #e4cba9", "3 c #e7d3b9", "4 c #c3c3c3", "5 c #cacaca", "6 c gainsboro", "7 c #e9d9c5", "8 c #ecdfcc", "9 c #eee4d5", "0 c #f0e6d8", "q c gray89", "w c #f3ede4", "e c #f4eee8", "r c #f5f1eb", "t c #f7f6f4", "y c #f8f7f6", "u c #fdfdfd", "i c None", "iiiiiiiiO iiiii", "iiiiiiiOuu4O iii", "iiiiii wtytu8O i", "iiiiiiOtyytrw8< ", "iiii wtytrw98& ", "iii :O9weew08< i", "ii :@&1299873@oi", "i :>># &123<< *o", " :::::># #&&.*oi", "+6uq:::::># #o$ ", "+55q6uq;--==$$@ ", " >,455q6uq$$$@+ ", "i @>,455q6u@+X ", "iiii @>,4%4+X i", "iiiiiii @>,X ii", "iiiiiiiiii iii" ] filesave = [ "16 16 26 1", " c #000000", ". c #0c0c0c", "X c gray21", "o c #3e3e3e", "O c #444444", "+ c #4c4c4c", "@ c #535353", "# c #5d5d5d", "$ c #636363", "% c #6a6a6a", "& c #747474", "* c #7c7c7c", "= c #838383", "- c #8c8c8c", "; c #939393", ": c #9a9a9a", "> c #a4a4a4", ", c gray68", "< c gray71", "1 c #c1c1c1", "2 c gray81", "3 c gray85", "4 c #e6e6e6", "5 c #efefef", "6 c #ffffff", "7 c None", "7777 777777777", "777@1,6 777777", "777@1:6666 777", "777@166666666 ", "77@1>66666666>> ", "77@1-66666666;> ", "77@<56666666== 7", "7@,>;-666666&- 7", "7@:---==*662$; 7", "7@:--=$#$&*2$; 7", #"7@ =$#$&$#.7", "@=$444+O+@@@* 77", "@%+444443O@@- 77", " 44444o+@$ 777", "777 44X@@& 777", "777777 @@; 777", "777777777 .7777" ] fit = [ "16 16 7 1", " c #303030", ". c #585858", "X c #c00000", "o c #808080", "O c #dcdcdc", "+ c #ffffff", "@ c None", "@@@@@oo@@@@@@@@@", "@@@@@oo@@@@@@@@@", "@@@@oXXo@@@@@@@@", "@@@@o++X@@@@@@@@", "@@@Xo++oX@oX@@@@", "@@@o+++oX@XoX@@@", "@@Xo++++.X++o@@@", "@Xo+++++oo++oX@@", "@ + + @@", "@ + + X@", "o ++++ ++ oX@", "X ++ ++ oX@", "+ ++ ++ oo@", "+ ++++ ++ +oX", "+ ++++ ++ ++o", "@@@@@@@@@@@@@@@@" ] logx = [ "16 16 4 1", " c #000040", ". c #0000ff", "X c #dcdcdc", "o c None", "oooooooooooooooo", "ooo oooooooooooo", "ooo oooooooooooo", "ooo oooooooooooo", "ooo ooo ooo oooo", "ooo oo o o o ooo", "ooo oo o o o ooo", "ooo o ooo ooo", "oooooooooooo ooo", "oooooooooo oooo", "oo.oooooooooo.oo", "o..oooooooooo..o", "................", "o..oooooooooo..o", "oo.oooooooooo.oo", "oooooooooooooooo" ] logy = [ "16 16 4 1", " c #000040", ". c #0000ff", "X c #dcdcdc", "o c None", "oooooooooooooooo", "oo.ooooooooooooo", "o...oooooooooooo", ".....ooooooooooo", "oo.ooooooooooooo", "oo.ooo ooooooooo", "oo.ooo ooooooooo", "oo.ooo ooooooooo", "oo.ooo ooo ooo o", "oo.ooo oo o o o ", "oo.ooo oo o o o ", "oo.ooo o ooo ", ".....oooooooooo ", "o...ooooooooo o", "oo.ooooooooooooo", "oooooooooooooooo" ] normal = [ "16 16 4 1", " c #303030", ". c #dcdcdc", "X c #ffffff", "o c None", "oooooooooooooooo", "o oooooooooooo", "o ooooooooo", "o oooooo", "oX ooooooo", "oX oooooooo", "oX oooooooo", "oXX ooooooo", "ooX XX oooooo", "ooX XooX ooooo", "ooXXooooX oooo", "oooooooooX ooo", "ooooooooooX ooo", "oooooooooooooooo", "oooooooooooooooo", "oooooooooooooooo" ] peak = [ "16 16 4 1", " c #303030", ". c #0080ff", "X c #dcdcdc", "o c None", "oooooo ooooooo", "ooooo . ooooooo", "ooooo ...ooooooo", "ooooo.....oooooo", "ooooo o.o oooooo", "ooooo o.o oooooo", "oooo oo.o oooooo", "oooo oo.o oooooo", "oo o oo.o oooooo", "oo o oo.o ooo o", "o oo.oo oo ", "o o oo.oo oo oo", "o ooooo.oo oo", " ooo.....oo ooo", "oooooo...ooooooo", "ooooooo.oooooooo" ] peakreset = [ "16 16 6 1", " c #303030", ". c #0080ff", "X c #ff0000", "o c #dcdcdc", "O c #ffc0c0", "+ c None", "XX++++ +++++XX", "+XXO+ . ++++XX+", "++XXO ...++OXX++", "+++XX.....OXX+++", "++++XXO.+OXX++++", "+++++XX.OXX+++++", "++++ +XXXX++++++", "++++ +OXX ++++++", "++ + OXXXX++++++", "++ +OXX.OXX+++ +", "+ OXX+.+OXX+ ", "+ +XX++.++OXX ++", "+ XX+++.++ OXX++", " XX++.....++ XX+", "+X++++...+++++X+", "X++++++.+++++++X" ] peaksearch = [ "16 16 6 1", " c #303030", ". c #585858", "X c #0000c0", "o c #dcdcdc", "O c #ffffff", "+ c None", "++..++++++++++++", "++.X.+++++++++++", "++XXX+++++++++++", "++.X.++++..+++++", "+..X.+++.X..++++", "+.OX..++XXX.++++", "+.OXO..+.XO..+++", "..OXOO..OXOO.+++", "OOOXOOOOOXOO..OO", " ++++++++++...", " ++ ++++++++++++", " ++ + ++ + + +", " + + + + + + +", " +++ ++ + + ++", " +++ +++ + + + +", " ++++ ++ + + +" ] reload_ = [ "16 16 51 1", " c #000000", ". c #040d00", "X c gray5", "o c #111111", "O c #1b1b1b", "+ c #0c2600", "@ c #113800", "# c #153c17", "$ c #242424", "% c #2d2d2d", "& c #343434", "* c gray24", "= c #154400", "- c #124515", "; c #1c4e1f", ": c #1b531c", "> c #1e5421", ", c #244926", "< c #235326", "1 c #215824", "2 c #265c28", "3 c #295f2c", "4 c #2f783f", "5 c #2f7a41", "6 c gray27", "7 c #4c4c4c", "8 c #525252", "9 c #5a5a5a", "0 c #7b7b7b", "q c #208a17", "w c #249215", "e c #289b19", "r c #2fa522", "t c #3fbe31", "y c #56a64f", "u c #6ebc66", "i c #44cd35", "p c #818181", "a c #929292", "s c #9f9f9f", "d c darkgray", "f c #b2b2b2", "g c #b9b9b9", "h c #a9d7ad", "j c #b5d7b3", "k c #b3d8b2", "l c #c6e0c4", "z c #dbecda", "x c #e4e4e4", "c c white", "v c None", "vvvvc2>>>>=vvvvv", "vvvc3kqr=@+==vvv", "vvv1zqr=vvv .=vv", "vvv c #e6e6da", ", c #ffffdd", "< c #e6e6e5", "1 c #ffffe4", "2 c #ffffeb", "3 c #fffff4", "4 c #fffffe", "5 c None", "5555555555555555", " ", " 555*&%%#@+Oooo ", " XXXXXXXXXXXXXX ", " <444444444444> ", " <44444444444,: ", " %..4..%4%..%.. ", " .444.4.3.3,.,; ", " %.%4.3.3..2.1; ", " <4.3..%2.,1.1; ", " <4.4.222.1,.,: ", " ..%2.211%..%.. ", " >,,,,111,,,,,$ ", " :::;;;;----$$$ ", " ", "5555555555555555" ] window_fullscreen = [ "16 16 23 1", " c black", ". c #777777", "X c maroon", "o c #9f9f9f", "O c #a5a5a5", "+ c #acacac", "@ c gray70", "# c gray73", "$ c #e6e6bc", "% c #c4c4c4", "& c #cecece", "* c #d5d5d5", "= c gainsboro", "- c #e6e6c3", "; c #e6e6cc", ": c #e6e6d5", "> c #e6e6db", ", c #ffffde", "< c #e6e6e6", "1 c #ffffe4", "2 c #ffffec", "3 c #fffff4", "4 c #ffffff", "4444444444444444", " ", " ===*&%%#@+Oooo ", " .............. ", " <444444444444> ", " XX222111,,XX- ", " >XXX1111,,XXX$ ", " :::;;;;----$$$ ", " ", "4444444444444444" ] window_new = [ "16 16 53 1", " c #000000", ". c #0f0000", "X c #330100", "o c #333940", "O c #5e2479", "+ c #555555", "@ c #585858", "# c gray40", "$ c #0000d0", "% c #0000d8", "& c #3940e6", "* c #642780", "= c #6f2f90", "- c #6e308b", "; c #763796", ": c #793b9c", "> c #7e3ea3", ", c #903339", "< c #e60000", "1 c #8242a7", "2 c #894caf", "3 c #8957a0", "4 c #9056b5", "5 c #925ab3", "6 c #8d61a4", "7 c #9065a8", "8 c #9570ab", "9 c #9873ae", "0 c #c0c000", "q c #c1c10a", "w c yellow", "e c #a480b9", "r c #a881be", "t c #ae86c5", "y c #b894ce", "u c #dedeb6", "i c #dedebf", "p c #ffff85", "a c #c6c6c6", "s c #dedec4", "d c #dedecb", "f c #deded2", "g c #dededd", "h c #ffffc0", "j c #ffffdf", "k c #e4e4e4", "l c #eeeee6", "z c #eeeeee", "x c #ffffe4", "c c #ffffec", "v c #fffff4", "b c #fffffe", "n c None", "@#+**********+++", "@kayytre98763ga ", "+aa45521>:;=-aa ", "+@@OOOOOOOOOO@@ ", "+zbbbbbbbbbbbvl ", "+gbbbbbbbbvcccd ", "+gbbbbbbbvcccxs ", "+gbbbbbvcc@pxji ", "+gbbbbv@pc@wj@p ", "+gbbvccc@w0w0wu ", "+gbvcccxxqhph0@ ", "+gffdd@pwwpbpwwp", "+ 0hph0 ", "nnnnnnnn w0w0wnn", "nnnnnnn pn wn pn", "nnnnnnnnnn pnnnn" ] window_nofullscreen = [ "16 16 23 1", " c black", ". c #777777", "X c maroon", "o c #9f9f9f", "O c #a5a5a5", "+ c #acacac", "@ c gray70", "# c gray73", "$ c #e6e6be", "% c #c4c4c4", "& c #cecece", "* c #d5d5d5", "= c gainsboro", "- c #e6e6c4", "; c #e6e6cc", ": c #e6e6d4", "> c #e6e6db", ", c #ffffda", "< c #e6e6e6", "1 c #ffffe4", "2 c #ffffec", "3 c #fffff4", "4 c #ffffff", "4444444444444444", " ", " ===*&%%#@+Oooo ", " .............. ", " X444444444444X ", " ", " <4XX444443XX2: ", " X3X22111,X,X$ ", " X>:::;;;---$$X ", " ", "4444444444444444" ] zoom = [ "16 16 56 1", " c #000000", ". c #0b0b0b", "X c #101010", "o c #272727", "O c #3f3f3f", "+ c #3f3f40", "@ c #404041", "# c #707071", "$ c #3eaab3", "% c #00c0c0", "& c aqua", "* c #43b2bc", "= c #7f8281", "- c #53c9d4", "; c #60c1cd", ": c #6ec4cd", "> c #68c6d1", ", c #71c6ce", "< c #7ac4cb", "1 c #7cc9cd", "2 c #76cbd5", "3 c #79cad4", "4 c #76d7e3", "5 c #78d8e3", "6 c #85ccd2", "7 c #89c8d0", "8 c #90d5db", "9 c #90d9df", "0 c #8bd7e0", "q c #8adbe5", "w c #8fdfe8", "e c #95e1ea", "r c #a8d1d5", "t c #aed6db", "y c #b6d9dd", "u c #b9dade", "i c #abdee4", "p c #b9dbe0", "a c #ade4e8", "s c #afe9f0", "d c #b0eaef", "f c #baecef", "g c #beedf1", "h c #c3c3c3", "j c #c1d4d6", "k c #ced8d9", "l c #c4eaed", "z c #caeaed", "x c #cdecf0", "c c #d7e5e6", "v c #d7e5e8", "b c #d3f2f5", "n c #def4f6", "m c #e3f4f4", "M c #eafbfa", "N c None", "NNNNoO.NNNNNNNNN", "NN+ kvj +NNNNNNN", "N+=mnlia=+NNNNNN", "N mMng9:f NNNNNN", "Xybnbsw,3p.NNNNN", "oclgde4;6z.NNNNN", ".ri0q5-*1t NNNNN", "N g2:>*$g NNNNNN", "N+=g8<7g= &NNNNN", "NN+ uzt @& NNNN", "NNNN . N% #h NNN", "NNNNNNNNN @#h NN", "NNNNNNNNNN @#h N", "NNNNNNNNNNN @#h ", "NNNNNNNNNNNN @# ", "NNNNNNNNNNNNN N" ] zoomminus = [ "16 16 56 1", " c #000000", ". c #0b0b0b", "X c #101010", "o c #272727", "O c #3f3f3f", "+ c #3f3f40", "@ c #404041", "# c #707071", "$ c #3eaab3", "% c #00c0c0", "& c aqua", "* c #43b2bc", "= c #7f8281", "- c #53c9d4", "; c #60c1cd", ": c #6ec4cd", "> c #68c6d1", ", c #71c6ce", "< c #7ac4cb", "1 c #7cc9cd", "2 c #76cbd5", "3 c #79cad4", "4 c #76d7e3", "5 c #78d8e3", "6 c #85ccd2", "7 c #89c8d0", "8 c #90d5db", "9 c #90d9df", "0 c #8bd7e0", "q c #8adbe5", "w c #8fdfe8", "e c #95e1ea", "r c #a8d1d5", "t c #aed6db", "y c #b6d9dd", "u c #b9dade", "i c #abdee4", "p c #b9dbe0", "a c #ade4e8", "s c #afe9f0", "d c #b0eaef", "f c #baecef", "g c #beedf1", "h c #c3c3c3", "j c #c1d4d6", "k c #ced8d9", "l c #c4eaed", "z c #caeaed", "x c #cdecf0", "c c #d7e5e6", "v c #d7e5e8", "b c #d3f2f5", "n c #def4f6", "m c #e3f4f4", "M c #eafbfa", "N c None", "NNNNoO.NNNNNNNNN", "NN+ kvj +NNNNNNN", "N+=mnlia=+NNNNNN", "N mMng9:f NNNNNN", "Xybnbsw,3p.NNNNN", "oclgde4;6z.NNNNN", ".ri0q5-*1t NNNNN", "N g2:>*$g NNNNNN", "N+=g8<7g= &NNNNN", "NN+ uzt +& NNNN", "NNNN . N% #h NNN", "NNNNNNNNN @#h NN", "NNNNNNNNNN @#h N", " NNNNNN @#h ", "NNNNNNNNNNNN @# ", "NNNNNNNNNNNNN N" ] zoomplus = [ "16 16 56 1", " c #000000", ". c #0b0b0b", "X c #101010", "o c #272727", "O c #3f3f3f", "+ c #3f3f40", "@ c #404041", "# c #707071", "$ c #3eaab3", "% c #00c0c0", "& c aqua", "* c #43b2bc", "= c #7f8281", "- c #53c9d4", "; c #60c1cd", ": c #6ec4cd", "> c #68c6d1", ", c #71c6ce", "< c #7ac4cb", "1 c #7cc9cd", "2 c #76cbd5", "3 c #79cad4", "4 c #76d7e3", "5 c #78d8e3", "6 c #85ccd2", "7 c #89c8d0", "8 c #90d5db", "9 c #90d9df", "0 c #8bd7e0", "q c #8adbe5", "w c #8fdfe8", "e c #95e1ea", "r c #a8d1d5", "t c #aed6db", "y c #b6d9dd", "u c #b9dade", "i c #abdee4", "p c #b9dbe0", "a c #ade4e8", "s c #afe9f0", "d c #b0eaef", "f c #baecef", "g c #beedf1", "h c #c3c3c3", "j c #c1d4d6", "k c #ced8d9", "l c #c4eaed", "z c #caeaed", "x c #cdecf0", "c c #d7e5e6", "v c #d7e5e8", "b c #d3f2f5", "n c #def4f6", "m c #e3f4f4", "M c #eafbfa", "N c None", "NNNNoO.NNNNNNNNN", "NN+ kvj +NNNNNNN", "N+=mnlia=+NNNNNN", "N mMng9:f NNNNNN", "Xybnbsw,3p.NNNNN", "oclgde4;6z.NNNNN", ".ri0q5-*1t NNNNN", "N g2:>*$g NNNNNN", "N+=g8<7g= &NNNNN", "NN+ uzt +& NNNN", "NNNN . N% #h NNN", "NN NNNNNN @#h NN", "NN NNNNNNN @#h N", " NNNNNN @#h ", "NN NNNNNNNNN @# ", "NN NNNNNNNNNN N" ] zoomreset = [ "16 16 38 1", " c #000000", ". c #0c0c0c", "X c #101010", "o c #272727", "O c #3f3f3f", "+ c #3f3f40", "@ c #404041", "# c #00c0c0", "$ c aqua", "% c #7f8281", "& c #60c1cd", "* c #6ec4cd", "= c #68c6d1", "- c #71c6ce", "; c #76cbd5", ": c #79cad4", "> c red", ", c #90d5db", "< c #90d9df", "1 c #8bd7e0", "2 c #8adbe5", "3 c #8fdfe8", "4 c #a8d1d5", "5 c #b6d9dd", "6 c #abdee4", "7 c #ade4e8", "8 c #baecef", "9 c #beedf1", "0 c #c1d4d6", "q c #ced8d9", "w c gainsboro", "e c #c4eaed", "r c #d7e5e6", "t c #d7e5e8", "y c #d5f2f4", "u c #dcf2f3", "i c #ffc0c0", "p c None", ">>ppoO.ppppppp>>", "p>> qt0 +pppp>>p", "p+>>ue67%+pi>>pp", "p i>>9<*8 i>>ppp", "X5yi>>3-:i>>pppp", "ore9i>>&i>>ppppp", ".4612i>>>> ppppp", "p 9;*=i>> pppppp", "p+%9,i>>>>$ppppp", "pp+ i>> i>> pppp", "pppi>> p#i>> ppp", "ppi>>pppp i>> pp", "pp>>pppppp i>> p", "p>>pppppppp i>> ", "p>pppppppppp @> ", ">pppppppppppp >" ] IconDict = { "derive": derive, "close": close, "fileclose": fileclose, "fileopen": fileopen, "filesave": filesave, "fileprint": fileprint, "spec": spec, "normal": normal, "normalize16": normalize16, "reload": reload_, "window_fullscreen": window_fullscreen, "window_new": window_new, "window_nofullscreen": window_nofullscreen, "zoomplus": zoomplus, "zoomminus": zoomminus, "zoomreset": zoomreset, "zoom": zoom, "logx": logx, "logy": logy, "peak": peak, "peakreset": peakreset, "peaksearch": peaksearch, "roi": roi, "roireset": roireset, "selected": selected, "unselected": unselected, "fit": fit, "energy": energy, "xauto": xauto, "yauto": yauto, "colormap": colormap, "colormap16": colormap16, "gioconda16": gioconda16, "gioconda16mirror": gioconda16mirror, "grid16": grid16, "image": image, "eraseselect": eraseselect, "boxselect": boxselect, "brush": brush, "brushselect": brushselect, "rgb16": rgb16, "rgb": rgb, "sliderson": sliderson, "slidersoff": slidersoff, "sigma": sigma, "swapsign": swapsign, "ymintozero": ymintozero, "average16": average16, "square": square16, "polygon": polygon16, "rectangle": rectangle16, "circle": circle16, "ellipse": ellipse16, "solidcircle": solid_circle16, "solidellipse": solid_ellipse16, "smooth": smooth, "subtract": subtract, "substract": substract, "togglepoints": togglepoints, "remove": remove, "additionalselect": additionalselect, "crop": crop, "plugin": plugin, "horizontal": horizontal, "vertical": vertical, "diagonal": diagonal, "rotate_left": rotate_left, "rotate_right": rotate_right } def showIcons(): import sys from PyMca5.PyMcaGui import PyMcaQt as qt a= qt.QApplication(sys.argv) a.lastWindowClosed.connect(a.quit) w= qt.QWidget() g= qt.QGridLayout(w) idx= 0 for name,icon in IconDict.items(): column = int(idx / 10) row = idx % 10 #print "name",name lab= qt.QLabel(w) lab.setText(str(name)) g.addWidget(lab, row, 2 * column + 1) lab= qt.QLabel(w) lab.setPixmap(qt.QPixmap(icon)) g.addWidget(lab, row, 2 * column) idx+= 1 w.show() a.exec_() if __name__=='__main__': showIcons() PyMca5-5.2.2/PyMca5/PyMcaGui/plotting/__init__.py0000644000276300001750000000000013136054446021444 0ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/PyMcaGui/plotting/Toolbars.py0000644000276300001750000003434113136054446021511 0ustar solebliss00000000000000# /*######################################################################### # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2016 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # # ###########################################################################*/ __author__ = "T. Vincent - ESRF Data Analysis" __contact__ = "thomas.vincent@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" __doc__ = """ Set of QToolBar to attach to a :class:`PlotWindow` instance. Available toolbars: - ProvileToolBar: Profiling tools - LimitsToolBar: Text field to display and change the plot limits. """ # import ###################################################################### import logging import sys import numpy try: from .. import PyMcaQt as qt except ImportError: from PyMca5.PyMcaGui import PyMcaQt as qt from .PyMca_Icons import IconDict from .ProfileScanWidget import ProfileScanWidget from . import _ImageProfile # ProfileToolBar ############################################################## class ProfileToolBar(qt.QToolBar): """QToolBar providing profile tools operating on a :class:`PlotWindow`. Attributes: - plotWindow: Associated :class:`PlotWindow`. - profileWindow: Associated :class:`ProfileScanWidget`. - actionGroup: :class:`QActionGroup` of available actions. """ # TODO when available, listen to active image change to refresh profile _POLYGON_LEGEND = '__ProfileToolBar_ROI_Polygon' def __init__(self, plotWindow, profileWindow=None, title='Profile Selection', parent=None): """ :param plotWindow: :class:`PlotWindow` instance on which to operate. :param profileWindow: :class:`ProfileScanWidget` instance where to display the profile curve or None to create one. :param str title: See :class:`QToolBar`. :param parent: See :class:`QToolBar`. """ super(ProfileToolBar, self).__init__(title, parent) assert plotWindow is not None self.plotWindow = plotWindow self.plotWindow.sigPlotSignal.connect(self._plotWindowSlot) self._overlayColor = None self._roiInfo = None if profileWindow is None: self.profileWindow = ProfileScanWidget(actions=False) else: self.profileWindow = profileWindow # Actions self.browseAction = qt.QAction( qt.QIcon(qt.QPixmap(IconDict["normal"])), 'Browsing Mode', None) self.browseAction.setToolTip( 'Enables zooming interaction mode') self.browseAction.setCheckable(True) self.hLineAction = qt.QAction( qt.QIcon(qt.QPixmap(IconDict["horizontal"])), 'Horizontal Profile Mode', None) self.hLineAction.setToolTip( 'Enables horizontal profile selection mode') self.hLineAction.setCheckable(True) self.vLineAction = qt.QAction( qt.QIcon(qt.QPixmap(IconDict["vertical"])), 'Vertical Profile Mode', None) self.vLineAction.setToolTip( 'Enables vertical profile selection mode') self.vLineAction.setCheckable(True) self.lineAction = qt.QAction( qt.QIcon(qt.QPixmap(IconDict["diagonal"])), 'Fee Line Profile Mode', None) self.lineAction.setToolTip( 'Enables line profile selection mode') self.lineAction.setCheckable(True) self.clearAction = qt.QAction( qt.QIcon(qt.QPixmap(IconDict["image"])), 'Clear Profile', None) self.clearAction.setToolTip( 'Clear the profile Region of interest') self.clearAction.setCheckable(False) self.clearAction.triggered.connect(self.clearProfile) # ActionGroup self.actionGroup = qt.QActionGroup(self) self.actionGroup.addAction(self.browseAction) self.actionGroup.addAction(self.hLineAction) self.actionGroup.addAction(self.vLineAction) self.actionGroup.addAction(self.lineAction) self.actionGroup.triggered.connect(self._actionGroupTriggeredSlot) self.browseAction.setChecked(True) # Add actions to ToolBar self.addAction(self.browseAction) self.addAction(self.hLineAction) self.addAction(self.vLineAction) self.addAction(self.lineAction) self.addAction(self.clearAction) # Add width spin box to toolbar self.addWidget(qt.QLabel('W:')) self.lineWidthSpinBox = qt.QSpinBox(self) self.lineWidthSpinBox.setRange(0, 1000) self.lineWidthSpinBox.setValue(1) self.lineWidthSpinBox.valueChanged[int].connect( self._lineWidthSpinBoxValueChangedSlot) self.addWidget(self.lineWidthSpinBox) def _lineWidthSpinBoxValueChangedSlot(self, value): self.updateProfile() def _actionGroupTriggeredSlot(self, action): if action == self.browseAction: self.plotWindow.setZoomModeEnabled(True, color=self.overlayColor) elif action == self.hLineAction: self.plotWindow.setDrawModeEnabled(True, shape='hline', color=self.overlayColor) elif action == self.vLineAction: self.plotWindow.setDrawModeEnabled(True, shape='vline', color=self.overlayColor) elif action == self.lineAction: self.plotWindow.setDrawModeEnabled(True, shape='line', color=self.overlayColor) else: logging.error( 'ProfileToolBar._actionGroupTriggered got unknown action') def _plotWindowSlot(self, event): if event['event'] not in ('drawingProgress', 'drawingFinished'): return roiStart, roiEnd = event['points'][0], event['points'][1] checkedAction = self.actionGroup.checkedAction() if checkedAction == self.hLineAction: roiStart = - sys.maxsize, roiStart[1] roiEnd = sys.maxsize, roiEnd[1] lineProjectionMode = 'X' elif checkedAction == self.vLineAction: roiStart = roiStart[0], - sys.maxsize roiEnd = roiEnd[0], sys.maxsize lineProjectionMode = 'Y' elif checkedAction == self.lineAction: lineProjectionMode = 'D' else: return self._roiInfo = roiStart, roiEnd, lineProjectionMode self.updateProfile() @property def overlayColor(self): """The color to use for the ROI. """ return self._overlayColor @overlayColor.setter def overlayColor(self, color): self._overlayColor = color self.updateProfile() def updateProfile(self): """Update the displayed profile and profile ROI. """ self.plotWindow.removeItem(self._POLYGON_LEGEND, replot=True) if self._roiInfo is None: return imageData = self.plotWindow.getActiveImage() if imageData is None: return data, legend, info, pixmap = imageData origin = info['plot_xScale'][0], info['plot_yScale'][0] scale = info['plot_xScale'][1], info['plot_yScale'][1] roiWidth = self.lineWidthSpinBox.value() roiStart, roiEnd, lineProjectionMode = self._roiInfo profile = _ImageProfile.getProfileCurve(data, roiStart, roiEnd, roiWidth, origin, scale, lineProjectionMode) if profile is None: return # Update ROI polygon self.plotWindow.addItem(profile['roiPolygonX'], profile['roiPolygonY'], legend=self._POLYGON_LEGEND, color=self.overlayColor, shape='polygon', fill=True, replace=False, replot=True) # Title if lineProjectionMode == 'X': yMin = profile['roiPolygonY'].min() yMax = profile['roiPolygonY'].max() - 1 if roiWidth <= 1: profileName = 'Y = %g' % yMin else: profileName = 'Y = [%g, %g]' % (yMin, yMax) xLabel = 'Columns' elif lineProjectionMode == 'Y': xMin = profile['roiPolygonX'].min() xMax = profile['roiPolygonX'].max() - 1 if roiWidth <= 1: profileName = 'X = %g' % xMin else: profileName = 'X = [%g, %g]' % (xMin, xMax) xLabel = 'Rows' else: x0, y0 = profile['startPoint'] x1, y1 = profile['endPoint'] if roiWidth < 1 or x1 == x0 or y1 == y0: profileName = 'From (%g, %g) to (%g, %g)' % ( x0, y0, x1, y1) else: m = (y1 - y0) / float((x1 - x0)) b = y0 - m * x0 profileName = 'y = %g * x %+g ; width=%d' % ( m, b, roiWidth) xLabel = 'Distance' # Update profile curve coords, values = profile['profileCoords'], profile['profileValues'] index = numpy.isfinite(values) coords, values = coords[index], values[index] self.profileWindow.addCurve(coords, values, legend=profileName, xlabel=xLabel, replace=True, replot=True) self.profileWindow.show() def clearProfile(self): self._roiInfo = None self.updateProfile() # LimitsToolBar ############################################################## class LimitsToolBar(qt.QToolBar): """QToolBar displaying and controlling the limits of a :class:`PlotWindow`. """ class _FloatEdit(qt.QLineEdit): """Field to edit a float value.""" def __init__(self, value=None, *args, **kwargs): qt.QLineEdit.__init__(self, *args, **kwargs) self.setValidator(qt.QDoubleValidator()) self.setFixedWidth(100) self.setAlignment(qt.Qt.AlignLeft) if value is not None: self.setValue(value) def value(self): return float(self.text()) def setValue(self, value): self.setText('%g' % value) def __init__(self, plotWindow, title='Limits', parent=None): """ :param plotWindow: :class:`PlotWindow` instance on which to operate. :param str title: See :class:`QToolBar`. :param parent: See :class:`QToolBar`. """ super(LimitsToolBar, self).__init__(title, parent) assert plotWindow is not None self._plotWindow = plotWindow self._plotWindow.sigPlotSignal.connect(self._plotWindowSlot) self._initWidgets() @property def plotWindow(self): """The :class:`PlotWindow` the toolbar is attached to.""" return self._plotWindow def _initWidgets(self): """Create and init Toolbar widgets.""" xMin, xMax = self.plotWindow.getGraphXLimits() yMin, yMax = self.plotWindow.getGraphYLimits() self.addWidget(qt.QLabel('Limits: ')) self.addWidget(qt.QLabel(' X: ')) self._xMinFloatEdit = self._FloatEdit(xMin) self._xMinFloatEdit.editingFinished[()].connect( self._xFloatEditChanged) self.addWidget(self._xMinFloatEdit) self._xMaxFloatEdit = self._FloatEdit(xMax) self._xMaxFloatEdit.editingFinished[()].connect( self._xFloatEditChanged) self.addWidget(self._xMaxFloatEdit) self.addWidget(qt.QLabel(' Y: ')) self._yMinFloatEdit = self._FloatEdit(yMin) self._yMinFloatEdit.editingFinished[()].connect( self._yFloatEditChanged) self.addWidget(self._yMinFloatEdit) self._yMaxFloatEdit = self._FloatEdit(yMax) self._yMaxFloatEdit.editingFinished[()].connect( self._yFloatEditChanged) self.addWidget(self._yMaxFloatEdit) def _plotWindowSlot(self, event): """Listen to :class:`PlotWindow` events.""" if event['event'] not in ('limitsChanged',): return xMin, xMax = self.plotWindow.getGraphXLimits() yMin, yMax = self.plotWindow.getGraphYLimits() self._xMinFloatEdit.setValue(xMin) self._xMaxFloatEdit.setValue(xMax) self._yMinFloatEdit.setValue(yMin) self._yMaxFloatEdit.setValue(yMax) def _xFloatEditChanged(self): """Handle X limits changed from the GUI.""" xMin, xMax = self._xMinFloatEdit.value(), self._xMaxFloatEdit.value() if xMax < xMin: xMin, xMax = xMax, xMin self.plotWindow.setGraphXLimits(xMin, xMax) def _yFloatEditChanged(self): """Handle Y limits changed from the GUI.""" yMin, yMax = self._yMinFloatEdit.value(), self._yMaxFloatEdit.value() if yMax < yMin: yMin, yMax = yMax, yMin self.plotWindow.setGraphYLimits(yMin, yMax) PyMca5-5.2.2/PyMca5/PyMcaGui/plotting/_ImageProfile.py0000644000276300001750000004757213136054446022440 0ustar solebliss00000000000000# /*######################################################################### # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # # ###########################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" __doc__ = """ Functions to extract a profile curve of a region of interest in an image. """ # import ###################################################################### import numpy from PyMca5.PyMcaMath.fitting import SpecfitFuns DEBUG = 0 # utils ####################################################################### def _clamp(value, min_, max_): if value < min_: return min_ elif value > max_: return max_ else: return value # coordinate conversion ####################################################### def plotToImage(x, y, origin=(0, 0), scale=(1, 1), shape=None): """Convert a position from plot to image coordinates. If shape is not None, return the position clipped to the image bounds. :param float x: X coordinate in plot. :param float y: Y coordinate in plot. :param origin: Origin of the image in the plot. :type origin: 2-tuple of float: (ox, oy). :param scale: Scale of the image in the plot. :type scale: 2-tuple of float: (sx, sy). :param shape: Shape of the image or None to disable clipping. :type shape: 2-tuple of int: (height, width) or None. :return: Position in the image. :rtype: 2-tuple of int: (row, col). """ col = int((x - origin[0]) / float(scale[0])) row = int((y - origin[1]) / float(scale[1])) if shape is not None: col = _clamp(col, 0, shape[1] - 1) row = _clamp(row, 0, shape[0] - 1) return row, col def imageToPlot(row, col, origin=(0., 0.), scale=(1., 1.)): """Convert a position from image to plot coordinates. :param row: Row coordinate(s) in image. :type row: int or numpy.ndarray :param col: Column coordinate(s) in image. :type col: int or numpy.ndarray :param origin: Origin of the image in the plot. :type origin: 2-tuple of float: (ox, oy). :param scale: Scale of the image in the plot. :type scale: 2-tuple of float: (sx, sy). :return: Position in the image. :rtype: 2-tuple of float or numpy.ndarray: (x, y). """ x = origin[0] + col * scale[0] y = origin[1] + row * scale[1] return x, y # profiles #################################################################### def getAlignedROIProfileCurve(image, roiCenter, roiWidth, roiRange, axis): """Sums of a rectangular region of interest (ROI) along a given axis. Returned values and all parameters are in image coordinates. This function might change the ROI so it remains within the image. Thus, the bounds of the effective ROI and the effective roiRange are returned along with the profile. :param image: 2D data. Warning: The sum is performed with the dtype of the provided array! :type image: numpy.ndarray with 2 dimensions. :param int roiCenter: Center of the ROI in image coordinates along the given axis. :param int roiWidth: Width of the ROI in image pixels along the given axis. :param roiRange: [Start, End] positions of the ROI from which to take the ROI in image coordinates along the other dimension. Both start and end are included in the ROI if they are in the image. This range is clipped to the image. :type roiRange: 2-tuple of int. :param int axis: The axis along which to take the profile of the ROI. 0: Sum rows along columns. 1: Sum columns along rows. :return: The profile and the effective ROI as a dict with the keys: - 'profileCoordsRange': The range of profile coordinates along the selected axis (2-tuple of int). - 'profileValues': The sums of the ROI along the selected axis. - 'roiPolygonCols': The column coordinates of the polygon of the effective ROI. - 'roiPolygonRows': The row coordinates of the polygon of the effective ROI. :rtype: dict """ assert axis in (0, 1) if axis == 1: # Transpose image to use same code for both dimensions. image = image.transpose() dim0Size, dim1Size = image.shape roiCenter = int(roiCenter) roiWidth = int(roiWidth) # Keep range within image startRange = _clamp(int(roiRange[0]), 0, dim1Size - 1) endRange = _clamp(int(roiRange[1]), 0, dim1Size - 1) stepRange = 1 if startRange <= endRange else -1 rangeSlice = slice(startRange, endRange + stepRange, stepRange) # Get ROI extent in the dimension to sum start = int(roiCenter + 0.5 - 0.5 * roiWidth) end = int(roiCenter + 0.5 + 0.5 * roiWidth) # Keep ROI within image and keep its width if possible if start < 0: start, end = 0, min(roiWidth, dim0Size) elif end > dim0Size: start, end = max(dim0Size - roiWidth, 0), dim0Size if roiWidth <= 1: profileValues = image[start, rangeSlice] end = start + 1 else: profileValues = image[start:end, rangeSlice].sum(axis=0) # Get the ROI polygon roiPolygonCols = numpy.array( (startRange, endRange + stepRange, endRange + stepRange, startRange), dtype=numpy.float) roiPolygonRows = numpy.array((start, start, end, end), dtype=numpy.float) if axis == 1: # Image was transposed roiPolygonCols, roiPolygonRows = roiPolygonRows, roiPolygonCols return {'profileValues': profileValues, 'profileCoordsRange': (startRange, endRange), 'roiPolygonRows': roiPolygonRows, 'roiPolygonCols': roiPolygonCols} def _getROILineProfileCurve(image, roiStart, roiEnd, roiWidth, lineProjectionMode): """Returns the profile values and the polygon in the given ROI. Works in image coordinates. See :func:`getAlignedROIProfileCurve`. """ row0, col0 = roiStart row1, col1 = roiEnd deltaRow = abs(row1 - row0) deltaCol = abs(col1 - col0) if (lineProjectionMode == 'X' or (lineProjectionMode == 'D' and deltaCol >= deltaRow)): nPoints = deltaCol + 1 coordsRange = col0, col1 else: # 'Y' or ('D' and deltaCol < deltaRow) nPoints = deltaRow + 1 coordsRange = row0, row1 if nPoints == 1: # all points are the same if DEBUG: print("START AND END POINT ARE THE SAME!!") return None # the coordinates of the reference points x0 = numpy.arange(image.shape[0], dtype=numpy.float) y0 = numpy.arange(image.shape[1], dtype=numpy.float) if roiWidth < 1: x = numpy.zeros((nPoints, 2), numpy.float) x[:, 0] = numpy.linspace(row0, row1, nPoints) x[:, 1] = numpy.linspace(col0, col1, nPoints) # perform the interpolation ydata = SpecfitFuns.interpol((x0, y0), image, x) roiPolygonCols = numpy.array((col0, col1), dtype=numpy.float) roiPolygonRows = numpy.array((row0, row1), dtype=numpy.float) else: # find m and b in the line y = mx + b m = (row1 - row0) / float((col1 - col0)) # Not used: b = row0 - m * col0 alpha = numpy.arctan(m) # imagine the following sequence # - change origin to the first point # - clock-wise rotation to bring the line on the x axis of a new system # so that the points (col0, row0) and (col1, row1) # become (x0, 0) (x1, 0). # - counter clock-wise rotation to get the points (x0, -0.5 width), # (x0, 0.5 width), (x1, 0.5 * width) and (x1, -0.5 * width) back to # the original system. # - restore the origin to (0, 0) # - if those extremes are inside the image the selection is acceptable cosalpha = numpy.cos(alpha) sinalpha = numpy.sin(alpha) newCol0 = 0.0 newCol1 = (col1 - col0) * cosalpha + (row1 - row0) * sinalpha newRow0 = 0.0 newRow1 = - (col1 - col0) * sinalpha + (row1 - row0) * cosalpha if DEBUG: print("new X0 Y0 = %f, %f " % (newCol0, newRow0)) print("new X1 Y1 = %f, %f " % (newCol1, newRow1)) tmpX = numpy.linspace(newCol0, newCol1, nPoints).astype(numpy.float) rotMatrix = numpy.zeros((2, 2), dtype=numpy.float) rotMatrix[0, 0] = cosalpha rotMatrix[0, 1] = - sinalpha rotMatrix[1, 0] = sinalpha rotMatrix[1, 1] = cosalpha if DEBUG: # test if I recover the original points testX = numpy.zeros((2, 1), numpy.float) colRow = numpy.dot(rotMatrix, testX) print("Recovered X0 = %f" % (colRow[0, 0] + col0)) print("Recovered Y0 = %f" % (colRow[1, 0] + row0)) print("It should be = %f, %f" % (col0, row0)) testX[0, 0] = newCol1 testX[1, 0] = newRow1 colRow = numpy.dot(rotMatrix, testX) print("Recovered X1 = %f" % (colRow[0, 0] + col0)) print("Recovered Y1 = %f" % (colRow[1, 0] + row0)) print("It should be = %f, %f" % (col1, row1)) # find the drawing limits testX = numpy.zeros((2, 4), numpy.float) testX[0, 0] = newCol0 testX[0, 1] = newCol0 testX[0, 2] = newCol1 testX[0, 3] = newCol1 testX[1, 0] = newRow0 - 0.5 * roiWidth testX[1, 1] = newRow0 + 0.5 * roiWidth testX[1, 2] = newRow1 + 0.5 * roiWidth testX[1, 3] = newRow1 - 0.5 * roiWidth colRow = numpy.dot(rotMatrix, testX) colLimits0 = colRow[0, :] + col0 rowLimits0 = colRow[1, :] + row0 for a in rowLimits0: if (a >= image.shape[0]) or (a < 0): print("outside row limits", a) return None for a in colLimits0: if (a >= image.shape[1]) or (a < 0): print("outside column limits", a) return None r0 = rowLimits0[0] r1 = rowLimits0[1] if r0 > r1: print("r0 > r1", r0, r1) raise ValueError("r0 > r1") x = numpy.zeros((2, nPoints), numpy.float) # oversampling solves noise introduction issues oversampling = roiWidth + 1 oversampling = min(oversampling, 21) ncontributors = roiWidth * oversampling iterValues = numpy.linspace(-0.5 * roiWidth, 0.5 * roiWidth, ncontributors) tmpMatrix = numpy.zeros((nPoints * len(iterValues), 2), dtype=numpy.float) x[0, :] = tmpX offset = 0 for i in iterValues: x[1, :] = i colRow = numpy.dot(rotMatrix, x) colRow[0, :] += col0 colRow[1, :] += row0 # it is much faster to make one call to the interpolating # routine than making many calls tmpMatrix[offset:(offset + nPoints), 0] = colRow[1, :] tmpMatrix[offset:(offset + nPoints), 1] = colRow[0, :] offset += nPoints ydata = SpecfitFuns.interpol((x0, y0), image, tmpMatrix) ydata.shape = len(iterValues), nPoints ydata = ydata.sum(axis=0) # deal with the oversampling ydata /= oversampling roiPolygonCols, roiPolygonRows = colLimits0, rowLimits0 return {'profileValues': ydata, 'profileCoordsRange': coordsRange, 'roiPolygonCols': roiPolygonCols, 'roiPolygonRows': roiPolygonRows} def getProfileCurve(image, roiStart, roiEnd, roiWidth=1, origin=(0., 0.), scale=(1., 1.), lineProjectionMode='D'): """Sums a region of interest (ROI) of an image along a given line. Returned values and all parameters except roiWidth are in plot coordinates. This function might change the ROI so it remains within the image. Thus, the polygon of the effective ROI is returned along with the profile. The profile is always returned with increasing coordinates on the projection axis, so roiStart and roiEnd are flipped if roiStart > roiEnd. :param image: 2D data. :type image: numpy.ndarray with 2 dimensions. :param roiStart: Start point (x0, y0) of the ROI line in plot coordinates. Start point is included in ROI. :type roiStart: 2-tuple of float. :param roiEnd: End point (x1, y1) of the ROI line in plot coordinates. End point is included in ROI. :type roiEnd: 2-tuple of float. :param int roiWidth: Width of the ROI line in image pixels and NOT in plot coordinates. :param origin: (ox, oy) coordinates of the origin of the image in plot coordinates. :type origin: 2-tuple of float. :param scale: (sx, sy) scale of the image in plot coordinates. :type scale: 2-tuple of float. :param str lineProjectionMode: The axis on which to do the profile, in: - 'D': Use the axis with the longest projection of the ROI line in pixels. The profile coordinates are distance along the profile line. - 'X': Use the X axis. The profile coordinates are in X axis coordinates. - 'Y': Use the Y axis. The profile coordinates are in Y axis coordinates. This changes the sampling over the ROI line and the returned coordinates of the profile curve. :return: None if cannot compute a profile curve, or the profile and the effective ROI as a dict with the keys: - 'profileCoords': The profile coordinates along the selected axis if lineProjectionMode is in ('X', 'Y'), or the distance in plot coordinates along the line if lineProjectionMode is 'D'. - 'profileValues': The sums of the ROI along the line. - 'roiPolygonCols': The column coordinates of the polygon of the effective ROI. - 'roiPolygonRows': The row coordinates of the polygon of the effective ROI. - 'roiPolygonX': The x coordinates of the polygon of the effective ROI in plot coordinates. - 'roiPolygonY': The y coordinates of the polygon of the effective ROI in plot coordinates. :rtype: dict """ assert lineProjectionMode in ('D', 'X', 'Y') if image is None: return None row0, col0 = plotToImage(roiStart[0], roiStart[1], origin, scale, image.shape) row1, col1 = plotToImage(roiEnd[0], roiEnd[1], origin, scale, image.shape) # Makes sure coords are increasing along the projection axis if (lineProjectionMode == 'X' or (lineProjectionMode == 'D' and abs(col1 - col0) >= abs(row1 - row0))): if col1 < col0: # Invert end points to have increasing coords on X axis row0, col0, row1, col1 = row1, col1, row0, col0 else: # i.e., 'Y' or ('D' and abs(col1 - col0) < abs(row1 - row0)) if row1 < row0: # Invert end points to have increasing coords on Y axis row0, col0, row1, col1 = row1, col1, row0, col0 if col0 == col1: # Vertical line if lineProjectionMode not in ('D', 'Y'): return None # Nothing to profile over 'X' result = getAlignedROIProfileCurve(image, roiCenter=col0, roiRange=(row0, row1), roiWidth=roiWidth, axis=1) elif row0 == row1: # Horizontal line if lineProjectionMode not in ('D', 'X'): return None # Nothing to profile over 'Y' result = getAlignedROIProfileCurve(image, roiCenter=row0, roiRange=(col0, col1), roiWidth=roiWidth, axis=0) else: result = _getROILineProfileCurve(image, (row0, col0), (row1, col1), roiWidth, lineProjectionMode) if result is None: return None values = result['profileValues'] # Generates profile coordinates if lineProjectionMode == 'D': # Profile coordinates are distances along the ROI line in plot unit # get the abscisa in distance units colRange = float(scale[0] * abs(col1 - col0)) rowRange = float(scale[1] * abs(row1 - row0)) deltaDistance = numpy.sqrt( colRange * colRange + rowRange * rowRange) / (len(values) - 1.0) coords = deltaDistance * numpy.arange(len(values), dtype=numpy.float) else: # Profile coordinates are returned in plot coords # Build coords in image frame start, end = result['profileCoordsRange'] step = 1 if start <= end else -1 # In case profile is inverted coords = numpy.arange(start, end + step, step, dtype=numpy.float) # Convert coords from image to plot if lineProjectionMode == 'X': if origin[0] != 0. or scale[0] != 1.: coords = origin[0] + coords * scale[0] elif lineProjectionMode == 'Y': if origin[1] != 0. or scale[1] != 1.: coords = origin[1] + coords * scale[1] roiPolygonX, roiPolygonY = imageToPlot(result['roiPolygonRows'], result['roiPolygonCols'], origin, scale) return {'profileValues': values, 'profileCoords': coords, 'startPoint': imageToPlot(row0, col0, origin, scale), 'endPoint': imageToPlot(row1, col1, origin, scale), 'roiPolygonCols': result['roiPolygonCols'], 'roiPolygonRows': result['roiPolygonRows'], 'roiPolygonX': roiPolygonX, 'roiPolygonY': roiPolygonY} PyMca5-5.2.2/PyMca5/PyMcaGui/plotting/RenameCurveDialog.py0000644000276300001750000000667013136054446023264 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2015 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" from PyMca5.PyMcaGui import PyMcaQt as qt class RenameCurveDialog(qt.QDialog): def __init__(self, parent = None, current="", curves = []): qt.QDialog.__init__(self, parent) self.setWindowTitle("Rename Curve %s" % current) self.curves = curves layout = qt.QVBoxLayout(self) self.lineEdit = qt.QLineEdit(self) self.lineEdit.setText(current) self.hbox = qt.QWidget(self) self.hboxLayout = qt.QHBoxLayout(self.hbox) self.hboxLayout.addWidget(qt.HorizontalSpacer(self.hbox)) self.okButton = qt.QPushButton(self.hbox) self.okButton.setText('OK') self.hboxLayout.addWidget(self.okButton) self.cancelButton = qt.QPushButton(self.hbox) self.cancelButton.setText('Dismiss') self.hboxLayout.addWidget(self.cancelButton) self.hboxLayout.addWidget(qt.HorizontalSpacer(self.hbox)) layout.addWidget(self.lineEdit) layout.addWidget(self.hbox) self.okButton.clicked.connect(self.preAccept) self.cancelButton.clicked.connect(self.reject) def preAccept(self): text = str(self.lineEdit.text()) addedText = "" if len(text): if text not in self.curves: self.accept() return else: addedText = "Curve already exists." text = "Invalid Curve Name" msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setWindowTitle(text) text += "\n%s" % addedText msg.setText(text) msg.exec_() def getText(self): return str(self.lineEdit.text()) if __name__ == "__main__": app = qt.QApplication([]) w=RenameCurveDialog(None, 'curve1', ['curve1', 'curve2', 'curve3']) ret = w.exec_() if ret == qt.QDialog.Accepted: print("newcurve = %s" % str(w.lineEdit.text())) else: print("keeping old curve") PyMca5-5.2.2/PyMca5/PyMcaGui/plotting/MaskImageTools.py0000644000276300001750000002261313136054446022602 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" __doc__ = """ Common tools to deal with common graphics operations on images. """ import sys import os import numpy from PyMca5 import spslut COLORMAP_LIST = [spslut.GREYSCALE, spslut.REVERSEGREY, spslut.TEMP, spslut.RED, spslut.GREEN, spslut.BLUE, spslut.MANY] DEFAULT_COLORMAP_INDEX = 2 DEFAULT_COLORMAP_LOG_FLAG = False def convertToRowAndColumn(x, y, shape, xScale=None, yScale=None, safe=True): """ Convert from plot coordinates to image row and column. """ if xScale is None: c = x else: if x < xScale[0]: x = xScale[0] c = (x - xScale[0]) / xScale[1] if yScale is None: r = y else: if y < yScale[0]: y = yScale[0] r = ( y - yScale[0]) / yScale[1] if safe: c = min(int(c), shape[1] - 1) r = min(int(r), shape[0] - 1) else: c = int(c) r = int(r) return r, c def getPixmapFromData(ndarray, colormap=None, mask=None, colors=None): """ Calculate a colormap and apply a mask (given as a set of unsigned ints) to it. :param ndarray: Data values :type ndarray: Numpy array :param colormap: None or a list of seven parameters: 0. Colormap index. Positive integer 1. Autoscale flag 2. Minimum value to be mapped 3. Maximum value to be mapped 4. Minimum data value 5. Maximum data value 6. Flag to indicate mode (0 - linear, 1 - logarithmic) :type colormap: list or None (default) :param mask: Numpy array of indices to indicating mask levels :type mask: Numpy nd array of indices or None (default) :param colors: List containing the colors associated to the mask levels :type colors: Numpy array of dimensions (N mask levels, 4) or None (default) :returns: Numpy uint8 array of shape equal data.shape + [4] """ oldShape = list(ndarray.shape) # deal with numpy masked arrays if hasattr(ndarray, 'mask'): data = ndarray.data[:] else: data = ndarray[:] if len(oldShape) == 1: data.shape = -1, 1 elif len(oldShape) != 2: raise TypeError("Input array must be of dimension 2 got %d" % \ len(oldShape)) # deal with non finite data finiteData = numpy.isfinite(data) goodData = finiteData.min() if goodData: minData = data.min() maxData = data.max() else: tmpData = data[finiteData] if tmpData.size > 0: minData = tmpData.min() maxData = tmpData.max() else: minData = None maxData = None tmpData = None # apply colormap if colormap is None: colormapName = COLORMAP_LIST[min(DEFAULT_COLORMAP_INDEX, len(COLORMAP_LIST) - 1)] if DEFAULT_COLORMAP_LOG_FLAG: colormapScaling = spslut.log else: colormapScaling = spslut.LINEAR if minData is None: (pixmap, size, minmax)= spslut.transform(\ data, (1,0), (colormapScaling, 3.0), "RGBX", colormapName, 1, (0, 1), (0, 255), 1) else: (pixmap, size, minmax)= spslut.transform(\ data, (1,0), (colormapScaling,3.0), "RGBX", colormapName, 0, (minData,maxData), (0, 255), 1) else: if len(colormap) < 7: print("Missing colormap log flag assuming linear") colormap.append(spslut.LINEAR) if goodData: (pixmap, size, minmax)= spslut.transform(\ data, (1,0), (colormap[6],3.0), "RGBX", COLORMAP_LIST[int(str(colormap[0]))], colormap[1], (colormap[2],colormap[3]), (0, 255), 1) elif colormap[1]: #autoscale if minData is None: colormapName = COLORMAP_LIST[min(DEFAULT_COLORMAP_INDEX, len(COLORMAP_LIST) - 1)] colormapScaling = DEFAULT_COLORMAP_LOG_FLAG (pixmap, size, minmax)= spslut.transform(\ data, (1,0), (colormapScaling, 3.0), "RGBX", colormapName, 1, (0, 1), (0, 255), 1) else: (pixmap, size, minmax)= spslut.transform(\ data, (1,0), (colormap[6],3.0), "RGBX", COLORMAP_LIST[int(str(colormap[0]))], 0, (minData, maxData), (0,255), 1) else: (pixmap, size, minmax)= spslut.transform(\ data, (1,0), (colormap[6],3.0), "RGBX", COLORMAP_LIST[int(str(colormap[0]))], colormap[1], (colormap[2],colormap[3]), (0,255), 1) # make sure alpha is set pixmap.shape = -1, 4 pixmap[:, 3] = 255 pixmap.shape = list(data.shape) + [4] if not goodData: pixmap[finiteData < 1] = 255 if mask is not None: return applyMaskToImage(pixmap, mask, colors=colors, copy=False) return pixmap def applyMaskToImage(pixmap, mask=None, colors=None, copy=True): """ Calculate the resulting pixmap after applying a mask. Each value of the mask indicates the color index to be used. :param pixmap: Numpy array of RGBA values. :type pixmap: Numpy ndarray. :param mask: Numpy array of positive indices. Usually of type uint8. :type mask: Numpy ndarray. :param colors: Array of dimension (n_colors, 4) containing the RGBA colors. :type colors: Numpy ndarray of uint8 values. :param copy: Flag to indicate if a copy of th einput pixmap is to be made. :type copy: Boolean, default True. :returns: The resulting pixmap. """ if copy: pixmap = pixmap.copy() if mask is None: return pixmap maxValue = mask.max() startIndex = mask.min() if colors is None: if maxValue == 1: startIndex = 1 colors = numpy.zeros((2, 4), dtype=numpy.uint8) colors[1, 3] = 255 else: raise ValueError("Different mask levels require color list input") oldShape = pixmap.shape pixmap.shape = -1, 4 maskView = mask[:] maskView.shape = -1, blendFactor = 0.8 for i in range(startIndex, maxValue + 1): idx = (maskView==i) pixmap[idx, :] = pixmap[idx, :] * blendFactor + \ colors[i] * (1.0 - blendFactor) pixmap.shape = oldShape return pixmap if __name__ == "__main__": from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaGui import PlotWidget app = qt.QApplication([]) w = PlotWidget.PlotWidget() data = numpy.arange(10000.).reshape(100, 100) mask = numpy.zeros(data.shape, dtype=numpy.uint8) mask[25:75, 25:75] = 1 image = getPixmapFromData(data, mask=mask) w.addImage(image, mask=mask) w.show() app.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/plotting/PlotWindow.py0000644000276300001750000020426313173367502022035 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2017 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" __doc__ = """ This window handles plugins and adds a toolbar to the PlotWidget. Currently the only dependency on PyMca is through the Icons. """ import copy import sys import os import time import traceback import numpy from numpy import argsort, nonzero, take from . import LegendSelector from .ObjectPrintConfigurationDialog import ObjectPrintConfigurationDialog from . import McaROIWidget from . import PlotWidget from . import MaskImageTools from . import RenameCurveDialog try: from . import ColormapDialog COLORMAP_DIALOG = True except: COLORMAP_DIALOG = False from .PyMca_Icons import IconDict from PyMca5.PyMcaGui import PyMcaQt as qt if hasattr(qt, 'QString'): QString = qt.QString else: QString = qt.safe_str QTVERSION = qt.qVersion() DEBUG = 0 class PlotWindow(PlotWidget.PlotWidget): sigROISignal = qt.pyqtSignal(object) sigIconSignal = qt.pyqtSignal(object) sigColormapChangedSignal = qt.pyqtSignal(object) DEFAULT_COLORMAP_INDEX = MaskImageTools.DEFAULT_COLORMAP_INDEX DEFAULT_COLORMAP_LOG_FLAG = MaskImageTools.DEFAULT_COLORMAP_LOG_FLAG def __init__(self, parent=None, backend=None, plugins=True, newplot=False, control=False, position=False, **kw): super(PlotWindow, self).__init__(parent=parent, backend=backend) self.pluginsIconFlag = plugins self.newplotIconsFlag = newplot self.setWindowType(None) # None, "SCAN", "MCA" self._initIcons() self._buildToolBar(kw) self.setIconSize(qt.QSize(16, 16)) self._toggleCounter = 0 self._keepDataAspectRatioFlag = False self.gridLevel = 0 self.legendWidget = None self.usePlotBackendColormap = False # Toggle usage of backend colormap self.setCallback(self.graphCallback) if control or position: self._buildGraphBottomWidget(control, position) self._controlMenu = None # default print configuration (uses full page) self._printMenu = None self._printConfigurationDialog = None self._printConfiguration = {"xOffset": 0.1, "yOffset": 0.1, "width": 0.9, "height": 0.9, "units": "page", "keepAspectRatio": True} # own save action self.enableOwnSave(True) # activeCurve handling self.enableActiveCurveHandling(True) self.setActiveCurveColor('black') # default ROI handling self.roiWidget = None self._middleROIMarkerFlag = False #colormap handling self.colormapDialog = None self.colormap = None def enableOwnSave(self, flag=True): if flag: self._ownSave = True else: self._ownSave = False def _buildGraphBottomWidget(self, control, position): widget = self.centralWidget() self.graphBottom = qt.QWidget(widget) self.graphBottomLayout = qt.QHBoxLayout(self.graphBottom) self.graphBottomLayout.setContentsMargins(0, 0, 0, 0) self.graphBottomLayout.setSpacing(0) if control: self.graphControlButton = qt.QPushButton(self.graphBottom) self.graphControlButton.setText("Options") self.graphControlButton.setAutoDefault(False) self.graphBottomLayout.addWidget(self.graphControlButton) self.graphControlButton.clicked.connect(self._graphControlClicked) if position: label=qt.QLabel(self.graphBottom) label.setText('X:') self.graphBottomLayout.addWidget(label) self._xPos = qt.QLineEdit(self.graphBottom) self._xPos.setText('------') self._xPos.setReadOnly(1) self._xPos.setFixedWidth(self._xPos.fontMetrics().width('##############')) self.graphBottomLayout.addWidget(self._xPos) label=qt.QLabel(self.graphBottom) label.setText('Y:') self.graphBottomLayout.addWidget(label) self._yPos = qt.QLineEdit(self.graphBottom) self._yPos.setText('------') self._yPos.setReadOnly(1) self._yPos.setFixedWidth(self._yPos.fontMetrics().width('##############')) self.graphBottomLayout.addWidget(self._yPos) self.graphBottomLayout.addWidget(qt.HorizontalSpacer(self.graphBottom)) widget.layout().addWidget(self.graphBottom) def setPrintMenu(self, menu): self._printMenu = menu def setWindowType(self, wtype=None): if wtype not in [None, "SCAN", "MCA"]: print("Unsupported window type. Default to None") self._plotType = wtype def _graphControlClicked(self): if self._controlMenu is None: #create a default menu controlMenu = qt.QMenu() controlMenu.addAction(QString("Show/Hide Legends"), self.toggleLegendWidget) controlMenu.addAction(QString("Toggle Crosshair"), self.toggleCrosshairCursor) controlMenu.addAction(QString("Toggle Arrow Keys Panning"), self.toggleArrowKeysPanning) controlMenu.exec_(self.cursor().pos()) else: self._controlMenu.exec_(self.cursor().pos()) def setControlMenu(self, menu=None): self._controlMenu = menu def _initIcons(self): self.normalIcon = qt.QIcon(qt.QPixmap(IconDict["normal"])) self.zoomIcon = qt.QIcon(qt.QPixmap(IconDict["zoom"])) self.roiIcon = qt.QIcon(qt.QPixmap(IconDict["roi"])) self.peakIcon = qt.QIcon(qt.QPixmap(IconDict["peak"])) self.energyIcon = qt.QIcon(qt.QPixmap(IconDict["energy"])) self.zoomResetIcon = qt.QIcon(qt.QPixmap(IconDict["zoomreset"])) self.roiResetIcon = qt.QIcon(qt.QPixmap(IconDict["roireset"])) self.peakResetIcon = qt.QIcon(qt.QPixmap(IconDict["peakreset"])) self.refreshIcon = qt.QIcon(qt.QPixmap(IconDict["reload"])) self.logxIcon = qt.QIcon(qt.QPixmap(IconDict["logx"])) self.logyIcon = qt.QIcon(qt.QPixmap(IconDict["logy"])) self.xAutoIcon = qt.QIcon(qt.QPixmap(IconDict["xauto"])) self.yAutoIcon = qt.QIcon(qt.QPixmap(IconDict["yauto"])) self.gridIcon = qt.QIcon(qt.QPixmap(IconDict["grid16"])) self.hFlipIcon = qt.QIcon(qt.QPixmap(IconDict["gioconda16mirror"])) self.togglePointsIcon = qt.QIcon(qt.QPixmap(IconDict["togglepoints"])) self.solidCircleIcon = qt.QIcon(qt.QPixmap(IconDict["solidcircle"])) self.solidEllipseIcon = qt.QIcon(qt.QPixmap(IconDict["solidellipse"])) self.fitIcon = qt.QIcon(qt.QPixmap(IconDict["fit"])) self.searchIcon = qt.QIcon(qt.QPixmap(IconDict["peaksearch"])) self.averageIcon = qt.QIcon(qt.QPixmap(IconDict["average16"])) self.deriveIcon = qt.QIcon(qt.QPixmap(IconDict["derive"])) self.smoothIcon = qt.QIcon(qt.QPixmap(IconDict["smooth"])) self.swapSignIcon = qt.QIcon(qt.QPixmap(IconDict["swapsign"])) self.yMinToZeroIcon = qt.QIcon(qt.QPixmap(IconDict["ymintozero"])) self.subtractIcon = qt.QIcon(qt.QPixmap(IconDict["subtract"])) self.colormapIcon = qt.QIcon(qt.QPixmap(IconDict["colormap"])) self.imageIcon = qt.QIcon(qt.QPixmap(IconDict["image"])) self.eraseSelectionIcon = qt.QIcon(qt.QPixmap(IconDict["eraseselect"])) self.rectSelectionIcon = qt.QIcon(qt.QPixmap(IconDict["boxselect"])) self.brushSelectionIcon = qt.QIcon(qt.QPixmap(IconDict["brushselect"])) self.brushIcon = qt.QIcon(qt.QPixmap(IconDict["brush"])) self.additionalIcon = qt.QIcon(qt.QPixmap(IconDict["additionalselect"])) self.polygonIcon = qt.QIcon(qt.QPixmap(IconDict["polygon"])) self.printIcon = qt.QIcon(qt.QPixmap(IconDict["fileprint"])) self.saveIcon = qt.QIcon(qt.QPixmap(IconDict["filesave"])) self.pluginIcon = qt.QIcon(qt.QPixmap(IconDict["plugin"])) def _buildToolBar(self, kw=None): if kw is None: kw = {} self.toolBar = qt.QToolBar(self) self.toolBarActionsDict = {} #Autoscale self._addToolButton(self.zoomResetIcon, self._zoomReset, 'Auto-Scale the Graph', key=None) #y Autoscale self.yAutoScaleButton = self._addToolButton(self.yAutoIcon, self._yAutoScaleToggle, 'Toggle Autoscale Y Axis (On/Off)', toggle = True, key=None) self.yAutoScaleButton.setChecked(True) self.yAutoScaleButton.setDown(True) #x Autoscale self.xAutoScaleButton = self._addToolButton(self.xAutoIcon, self._xAutoScaleToggle, 'Toggle Autoscale X Axis (On/Off)', toggle = True, key=None) self.xAutoScaleButton.setChecked(True) self.xAutoScaleButton.setDown(True) #y Logarithmic if kw.get('logy', True): self.yLogButton = self._addToolButton(self.logyIcon, self._toggleLogY, 'Toggle Logarithmic Y Axis (On/Off)', toggle = True, key='logy') self.yLogButton.setChecked(False) self.yLogButton.setDown(False) #x Logarithmic if kw.get('logx', True): self.xLogButton = self._addToolButton(self.logxIcon, self._toggleLogX, 'Toggle Logarithmic X Axis (On/Off)', toggle = True, key='logx') self.xLogButton.setChecked(False) self.xLogButton.setDown(False) #Aspect ratio if kw.get('aspect', False): self.aspectButton = self._addToolButton(self.solidCircleIcon, self._aspectButtonSignal, 'Keep data aspect ratio', toggle = False, key='aspect') self.aspectButton.setChecked(False) #self.aspectButton.setDown(False) #colormap if kw.get('colormap', False): tb = self._addToolButton(self.colormapIcon, self._colormapIconSignal, 'Change Colormap', key='colormap') self.colormapToolButton = tb if kw.get('normal', False): tb = self._addToolButton(self.normalIcon, self._normalIconSignal, 'Set normal (default) mode', key='normal') self.normalToolButton = tb # image and selection related icons if kw.get('imageIcons', False) or kw.get('imageicons', False): tb = self._addToolButton(self.imageIcon, self._imageIconSignal, 'Reset', key='image') self.imageToolButton = tb tb = self._addToolButton(self.eraseSelectionIcon, self._eraseSelectionIconSignal, 'Erase Selection', key="erase") self.eraseSelectionToolButton = tb tb = self._addToolButton(self.rectSelectionIcon, self._rectSelectionIconSignal, 'Rectangular Selection', key="rectangle") self.rectSelectionToolButton = tb tb = self._addToolButton(self.brushSelectionIcon, self._brushSelectionIconSignal, 'Brush Selection', key="brushSelection") self.brushSelectionToolButton = tb tb = self._addToolButton(self.brushIcon, self._brushIconSignal, 'Select Brush', key="brush") self.brushToolButton = tb if kw.get("polygon", False): tb = self._addToolButton(self.polygonIcon, self._polygonIconSignal, 'Polygon selection', key="polygon") self.polygonSelectionToolButton = tb tb = self._addToolButton(self.additionalIcon, self._additionalIconSignal, 'Additional Selections Menu', key="additional") self.additionalSelectionToolButton = tb else: if kw.get("polygon", False): tb = self._addToolButton(self.polygonIcon, self._polygonIconSignal, 'Polygon selection', key="polygon") self.polygonSelectionToolButton = tb self.imageToolButton = None #flip if kw.get('flip', False) or kw.get('hflip', False): tb = self._addToolButton(self.hFlipIcon, self._hFlipIconSignal, 'Flip Horizontal', key="hflip") self.hFlipToolButton = tb #grid if kw.get('grid', True): tb = self._addToolButton(self.gridIcon, self.changeGridLevel, 'Change Grid', toggle = False, key="grid") self.gridTb = tb #toggle Points/Lines if kw.get('togglePoints', True): tb = self._addToolButton(self.togglePointsIcon, self._togglePointsSignal, 'Toggle Points/Lines', key="togglePoints") #energy icon if kw.get('energy', False): self.energyButton = self._addToolButton(self.energyIcon, self._energyIconSignal, 'Toggle Energy Axis (On/Off)', toggle=True, key="energy") #roi icon if kw.get('roi', False): self.roiButton = self._addToolButton(self.roiIcon, self.__toggleROI, 'Show/Hide ROI widget', toggle=False, key="roi") self.currentROI = None self.middleROIMarkerFlag = False #fit icon if kw.get('fit', False): self.fitButton = self._addToolButton(self.fitIcon, self._fitIconSignal, 'Fit of Active Curve', key="fit") if self.newplotIconsFlag: tb = self._addToolButton(self.averageIcon, self._averageIconSignal, 'Average Plotted Curves') tb = self._addToolButton(self.deriveIcon, self._deriveIconSignal, 'Take Derivative of Active Curve') tb = self._addToolButton(self.smoothIcon, self._smoothIconSignal, 'Smooth Active Curve') tb = self._addToolButton(self.swapSignIcon, self._swapSignIconSignal, 'Multiply Active Curve by -1') tb = self._addToolButton(self.yMinToZeroIcon, self._yMinToZeroIconSignal, 'Force Y Minimum to be Zero') tb = self._addToolButton(self.subtractIcon, self._subtractIconSignal, 'Subtract Active Curve') #save infotext = 'Save Active Curve or Widget' tb = self._addToolButton(self.saveIcon, self._saveIconSignal, infotext) if self.pluginsIconFlag: infotext = "Call/Load 1D Plugins" tb = self._addToolButton(self.pluginIcon, self._pluginClicked, infotext) self.toolBar.addWidget(qt.HorizontalSpacer(self.toolBar)) # ---print tb = self._addToolButton(self.printIcon, self._printGraph, 'Prints the Graph') self.addToolBar(self.toolBar) def _printGraph(self): if self._printMenu is None: printMenu = qt.QMenu() #printMenu.addAction(QString("Select printer"), # self._printerSelect) printMenu.addAction(QString("Customize printing"), self._getPrintConfigurationFromDialog) printMenu.addAction(QString("Print"), self.printGraph) printMenu.exec_(self.cursor().pos()) else: self._printMenu.exec_(self.cursor().pos()) def printGraph(self, *var, **kw): config = self.getPrintConfiguration() PlotWidget.PlotWidget.printGraph(self, width=config['width'], height=config['height'], xOffset=config['xOffset'], yOffset=config['yOffset'], units=config['units'], keepAspectRatio=config['keepAspectRatio'], printer=self._printer) def setPrintConfiguration(self, configuration, printer=None): for key in self._printConfiguration: if key in configuration: self._printConfiguration[key] = configuration[key] if printer is not None: # printer should be a global thing ... self._printer = printer def getPrintConfiguration(self, dialog=False): if dialog: self._getPrintConfigurationFromDialog() return copy.deepcopy(self._printConfiguration) def _getPrintConfigurationFromDialog(self): if self._printConfigurationDialog is None: self._printConfigurationDialog = \ ObjectPrintConfigurationDialog(self) oldConfig = self.getPrintConfiguration() self._printConfigurationDialog.setPrintConfiguration(oldConfig, printer=self._printer) if self._printConfigurationDialog.exec_(): self.setPrintConfiguration(\ self._printConfigurationDialog.getPrintConfiguration()) def _addToolButton(self, icon, action, tip, toggle=None, key=None): tb = qt.QToolButton(self.toolBar) tb.setIcon(icon) tb.setToolTip(tip) if toggle is not None: if toggle: tb.setCheckable(1) qtAction = self.toolBar.addWidget(tb) if key is not None: if not hasattr(self, "toolBarActionsDict"): self.toolBarActionsDict = {} self.toolBarActionsDict[key] = qtAction tb.clicked.connect(action) return tb def setToolBarActionVisible(self, action, visible=True): if hasattr(self, "toolBarActionsDict"): for key in self.toolBarActionsDict: if hasattr(key, "lower") and hasattr(action, "lower"): if key.lower() == action.lower(): self.toolBarActionsDict[key].setVisible(visible) return elif key == action: self.toolBarActionsDict[key].setVisible(visible) return if DEBUG: print("Unhandled action %s" % action) def _aspectButtonSignal(self): if DEBUG: print("_aspectButtonSignal") if self._keepDataAspectRatioFlag: self.keepDataAspectRatio(False) else: self.keepDataAspectRatio(True) def keepDataAspectRatio(self, flag=True): if flag: self._keepDataAspectRatioFlag = True self.aspectButton.setIcon(self.solidEllipseIcon) self.aspectButton.setToolTip("Set free data aspect ratio") else: self._keepDataAspectRatioFlag = False self.aspectButton.setIcon(self.solidCircleIcon) self.aspectButton.setToolTip("Keep data aspect ratio") super(PlotWindow, self).keepDataAspectRatio(self._keepDataAspectRatioFlag) def _zoomReset(self): if DEBUG: print("_zoomReset") self.resetZoom() def _yAutoScaleToggle(self): if DEBUG: print("toggle Y auto scaling") if self.isYAxisAutoScale(): self.setYAxisAutoScale(False) self.yAutoScaleButton.setDown(False) self.yAutoScaleButton.setChecked(False) ymin, ymax = self.getGraphYLimits() self.setGraphYLimits(ymin, ymax) else: self.setYAxisAutoScale(True) self.yAutoScaleButton.setDown(True) self.resetZoom() def _xAutoScaleToggle(self): if DEBUG: print("toggle X auto scaling") if self.isXAxisAutoScale(): self.setXAxisAutoScale(False) self.xAutoScaleButton.setDown(False) self.xAutoScaleButton.setChecked(False) xmin, xmax = self.getGraphXLimits() self.setGraphXLimits(xmin, xmax) else: self.setXAxisAutoScale(True) self.xAutoScaleButton.setDown(True) self.resetZoom() def _toggleLogX(self): if DEBUG: print("toggle logarithmic X scale") if self.isXAxisLogarithmic(): self.setXAxisLogarithmic(False) else: self.setXAxisLogarithmic(True) def setXAxisLogarithmic(self, flag=True): super(PlotWindow, self).setXAxisLogarithmic(flag) self.xLogButton.setChecked(flag) self.xLogButton.setDown(flag) self.replot() self.resetZoom() def _toggleLogY(self): if DEBUG: print("_toggleLogY") if self.isYAxisLogarithmic(): self.setYAxisLogarithmic(False) else: self.setYAxisLogarithmic(True) def setYAxisLogarithmic(self, flag=True): super(PlotWindow, self).setYAxisLogarithmic(flag) self.yLogButton.setChecked(flag) self.yLogButton.setDown(flag) # TODO: setYAxisLogarithmic already calls replot # in addition resetZoom also does it self.replot() self.resetZoom() def _togglePointsSignal(self): if DEBUG: print("toggle points signal") self._toggleCounter = (self._toggleCounter + 1) % 3 if self._toggleCounter == 1: self.setDefaultPlotLines(True) self.setDefaultPlotPoints(True) elif self._toggleCounter == 2: self.setDefaultPlotLines(False) self.setDefaultPlotPoints(True) else: self.setDefaultPlotLines(True) self.setDefaultPlotPoints(False) self.replot() def _hFlipIconSignal(self): if DEBUG: print("_hFlipIconSignal called") if self.isYAxisInverted(): self.invertYAxis(False) else: self.invertYAxis(True) def _colormapIconSignal(self): image = self.getActiveImage() if image is None: return image, legend, info, pixmap = image[:4] if pixmap is not None: # image contains the data and pixmap contains its representation if self.colormapDialog is None: self._initColormapDialog(image) self.colormapDialog.show() elif image is not None and info["plot_colormap"] is not None: if self.colormapDialog is None: self._initColormapDialog(image, info['plot_colormap']) self.colormapDialog.show() else: print("No colormap to be handled") return def _initColormapDialog(self, imageData, colormap=None): """Set-up the colormap dialog default values. :param numpy.ndarray imageData: data used to init dialog. :param dict colormap: Description of the colormap as a dict. See :class:`PlotBackend` for details. If None, use default values. """ if not COLORMAP_DIALOG: raise ImportError("ColormapDialog could not be imported") goodData = imageData[numpy.isfinite(imageData)] if goodData.size > 0: maxData = goodData.max() minData = goodData.min() else: qt.QMessageBox.critical(self, "No Data", "Image data does not contain any real value") return self.colormapDialog = ColormapDialog.ColormapDialog(self) if colormap is None: colormapIndex = self.DEFAULT_COLORMAP_INDEX if colormapIndex == 6: colormapIndex = 1 self.colormapDialog.setColormap(colormapIndex) self.colormapDialog.setDataMinMax(minData, maxData) self.colormapDialog.setAutoscale(1) self.colormapDialog.setColormap(self.colormapDialog.colormapIndex) # linear or logarithmic self.colormapDialog.setColormapType(self.DEFAULT_COLORMAP_LOG_FLAG, update=False) else: # Set-up colormap dialog from provided colormap dict cmapList = ColormapDialog.colormapDictToList(colormap) index, autoscale, vMin, vMax, dataMin, dataMax, cmapType = cmapList self.colormapDialog.setColormap(index) self.colormapDialog.setAutoscale(autoscale) self.colormapDialog.setMinValue(vMin) self.colormapDialog.setMaxValue(vMax) self.colormapDialog.setDataMinMax(minData, maxData) self.colormapDialog.setColormapType(cmapType, update=False) self.colormap = self.colormapDialog.getColormap() # Is it used? self.colormapDialog.setWindowTitle("Colormap Dialog") self.colormapDialog.sigColormapChanged.connect(\ self.updateActiveImageColormap) self.colormapDialog._update() def updateActiveImageColormap(self, colormap, replot=True): if len(colormap) == 1: colormap = colormap[0] # TODO: Once everything is ready to work with dict instead of # list, we can remove this translation plotBackendColormap = ColormapDialog.colormapListToDict(colormap) self.setDefaultColormap(plotBackendColormap) self.sigColormapChangedSignal.emit(plotBackendColormap) image = self.getActiveImage() if image is None: if self.colormapDialog is not None: self.colormapDialog.hide() return image, legend, info, pixmap = image[:4] if self.usePlotBackendColormap: self.addImage(image, legend=legend, info=info, colormap=plotBackendColormap, replot=replot) else: if pixmap is None: if self.colormapDialog is not None: self.colormapDialog.hide() return pixmap = MaskImageTools.getPixmapFromData(image, colormap) self.addImage(image, legend=legend, info=info, pixmap=pixmap, replot=replot) def _normalIconSignal(self): if DEBUG: print("_normalIconSignal") # default implementation is setting zoom mode self.setZoomModeEnabled(True) def showRoiWidget(self, position=None): self._toggleROI(position) def __toggleROI(self): self._toggleROI() def _toggleROI(self, position=None): if DEBUG: print("_toggleROI called") if self.roiWidget is None: self.roiWidget = McaROIWidget.McaROIWidget() self.roiDockWidget = qt.QDockWidget(self) self.roiDockWidget.layout().setContentsMargins(0, 0, 0, 0) self.roiDockWidget.setWidget(self.roiWidget) if position in [None, False]: w = self.centralWidget().width() h = self.centralWidget().height() if w > (1.25 * h): self.addDockWidget(qt.Qt.RightDockWidgetArea, self.roiDockWidget) else: self.addDockWidget(qt.Qt.BottomDockWidgetArea, self.roiDockWidget) else: self.addDockWidget(position, self.roiDockWidget) if hasattr(self, "legendDockWidget"): self.tabifyDockWidget(self.legendDockWidget, self.roiDockWidget) self.roiWidget.sigMcaROIWidgetSignal.connect(self._roiSignal) self.roiDockWidget.setWindowTitle(self.windowTitle()+(" ROI")) # initialize with the ICR self._roiSignal({'event': "AddROI"}) if self.roiDockWidget.isHidden(): self.roiDockWidget.show() else: self.roiDockWidget.hide() def changeGridLevel(self): self.gridLevel += 1 #self.gridLevel = self.gridLevel % 3 self.gridLevel = self.gridLevel % 2 if self.gridLevel == 0: self.showGrid(False) elif self.gridLevel == 1: self.showGrid(1) elif self.gridLevel == 2: self.showGrid(2) self.replot() def emitIconSignal(self, key, event="iconClicked"): ddict = {} ddict["key"] = key ddict["event"] = event self.sigIconSignal.emit(ddict) def _energyIconSignal(self): if DEBUG: print("energy icon signal default implementation") self.emitIconSignal("energy") def _fitIconSignal(self): if DEBUG: print("fit icon signal default implementation") self.emitIconSignal("fit") def _averageIconSignal(self): if DEBUG: print("average icon signal default implementation") self.emitIconSignal("average") def _deriveIconSignal(self): if DEBUG: print("deriveIconSignal default implementation") self.emitIconSignal("derive") def _smoothIconSignal(self): if DEBUG: print("smoothIconSignal default implementation") self.emitIconSignal("smooth") def _swapSignIconSignal(self): if DEBUG: print("_swapSignIconSignal default implementation") self.emitIconSignal("swap") def _yMinToZeroIconSignal(self): if DEBUG: print("_yMinToZeroIconSignal default implementation") self.emitIconSignal("ymintozero") def _subtractIconSignal(self): if DEBUG: print("_subtractIconSignal default implementation") self.emitIconSignal("subtract") def _saveIconSignal(self): if DEBUG: print("_saveIconSignal default implementation") if self._ownSave: self.defaultSaveAction() else: self.emitIconSignal("save") def _imageIconSignal(self): if DEBUG: print("_imageIconSignal default implementation") self.emitIconSignal("image") def _eraseSelectionIconSignal(self): if DEBUG: print("_eraseSelectionIconSignal default implementation") self.emitIconSignal("erase") def _rectSelectionIconSignal(self): if DEBUG: print("_rectSelectionIconSignal") #default implementation set drawing mode with a mask self.setDrawModeEnabled(True, shape="rectangle", label="mask") def _brushSelectionIconSignal(self): if DEBUG: print("_brushSelectionIconSignal default implementation") self.emitIconSignal("brushSelection") def _brushIconSignal(self): if DEBUG: print("_brushIconSignal default implementation") self.emitIconSignal("brush") def _additionalIconSignal(self): if DEBUG: print("_additionalIconSignal default implementation") self.emitIconSignal("additional") def _polygonIconSignal(self): if DEBUG: print("_polygonIconSignal") #default implementation set drawing mode with a mask self.setDrawModeEnabled(True, shape="polygon", label="mask") def _pluginClicked(self): actionList = [] menu = qt.QMenu(self) text = QString("Reload Plugins") menu.addAction(text) actionList.append(text) text = QString("Set User Plugin Directory") menu.addAction(text) actionList.append(text) global DEBUG if DEBUG: text = QString("Toggle DEBUG mode OFF") else: text = QString("Toggle DEBUG mode ON") menu.addAction(text) actionList.append(text) menu.addSeparator() callableKeys = ["Dummy0", "Dummy1", "Dummy2"] for m in self.pluginList: if m in ["PyMcaPlugins.Plugin1DBase", "Plugin1DBase"]: continue module = sys.modules[m] if hasattr(module, 'MENU_TEXT'): text = QString(module.MENU_TEXT) else: text = os.path.basename(module.__file__) if text.endswith('.pyc'): text = text[:-4] elif text.endswith('.py'): text = text[:-3] text = QString(text) methods = self.pluginInstanceDict[m].getMethods(plottype=self._plotType) if not len(methods): continue elif len(methods) == 1: pixmap = self.pluginInstanceDict[m].getMethodPixmap(methods[0]) tip = QString(self.pluginInstanceDict[m].getMethodToolTip(methods[0])) if pixmap is not None: action = qt.QAction(qt.QIcon(qt.QPixmap(pixmap)), text, self) else: action = qt.QAction(text, self) if tip is not None: action.setToolTip(tip) menu.addAction(action) else: menu.addAction(text) actionList.append(text) callableKeys.append(m) menu.hovered.connect(self._actionHovered) a = menu.exec_(qt.QCursor.pos()) if a is None: return None idx = actionList.index(a.text()) if idx == 0: n, message = self.getPlugins(exceptions=True) if n < 1: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Information) msg.setWindowTitle("No plugins") msg.setInformativeText(" Problem loading plugins ") msg.setDetailedText(message) msg.exec_() return if idx == 1: dirName = qt.safe_str(qt.QFileDialog.getExistingDirectory(self, "Enter user plugins directory", os.getcwd())) if len(dirName): pluginsDir = self.getPluginDirectoryList() pluginsDirList = [pluginsDir[0], dirName] self.setPluginDirectoryList(pluginsDirList) return if idx == 2: if DEBUG: DEBUG = 0 else: DEBUG = 1 return key = callableKeys[idx] methods = self.pluginInstanceDict[key].getMethods(plottype=self._plotType) if len(methods) == 1: idx = 0 else: actionList = [] # allow the plugin designer to specify the order #methods.sort() menu = qt.QMenu(self) for method in methods: text = QString(method) pixmap = self.pluginInstanceDict[key].getMethodPixmap(method) tip = QString(self.pluginInstanceDict[key].getMethodToolTip(method)) if pixmap is not None: action = qt.QAction(qt.QIcon(qt.QPixmap(pixmap)), text, self) else: action = qt.QAction(text, self) if tip is not None: action.setToolTip(tip) menu.addAction(action) actionList.append((text, pixmap, tip, action)) #qt.QObject.connect(menu, qt.SIGNAL("hovered(QAction *)"), self._actionHovered) menu.hovered.connect(self._actionHovered) a = menu.exec_(qt.QCursor.pos()) if a is None: return None idx = -1 for action in actionList: if a.text() == action[0]: idx = actionList.index(action) try: self.pluginInstanceDict[key].applyMethod(methods[idx]) except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setWindowTitle("Plugin error") msg.setText("An error has occured while executing the plugin:") msg.setInformativeText(str(sys.exc_info()[1])) msg.setDetailedText(traceback.format_exc()) msg.exec_() def _actionHovered(self, action): tip = action.toolTip() if str(tip) != str(action.text()): qt.QToolTip.showText(qt.QCursor.pos(), tip) else: # hideText was introduced in Qt 4.2 if hasattr(qt.QToolTip, "hideText"): qt.QToolTip.hideText() else: qt.QToolTip.showText(qt.QCursor.pos(), "") ########### ROI HANDLING ############### def graphCallback(self, ddict=None): if DEBUG: print("_graphSignalReceived", ddict) if ddict is None: ddict = {} if ddict['event'] in ['markerMoved', 'markerSelected']: label = ddict['label'] if label in ['ROI min', 'ROI max', 'ROI middle']: self._handleROIMarkerEvent(ddict) if ddict['event'] in ["curveClicked", "legendClicked"] and \ self.isActiveCurveHandlingEnabled(): legend = ddict["label"] self.setActiveCurve(legend) if ddict['event'] in ['mouseMoved']: self._handleMouseMovedEvent(ddict) #make sure the signal is forwarded #super(PlotWindow, self).graphCallback(ddict) self.sigPlotSignal.emit(ddict) def _handleMouseMovedEvent(self, ddict): if hasattr(self, "_xPos"): self._xPos.setText('%.7g' % ddict['x']) self._yPos.setText('%.7g' % ddict['y']) def setActiveCurve(self, legend, replot=True): PlotWidget.PlotWidget.setActiveCurve(self, legend, replot=replot) self.calculateROIs() self.updateLegends() def _handleROIMarkerEvent(self, ddict): if ddict['event'] == 'markerMoved': roiList, roiDict = self.roiWidget.getROIListAndDict() if self.currentROI is None: return if self.currentROI not in roiDict: return x = ddict['x'] label = ddict['label'] if label == 'ROI min': roiDict[self.currentROI]['from'] = x if self._middleROIMarkerFlag: pos = 0.5 * (roiDict[self.currentROI]['to'] +\ roiDict[self.currentROI]['from']) self.insertXMarker(pos, legend='ROI middle', text='', color='yellow', draggable=True) elif label == 'ROI max': roiDict[self.currentROI]['to'] = x if self._middleROIMarkerFlag: pos = 0.5 * (roiDict[self.currentROI]['to'] +\ roiDict[self.currentROI]['from']) self.insertXMarker(pos, legend='ROI middle', text='', color='yellow', draggable=True) elif label == 'ROI middle': delta = x - 0.5 * (roiDict[self.currentROI]['from'] + \ roiDict[self.currentROI]['to']) roiDict[self.currentROI]['from'] += delta roiDict[self.currentROI]['to'] += delta self.insertXMarker(roiDict[self.currentROI]['from'], legend='ROI min', text='ROI min', color='blue', draggable=True) self.insertXMarker(roiDict[self.currentROI]['to'], legend='ROI max', text='ROI max', color='blue', draggable=True) else: return self.calculateROIs(roiList, roiDict) self.emitCurrentROISignal() def _roiSignal(self, ddict): if DEBUG: print("PlotWindow._roiSignal ", ddict) if ddict['event'] == "AddROI": xmin,xmax = self.getGraphXLimits() fromdata = xmin + 0.25 * (xmax - xmin) todata = xmin + 0.75 * (xmax - xmin) self.removeMarker('ROI min') self.removeMarker('ROI max') if self._middleROIMarkerFlag: self.removeMarker('ROI middle') roiList, roiDict = self.roiWidget.getROIListAndDict() nrois = len(roiList) if nrois == 0: newroi = "ICR" fromdata, dummy0, todata, dummy1 = self._getAllLimits() draggable = False color = 'black' else: for i in range(nrois): i += 1 newroi = "newroi %d" % i if newroi not in roiList: break color = 'blue' draggable = True self.insertXMarker(fromdata, legend='ROI min', text='ROI min', color=color, draggable=draggable) self.insertXMarker(todata, legend='ROI max', text='ROI max', color=color, draggable=draggable) if draggable and self._middleROIMarkerFlag: pos = 0.5 * (fromdata + todata) self.insertXMarker(pos, legend='ROI middle', text="", color='yellow', draggable=draggable) roiList.append(newroi) roiDict[newroi] = {} if newroi == "ICR": roiDict[newroi]['type'] = "Default" else: roiDict[newroi]['type'] = self.getGraphXLabel() roiDict[newroi]['from'] = fromdata roiDict[newroi]['to'] = todata self.roiWidget.fillFromROIDict(roilist=roiList, roidict=roiDict, currentroi=newroi) self.currentROI = newroi self.calculateROIs() elif ddict['event'] in ['DelROI', "ResetROI"]: self.removeMarker('ROI min') self.removeMarker('ROI max') if self._middleROIMarkerFlag: self.removeMarker('ROI middle') roiList, roiDict = self.roiWidget.getROIListAndDict() roiDictKeys = list(roiDict.keys()) if len(roiDictKeys): currentroi = roiDictKeys[0] else: # create again the ICR ddict = {"event":"AddROI"} return self._roiSignal(ddict) currentroi = None self.roiWidget.fillFromROIDict(roilist=roiList, roidict=roiDict, currentroi=currentroi) self.currentROI = currentroi elif ddict['event'] == 'ActiveROI': print("ActiveROI event") pass elif ddict['event'] == 'selectionChanged': if DEBUG: print("Selection changed") self.roilist, self.roidict = self.roiWidget.getROIListAndDict() fromdata = ddict['roi']['from'] todata = ddict['roi']['to'] self.removeMarker('ROI min') self.removeMarker('ROI max') if ddict['key'] == 'ICR': draggable = False color = 'black' else: draggable = True color = 'blue' self.insertXMarker(fromdata, legend= 'ROI min', text= 'ROI min', color=color, draggable=draggable) self.insertXMarker(todata, legend= 'ROI max', text= 'ROI max', color=color, draggable=draggable) if draggable and self._middleROIMarkerFlag: pos = 0.5 * (fromdata + todata) self.insertXMarker(pos, legend='ROI middle', text="", color='yellow', draggable=True) self.currentROI = ddict['key'] if ddict['colheader'] in ['From', 'To']: dict0 ={} dict0['event'] = "SetActiveCurveEvent" dict0['legend'] = self.getActiveCurve(just_legend=1) self.setActiveCurve(dict0['legend']) elif ddict['colheader'] == 'Raw Counts': pass elif ddict['colheader'] == 'Net Counts': pass else: self.emitCurrentROISignal() else: if DEBUG: print("Unknown or ignored event", ddict['event']) def emitCurrentROISignal(self): ddict = {} ddict['event'] = "currentROISignal" roiList, roiDict = self.roiWidget.getROIListAndDict() if self.currentROI in roiDict: ddict['ROI'] = roiDict[self.currentROI] else: self.currentROI = None ddict['current'] = self.currentROI self.sigROISignal.emit(ddict) def calculateROIs(self, *var, **kw): if not hasattr(self, "roiWidget"): return if self.roiWidget is None: return if len(var) == 0: roiList, roiDict = self.roiWidget.getROIListAndDict() elif len(var) == 2: roiList = var[0] roiDict = var[1] else: raise ValueError("Expected roiList and roiDict or nothing") update = kw.get("update", True) activeCurve = self.getActiveCurve(just_legend=False) if activeCurve is None: xproc = None yproc = None self.roiWidget.setHeader('ROIs of XXXXXXXXXX<\b>') elif len(activeCurve): x, y, legend = activeCurve[0:3] idx = argsort(x, kind='mergesort') xproc = take(x, idx) yproc = take(y, idx) self.roiWidget.setHeader('ROIs of %s<\b>' % legend) else: xproc = None yproc = None self.roiWidget.setHeader('ROIs of XXXXXXXXXX<\b>') for key in roiList: #roiDict[key]['rawcounts'] = " ?????? " #roiDict[key]['netcounts'] = " ?????? " if key == 'ICR': if xproc is not None: roiDict[key]['from'] = xproc.min() roiDict[key]['to'] = xproc.max() else: roiDict[key]['from'] = 0 roiDict[key]['to'] = -1 fromData = roiDict[key]['from'] toData = roiDict[key]['to'] if xproc is not None: idx = nonzero((fromData <= xproc) &\ (xproc <= toData))[0] if len(idx): xw = xproc[idx] yw = yproc[idx] rawCounts = yw.sum(dtype=numpy.float) deltaX = xw[-1] - xw[0] deltaY = yw[-1] - yw[0] if deltaX > 0.0: slope = (deltaY/deltaX) background = yw[0] + slope * (xw - xw[0]) netCounts = rawCounts -\ background.sum(dtype=numpy.float) else: netCounts = 0.0 else: rawCounts = 0.0 netCounts = 0.0 roiDict[key]['rawcounts'] = rawCounts roiDict[key]['netcounts'] = netCounts if update: if self.currentROI in roiList: self.roiWidget.fillFromROIDict(roilist=roiList, roidict=roiDict, currentroi=self.currentROI) else: self.roiWidget.fillFromROIDict(roilist=roiList, roidict=roiDict) else: return roiList, roiDict def _buildLegendWidget(self): if self.legendWidget is None: self.legendWidget = LegendSelector.LegendListView() self.legendDockWidget = qt.QDockWidget(self) self.legendDockWidget.layout().setContentsMargins(0, 0, 0, 0) self.legendDockWidget.setWidget(self.legendWidget) w = self.centralWidget().width() h = self.centralWidget().height() if w > (1.25 * h): self.addDockWidget(qt.Qt.RightDockWidgetArea, self.legendDockWidget) else: self.addDockWidget(qt.Qt.BottomDockWidgetArea, self.legendDockWidget) if hasattr(self, "roiDockWidget"): if self.roiDockWidget is not None: self.tabifyDockWidget(self.roiDockWidget, self.legendDockWidget) self.legendWidget.sigLegendSignal.connect(self._legendSignal) self.legendDockWidget.setWindowTitle(self.windowTitle()+(" Legend")) def _legendSignal(self, ddict): if DEBUG: print("Legend signal ddict = ", ddict) if ddict['event'] == "legendClicked": if ddict['button'] == "left": ddict['label'] = ddict['legend'] self.graphCallback(ddict) elif ddict['event'] == "removeCurve": ddict['label'] = ddict['legend'] self.removeCurve(ddict['legend'], replot=True) elif ddict['event'] == "renameCurve": ddict['label'] = ddict['legend'] curveList = self.getAllCurves(just_legend=True) oldLegend = ddict['legend'] dialog = RenameCurveDialog.RenameCurveDialog(self, oldLegend, curveList) ret = dialog.exec_() if ret: newLegend = dialog.getText() self.renameCurve(oldLegend, newLegend, replot=True) elif ddict['event'] == "setActiveCurve": ddict['event'] = 'legendClicked' ddict['label'] = ddict['legend'] self.graphCallback(ddict) elif ddict['event'] == "checkBoxClicked": if ddict['selected']: self.hideCurve(ddict['legend'], False) else: self.hideCurve(ddict['legend'], True) elif ddict['event'] in ["mapToRight", "mapToLeft"]: legend = ddict['legend'] x, y, legend, info = self._curveDict[legend][0:4] if ddict['event'] == "mapToRight": yaxis = "right" else: yaxis = "left" self.addCurve(x, y, legend=legend, info=info, yaxis=yaxis) elif ddict['event'] == "togglePoints": legend = ddict['legend'] x, y, legend, info = self._curveDict[legend][0:4] if ddict['points']: symbol = 'o' else: symbol = '' # TODO: Limits should be kept self.addCurve(x, y, legend=legend, info=info, symbol=symbol) self.updateLegends() elif ddict['event'] == "toggleLine": legend = ddict['legend'] x, y, legend, info = self._curveDict[legend][0:4] # TODO: Limits should be kept if ddict['line']: self.addCurve(x, y, legend=legend, info=info, linestyle="-") else: self.addCurve(x, y, legend, info=info, linestyle="") self.updateLegends() elif DEBUG: print("unhandled event", ddict['event']) def renameCurve(self, oldLegend, newLegend, replot=True): x, y,legend, info = self._curveDict[oldLegend][0:4] self.removeCurve(oldLegend, replot=False) self.addCurve(x, y, legend=newLegend, info=info, replot=True) self.updateLegends() def toggleLegendWidget(self): if self.legendWidget is None: self.showLegends(True) elif self.legendDockWidget.isHidden(): self.showLegends(True) else: self.showLegends(False) def toggleCrosshairCursor(self): if self.getGraphCursor(): self.setGraphCursor(False) else: self.setGraphCursor(True, color="red", linewidth=1, linestyle="-") def toggleArrowKeysPanning(self): if self.isPanWithArrowKeys(): self.setPanWithArrowKeys(False) else: self.setPanWithArrowKeys(True) def showLegends(self, flag=True): if self.legendWidget is None: self._buildLegendWidget() self.updateLegends() if flag: self.legendDockWidget.show() self.updateLegends() else: self.legendDockWidget.hide() def updateLegends(self): if self.legendWidget is None: return if self.legendDockWidget.isHidden(): return legendList = [] * len(self._curveList) for i in range(len(self._curveList)): legend = self._curveList[i] color = self._curveDict[legend][3].get('plot_color', '#000000') color = qt.QColor(color) linewidth = self._curveDict[legend][3].get('plot_line_width', 2) symbol = self._curveDict[legend][3].get('plot_symbol', None) if self.isCurveHidden(legend): selected = False else: selected = True ddict={'color':color, 'linewidth':linewidth, 'symbol':symbol, 'selected':selected} legendList.append((legend, ddict)) self.legendWidget.setLegendList(legendList) def setMiddleROIMarkerFlag(self, flag=True): if flag: self._middleROIMarkerFlag = True else: self._middleROIMarkerFlag= False def setMouseText(self, text=""): try: if len(text): qt.QToolTip.showText(self.cursor().pos(), text, self, qt.QRect()) else: qt.QToolTip.hideText() except: print("Error trying to show mouse text <%s>" % text) def defaultSaveAction(self): """ Default save implementation. It handles saving of curves or the complete widget. """ filename = self._getOutputFileName() if filename is None: return filterused = filename[2] filetype = filename[1] filename = filename[0] if os.path.exists(filename): os.remove(filename) if filterused[0].upper() == "WIDGET": fformat = filename[-3:].upper() pixmap = qt.QPixmap.grabWidget(self) if not pixmap.save(filename, fformat): msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setInformativeText(str(sys.exc_info()[1])) msg.setDetailedText(traceback.format_exc()) msg.exec_() return try: if sys.version_info.major >= 3: ffile = open(filename, 'w', newline='\n') else: ffile = open(filename,'wb') except IOError: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setInformativeText("Input Output Error: %s" % (sys.exc_info()[1])) msg.setDetailedText(traceback.format_exc()) msg.exec_() return try: if not len(self._curveList): msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setInformativeText("No curve to be saved") msg.setDetailedText(traceback.format_exc()) msg.exec_() return activeCurve = self.getActiveCurve() if activeCurve is None: activeCurve = self._curveDict[self._curveList[0]] x, y, legend, info = activeCurve xlabel = self.getGraphXLabel() ylabel = self.getGraphYLabel() if filetype.lower() in ["scan", "multiscan"]: # write header ffile.write("#F %s\n" % filename) savingDate = "#D %s\n"%(time.ctime(time.time())) ffile.write(savingDate) ffile.write("\n") ffile.write("#S 1 %s\n" % legend) ffile.write(savingDate) ffile.write("#N 2\n") ffile.write("#L %s %s\n" % (info.get("xlabel", xlabel), info.get("ylabel", ylabel))) for i in range(len(y)): ffile.write("%.7g %.7g\n" % (x[i], y[i])) ffile.write("\n") if filetype.lower() == "multiscan": scan_n = 1 for key in self._curveList: if key not in self._curveDict: continue if key == legend: # active curve already saved continue x, y, newLegend, info = self._curveDict[key] scan_n += 1 ffile.write("#S %d %s\n" % (scan_n, key)) ffile.write(savingDate) ffile.write("#N 2\n") ffile.write("#L %s %s\n" % (info.get("xlabel", xlabel), info.get("ylabel", ylabel))) for i in range(len(y)): ffile.write("%.7g %.7g\n" % (x[i], y[i])) ffile.write("\n") elif filetype == 'ASCII': for i in range(len(y)): ffile.write("%.7g %.7g\n" % (x[i], y[i])) elif filetype == 'CSV': if "," in filterused[0]: csvseparator = "," elif ";" in filterused[0]: csvseparator = ";" elif "OMNIC" in filterused[0]: csvseparator = "," else: csvseparator = "\t" if "OMNIC" not in filterused[0]: ffile.write('"%s"%s"%s"\n' % (xlabel, csvseparator, ylabel)) for i in range(len(y)): ffile.write("%.7E%s%.7E\n" % (x[i], csvseparator,y[i])) else: ffile.write("#F %s\n" % filename) ffile.write("#D %s\n"%(time.ctime(time.time()))) ffile.write("\n") ffile.write("#S 1 %s\n" % legend) ffile.write("#D %s\n"%(time.ctime(time.time()))) ffile.write("#@MCA %16C\n") ffile.write("#@CHANN %d %d %d 1\n" % (len(y), x[0], x[-1])) ffile.write("#@CALIB %.7g %.7g %.7g\n" % (0, 1, 0)) ffile.write(self.array2SpecMca(y)) ffile.write("\n") ffile.close() except: ffile.close() msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setInformativeText("Error while saving: %s" % (sys.exc_info()[1])) msg.setDetailedText(traceback.format_exc()) msg.exec_() def _getOutputFileName(self): outfile = qt.QFileDialog(self) outfile.setWindowTitle("Output File Selection") outfile.setModal(1) filterlist = ['Specfile MultiScan *.dat', 'Specfile Scan *.dat', 'Specfile MCA *.mca', 'Raw ASCII *.txt', '","-separated CSV *.csv', '";"-separated CSV *.csv', '"tab"-separated CSV *.csv', 'OMNIC CSV *.csv', 'Widget PNG *.png', 'Widget JPG *.jpg'] if hasattr(outfile, "setFilters"): outfile.setFilters(filterlist) else: outfile.setNameFilters(filterlist) outfile.setFileMode(outfile.AnyFile) outfile.setAcceptMode(outfile.AcceptSave) ret = outfile.exec_() if not ret: return None if hasattr(outfile, "selectredFilter"): outputFilter = qt.safe_str(outfile.selectedFilter()) else: outputFilter = qt.safe_str(outfile.selectedNameFilter()) filterused = outputFilter.split() filetype = filterused[1] extension = filterused[2] outputFile = qt.safe_str(outfile.selectedFiles()[0]) outfile.close() del outfile if len(outputFile) < 5: outputFile = outputFile + extension[-4:] elif outputFile[-4:] != extension[-4:]: outputFile = outputFile + extension[-4:] return outputFile, filetype, filterused def array2SpecMca(self, data): """ Write a python array into a Spec array. Return the string containing the Spec array """ tmpstr = "@A " length = len(data) for idx in range(0, length, 16): if idx+15 < length: for i in range(0, 16): tmpstr += "%.8g " % data[idx+i] if idx+16 != length: tmpstr += "\\" else: for i in range(idx, length): tmpstr += "%.8g " % data[i] tmpstr += "\n" return tmpstr if __name__ == "__main__": x = numpy.arange(100.) y = x * x app = qt.QApplication([]) backend = None if ("opengl" in sys.argv) or ("gl" in sys.argv) or ("OpenGL" in sys.argv): backend = "opengl" elif "pyqtgraph" in sys.argv: backend = "pyqtgraph" plot = PlotWindow(backend=backend, roi=True, control=True, position=True, colormap=True)#uselegendmenu=True) plot.setPanWithArrowKeys(True) plot.show() plot.addCurve(x, y, "dummy") plot.addCurve(x+100, x*x) plot.addCurve(x, -y, "- dummy") print("Active curve = ", plot.getActiveCurve(just_legend=True)) print("X Limits = ", plot.getGraphXLimits()) print("Y Limits = ", plot.getGraphYLimits()) print("All curves = ", plot.getAllCurves(just_legend=True)) image = numpy.arange(10000).reshape(100, 100) plot.addImage(image, xScale=(0, 1), yScale=(0, 10), pixmap=MaskImageTools.getPixmapFromData(image)) def iconSlot(ddict): print(ddict) plot.sigIconSignal.connect(iconSlot) #plot.removeCurve("dummy") #plot.addCurve(x, 2 * y, "dummy 2") #print("All curves = ", plot.getAllCurves()) app.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/plotting/LegendSelector.py0000644000276300001750000010610513173367502022622 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2015-2017 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "T. Rueter - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys from PyMca5.PyMcaGui import PyMcaQt as qt from .PyMca_Icons import IconDict if hasattr(qt, "QString"): QString = qt.QString elif hasattr(qt, "safe_str"): QString = qt.safe_str else: QString= str if hasattr(qt, 'QVariant'): QVariant = qt.QVariant else: def QVariant(x=None): return x def convertToPyObject(x): if hasattr(x, "toPyObject"): return x.toPyObject() else: return x DEBUG = 0 # Build all symbols # Courtesy of the pyqtgraph project Symbols = dict([(name, qt.QPainterPath()) for name in ['o', 's', 't', 'd', '+', 'x', '.', ',']]) Symbols['o'].addEllipse(qt.QRectF(.1, .1, .8, .8)) Symbols['.'].addEllipse(qt.QRectF(.3, .3, .4, .4)) Symbols[','].addEllipse(qt.QRectF(.4, .4, .2, .2)) Symbols['s'].addRect(qt.QRectF(.1, .1, .8, .8)) coords = { 't': [(0.5, 0.), (.1,.8), (.9, .8)], 'd': [(0.1, 0.5), (0.5, 0.), (0.9, 0.5), (0.5, 1.)], '+': [(0.0, 0.40), (0.40, 0.40), (0.40, 0.), (0.60, 0.), (0.60, 0.40), (1., 0.40), (1., 0.60), (0.60, 0.60), (0.60, 1.), (0.40, 1.), (0.40, 0.60), (0., 0.60)], 'x': [(0.0, 0.40), (0.40, 0.40), (0.40, 0.), (0.60, 0.), (0.60, 0.40), (1., 0.40), (1., 0.60), (0.60, 0.60), (0.60, 1.), (0.40, 1.), (0.40, 0.60), (0., 0.60)] } for s, c in coords.items(): Symbols[s].moveTo(*c[0]) for x,y in c[1:]: Symbols[s].lineTo(x, y) Symbols[s].closeSubpath() tr = qt.QTransform() tr.rotate(45) Symbols['x'].translate(qt.QPointF(-0.5,-0.5)) Symbols['x'] = tr.map(Symbols['x']) Symbols['x'].translate(qt.QPointF(0.5,0.5)) class LegendIcon(qt.QWidget): def __init__(self, parent=None): super(LegendIcon, self).__init__(parent) # Visibilities self.showLine = True self.showSymbol = True # Line attributes self.lineStyle = qt.Qt.SolidLine self.lineWidth = 1. self.lineColor = qt.Qt.green self.symbol = '' # Symbol attributes self.symbolStyle = qt.Qt.SolidPattern self.symbolColor = qt.Qt.green self.symbolOutlineBrush = qt.QBrush(qt.Qt.white) # Control widget size: sizeHint "is the only acceptable # alternative, so the widget can never grow or shrink" # (c.f. Qt Doc, enum QSizePolicy::Policy) self.setSizePolicy(qt.QSizePolicy.Fixed, qt.QSizePolicy.Fixed) def sizeHint(self): return qt.QSize(50,15) # Modify Symbol def setSymbol(self, symbol): symbol = qt.safe_str(symbol) if symbol not in [None, "None", "", " "]: if symbol not in Symbols: raise ValueError("Unknown symbol: <%s>" % symbol) self.symbol = symbol # self.update() after set...? # Does not seem necessary def setSymbolColor(self, color): ''' :param color: determines the symbol color :type style: qt.QColor ''' self.symbolColor = qt.QColor(color) def setSymbolStyle(self, style): ''' :param style: Must be in Qt.BrushStyle :type style: int Possible joices are: Qt.NoBrush Qt.SolidPattern Qt.Dense1Pattern Qt.Dense2Pattern Qt.Dense3Pattern Qt.Dense4Pattern Qt.Dense5Pattern Qt.Dense6Pattern Qt.Dense7Pattern Qt.HorPattern Qt.VerPattern Qt.CrossPattern Qt.BDiagPattern Qt.FDiagPattern Qt.DiagCrossPattern Qt.LinearGradientPattern Qt.ConicalGradientPattern Qt.RadialGradientPattern ''' if style not in list(range(18)): raise ValueError('Unknown style: %d') self.symbolStyle = int(style) # Modify Line def setLineColor(self, color): self.lineColor = qt.QColor(color) def setLineWidth(self, width): self.lineWidth = float(width) def setLineStyle(self, style): ''' :param style: Must be in Qt.PenStyle :type style: int Possible joices are: Qt.NoPen Qt.SolidLine Qt.DashLine Qt.DotLine Qt.DashDotLine Qt.DashDotDotLine Qt.CustomDashLine ''' if style not in list(range(7)): raise ValueError('Unknown style: %d') self.lineStyle = int(style) # Paint def paintEvent(self, event): ''' :param event: event :type event: QPaintEvent ''' painter = qt.QPainter(self) self.paint(painter, event.rect(), self.palette()) def paint(self, painter, rect, palette): painter.save() painter.setRenderHint(qt.QPainter.Antialiasing) # Scale painter to the icon height # current -> width = 2.5, height = 1.0 scale = float(self.height()) ratio = float(self.width()) / scale painter.scale(scale, scale) symbolOffset = qt.QPointF(.5*(ratio-1.), 0.) # Determine and scale offset offset = qt.QPointF( float(rect.left())/scale, float(rect.top())/scale) # Draw BG rectangle (for debugging) #bottomRight = qt.QPointF( # float(rect.right())/scale, # float(rect.bottom())/scale) #painter.fillRect(qt.QRectF(offset, bottomRight), # qt.QBrush(qt.Qt.green)) llist = [] if self.showLine: linePath = qt.QPainterPath() linePath.moveTo(0.,0.5) linePath.lineTo(ratio,0.5) #linePath.lineTo(2.5,0.5) linePen = qt.QPen( qt.QBrush(self.lineColor), (self.lineWidth / self.height()), self.lineStyle, qt.Qt.FlatCap ) llist.append((linePath, linePen, qt.QBrush(self.lineColor))) if self.showSymbol and len(self.symbol) and\ self.symbol not in ["None", " "]: # PITFALL ahead: Let this be a warning to others #symbolPath = Symbols[self.symbol] # Copy before translate! Dict is a mutable type symbolPath = qt.QPainterPath(Symbols[self.symbol]) symbolPath.translate(symbolOffset) symbolBrush = qt.QBrush( self.symbolColor, self.symbolStyle ) symbolPen = qt.QPen( self.symbolOutlineBrush, # Brush 1./self.height(), # Width qt.Qt.SolidLine # Style ) llist.append((symbolPath, symbolPen, symbolBrush)) # Draw for path, pen, brush in llist: path.translate(offset) painter.setPen(pen) painter.setBrush(brush) painter.drawPath(path) painter.restore() class LegendModel(qt.QAbstractListModel): iconColorRole = qt.Qt.UserRole + 0 iconLineWidthRole = qt.Qt.UserRole + 1 showLineRole = qt.Qt.UserRole + 2 iconSymbolRole = qt.Qt.UserRole + 3 showSymbolRole = qt.Qt.UserRole + 4 legendTypeRole = qt.Qt.UserRole + 5 selectedRole = qt.Qt.UserRole + 6 activeRole = qt.Qt.UserRole + 7 def __init__(self, legendList=None, parent=None): super(LegendModel, self).__init__(parent) if legendList is None: legendList = [] self.legendList = [] self.insertLegendList(0,legendList) def __getitem__(self, idx): if idx >= len(self.legendList): raise IndexError('list index out of range') return self.legendList[idx] def rowCount(self, modelIndex=None): return len(self.legendList) def flags(self, index): return qt.Qt.ItemIsEditable |\ qt.Qt.ItemIsEnabled |\ qt.Qt.ItemIsSelectable def data(self, modelIndex, role): if modelIndex.isValid: idx = modelIndex.row() else: return None if idx >= len(self.legendList): raise IndexError('list index out of range') item = self.legendList[idx] if role == qt.Qt.DisplayRole: # Data to be rendered in the form of text legend = QString(item[0]) #return QVariant(legend) return legend elif role == qt.Qt.SizeHintRole: #size = qt.QSize(200,50) print('LegendModel -- size hint role not implemented') return qt.QSize() elif role == qt.Qt.TextAlignmentRole: alignment = qt.Qt.AlignVCenter | qt.Qt.AlignLeft return alignment elif role == qt.Qt.BackgroundRole: # Background color, must be QBrush if idx%2: brush = qt.QBrush(qt.QColor(240,240,240)) else: brush = qt.QBrush(qt.Qt.white) return brush elif role == qt.Qt.ForegroundRole: # ForegroundRole color, must be QBrush brush = qt.QBrush(qt.Qt.blue) return brush elif role == qt.Qt.CheckStateRole: return item[2] == True elif role == qt.Qt.ToolTipRole or role == qt.Qt.StatusTipRole: return '' elif role == self.iconColorRole: return item[1]['color'] elif role == self.iconLineWidthRole: return item[1]['linewidth'] elif role == self.iconSymbolRole: return item[1]['symbol'] elif role == self.showLineRole: return item[3] elif role == self.showSymbolRole: return item[4] elif role == self.legendTypeRole: return 0 # item[4] ..curveType.. #elif role == qt.Qt.EditRole: # return qt.QString('What now?') else: print('Unkown role requested: %s',str(role)) return None def setData(self, modelIndex, value, role): if modelIndex.isValid: idx = modelIndex.row() else: return None if idx >= len(self.legendList): #raise IndexError('list index out of range') print('setData -- List index out of range, idx: %d'%idx) return None item = self.legendList[idx] try: if role == qt.Qt.DisplayRole: # Set legend item[0] = str(value) elif role == self.iconColorRole: item[1]['color'] = qt.QColor(value) elif role == self.iconLineWidthRole: item[1]['linewidth'] = int(value) elif role == self.iconSymbolRole: item[1]['symbol'] = str(value) elif role == qt.Qt.CheckStateRole: item[2] = value elif role == self.showLineRole: item[3] = value elif role == self.showSymbolRole: item[4] = value except ValueError: if DEBUG == 1: print('Conversion failed:' +'\n\tvalue:',value +'\n\trole:',role) # Can that be right? Read docs again.. self.dataChanged.emit(modelIndex, modelIndex) return True def insertLegendList(self, row, llist): ''' :param row: Determines after which row the items are inserted :type row: int :param llist: Carries the new legend information :type count: list ''' modelIndex = self.createIndex(row,0) count = len(llist) super(LegendModel, self).beginInsertRows(modelIndex, row, row+count) head = self.legendList[0:row] tail = self.legendList[row:] new = [] for (legend, icon) in llist: showLine = True showSymbol = True curveType = 0 active = icon.get('active', False) selected = icon.get('selected', True) item = [legend, icon, selected, showLine, showSymbol, curveType] new.append(item) self.legendList = head + new + tail super(LegendModel, self).endInsertRows() return True def insertRows(self, row, count, modelIndex = qt.QModelIndex()): raise NotImplementedError('Use LegendModel.insertLegendList instead') def removeRow(self, row): return self.removeRows(row, 1) def removeRows(self, row, count, modelIndex = qt.QModelIndex()): length = len(self.legendList) if length == 0: # Nothing to do.. return True if row < 0 or row >= length: raise IndexError('Index out of range -- ' +'idx: %d, len: %d'%(row, length)) if count == 0: return False super(LegendModel, self).beginRemoveRows(modelIndex, row, row+count) del(self.legendList[row:row+count]) super(LegendModel, self).endRemoveRows() return True def setEditor(self, event, editor): ''' :param event: String that identifies the editor :type event: str :param editor: Widget used to change data in the underlying model :type editor: QWidget ''' if event not in self.eventList: raise ValueError('setEditor -- Event must be in' +'%s'%(str(self.eventList))) self.editorDict[event] = editor class LegendListItemWidget(qt.QItemDelegate): # Notice: LegendListItem does NOT inherit # from QObject, it cannot emit signals! curveType = 0 imageType = 1 def __init__(self, parent=None, itemType=0): super(LegendListItemWidget, self).__init__(parent) # Dictionary to render checkboxes self.cbDict = {} self.labelDict = {} self.iconDict = {} # Keep checkbox and legend to get sizeHint self.checkbox = qt.QCheckBox() self.legend = qt.QLabel() self.icon = LegendIcon() # Context Menu and Editors self.contextMenu = None def paint(self, painter, option, modelIndex): ''' :param painter: :type painter: QPainter :param option: :type option: QStyleOptionViewItem :param modelIndex: :type modelIndex: QModelIndex Here be docs.. ''' # Rect geometry width = option.rect.width() height = option.rect.height() left = option.rect.left() top = option.rect.top() rect = qt.QRect(qt.QPoint(left, top), qt.QSize(width, height)) rect = option.rect # Calculate the icon rectangle iconSize = self.icon.sizeHint() # Calculate icon position x = rect.left() + 2 y = rect.top() + int(.5*(rect.height()-iconSize.height())) iconRect = qt.QRect(qt.QPoint(x,y), iconSize) # Calculate label rectangle legendSize = qt.QSize( rect.width() - iconSize.width() - 30, rect.height()) # Calculate label position x = rect.left() + iconRect.width() y = rect.top() labelRect = qt.QRect(qt.QPoint(x, y), legendSize) labelRect.translate(qt.QPoint(10, 0)) # Calculate the checkbox rectangle x = rect.right() - 30 y = rect.top() chBoxRect = qt.QRect(qt.QPoint(x, y), rect.bottomRight()) # Remember the rectangles idx = modelIndex.row() self.cbDict[idx] = chBoxRect self.iconDict[idx] = iconRect self.labelDict[idx] = labelRect # Draw background first! if option.state & qt.QStyle.State_MouseOver: backgroundBrush = option.palette.highlight() else: backgroundBrush = convertToPyObject(modelIndex.data(qt.Qt.BackgroundRole)) painter.fillRect(rect, backgroundBrush) # Draw label legendText = convertToPyObject(modelIndex.data(qt.Qt.DisplayRole)) textBrush = convertToPyObject(modelIndex.data(qt.Qt.ForegroundRole)) textAlign = convertToPyObject(modelIndex.data(qt.Qt.TextAlignmentRole)) painter.setBrush(textBrush) painter.setFont(self.legend.font()) painter.drawText(labelRect, textAlign, legendText) # Draw icon iconColor = convertToPyObject(modelIndex.data(LegendModel.iconColorRole)) iconLineWidth = convertToPyObject(modelIndex.data(LegendModel.iconLineWidthRole)) iconSymbol = convertToPyObject(modelIndex.data(LegendModel.iconSymbolRole)) icon = LegendIcon() icon.resize(iconRect.size()) icon.move(iconRect.topRight()) icon.showSymbol = convertToPyObject(modelIndex.data(LegendModel.showSymbolRole)) icon.showLine = convertToPyObject(modelIndex.data(LegendModel.showLineRole)) icon.setSymbolColor(iconColor) icon.setLineColor(iconColor) icon.setLineWidth(iconLineWidth) icon.setSymbol(iconSymbol) icon.symbolOutlineBrush = backgroundBrush icon.paint(painter, iconRect, option.palette) # Draw the checkbox if convertToPyObject(modelIndex.data(qt.Qt.CheckStateRole)): checkState = qt.Qt.Checked else: checkState = qt.Qt.Unchecked if sys.platform.upper().startswith("DARWIN"): MAC_QT_4_8_4_ISSUE = True else: MAC_QT_4_8_4_ISSUE = False if MAC_QT_4_8_4_ISSUE: painter.save() self.drawCheck(painter, qt.QStyleOptionViewItem(), chBoxRect, checkState) if MAC_QT_4_8_4_ISSUE: painter.restore() def editorEvent(self, event, model, option, modelIndex): # From the docs: # Mouse events are sent to editorEvent() # even if they don't start editing of the item. if event.button() == qt.Qt.RightButton and self.contextMenu: self.contextMenu.exec_(event.globalPos(), modelIndex) return True elif event.button() == qt.Qt.LeftButton: # Check if checkbox was clicked idx = modelIndex.row() cbRect = self.cbDict[idx] if cbRect.contains(event.pos()): # Toggle checkbox model.setData(modelIndex, not modelIndex.data(qt.Qt.CheckStateRole), qt.Qt.CheckStateRole) event.ignore() return True else: return qt.QAbstractItemDelegate.editorEvent(self, event, model, option, modelIndex) def createEditor(self, parent, option, idx): print('### Editor request ###') def sizeHint(self, option, idx): #return qt.QSize(68,24) iconSize = self.icon.sizeHint() legendSize = self.legend.sizeHint() checkboxSize = self.checkbox.sizeHint() height = max([iconSize.height(), legendSize.height(), checkboxSize.height()]) + 4 width = iconSize.width() + legendSize.width() + checkboxSize.width() return qt.QSize(width, height) class LegendListView(qt.QListView): sigLegendSignal = qt.pyqtSignal(object) __mouseClickedEvent = 'mouseClicked' __checkBoxClickedEvent = 'checkBoxClicked' __legendClickedEvent = 'legendClicked' def __init__(self, parent=None, model=None, contextMenu=None): super(LegendListView, self).__init__(parent) self.__lastButton = None self.__lastClickPos = None self.__lastModelIdx = None # Set default delegate self.setItemDelegate(LegendListItemWidget()) # Set default editors #self.setSizePolicy(qt.QSizePolicy.MinimumExpanding, # qt.QSizePolicy.MinimumExpanding) # Set edit triggers by hand using self.edit(QModelIndex) # in mousePressEvent (better to control than signals) self.setEditTriggers(qt.QAbstractItemView.NoEditTriggers) # Control layout #self.setBatchSize(2) #self.setLayoutMode(qt.QListView.Batched) #self.setFlow(qt.QListView.LeftToRight) # Control selection #self.setSelectionMode(qt.QAbstractItemView.ExtendedSelection) self.setSelectionMode(qt.QAbstractItemView.NoSelection) if model is None: model = LegendModel() self.setModel(model) #self.setSelectionModel(qt.QItemSelectionModel(model)) self.setContextMenu(contextMenu) def setLegendList(self, legendList, row=None): self.clear() if row is None: row = 0 model = self.model() model.insertLegendList(row, legendList) if DEBUG == 1: print('LegendListView.setLegendList(legendList) finished') def clear(self): model = self.model() model.removeRows(0,model.rowCount()) if DEBUG == 1: print('LegendListView.clear() finished') ''' def sizeHint(self): print('ListView.sizeHint called') return qt.QSize(300,500) def minimumWidth(self): print('ListView.minimumSize called') return 500 def minimumSize(self): print('ListView.minimumSize called') return qt.QSize(300,500) def minimumSizeHint(self): print('ListView.minimumSizeHint called') return qt.QSize(300,500) ''' def setContextMenu(self, contextMenu=None):#, actionList): delegate = self.itemDelegate() if isinstance(delegate, LegendListItemWidget) and self.model(): if contextMenu is None: delegate.contextMenu = LegendListContextMenu(self.model()) delegate.contextMenu.sigContextMenu.connect(\ self._contextMenuSlot) else: delegate.contextMenu = contextMenu def __getitem__(self, idx): model = self.model() try: item = model[idx] except ValueError: item = None return item def _contextMenuSlot(self, ddict): self.sigLegendSignal.emit(ddict) def mousePressEvent(self, event): self.__lastButton = event.button() self.__lastPosition = event.pos() super(LegendListView, self).mousePressEvent(event) # call _handleMouseClick after editing was handled # If right click (context menu) is aborted, no # signal is emitted.. self._handleMouseClick(self.indexAt(self.__lastPosition)) def mouseDoubleClickEvent(self, event): self.__lastButton = event.button() self.__lastPosition = event.pos() qt.QListView.mouseDoubleClickEvent(self, event) # call _handleMouseClick after editing was handled # If right click (context menu) is aborted, no # signal is emitted.. self._handleMouseClick(self.indexAt(self.__lastPosition)) def mouseMoveEvent(self, event): # LegendListView.mouseMoveEvent is overwritten # to suppress unwanted behavior in the delegate. pass def mouseReleaseEvent(self, event): if DEBUG == 1: print('LegendListView.mouseReleaseEvent -- ' +'is overwritten to subpress unwanted ' +'behavior in the delegate.') def _handleMouseClick(self, modelIndex): ''' :param modelIndex: index of the clicked item :type modelIndex: QModelIndex Distinguish between mouse click on Legend and mouse click on CheckBox by setting the currentCheckState attribute in LegendListItem. Emits signal sigLegendSignal(ddict) ''' if DEBUG == 1: print('self._handleMouseClick called') if self.__lastButton not in [qt.Qt.LeftButton, qt.Qt.RightButton]: return if not modelIndex.isValid(): if DEBUG: print('_handleMouseClick -- Invalid QModelIndex') return model = self.model() idx = modelIndex.row() delegate = self.itemDelegate() cbClicked = False if isinstance(delegate, LegendListItemWidget): for cbRect in delegate.cbDict.values(): if cbRect.contains(self.__lastPosition): cbClicked = True break # TODO: Check for doubleclicks on legend/icon and spawn editors # item is tupel: (legend, icon, checkState, curveType) item = model[idx] ddict = { 'legend' : qt.safe_str(convertToPyObject(modelIndex.data(qt.Qt.DisplayRole))), 'icon' : { 'linewidth' : qt.safe_str(convertToPyObject(modelIndex.data(LegendModel.iconLineWidthRole))), 'symbol' : qt.safe_str(convertToPyObject(modelIndex.data(LegendModel.iconSymbolRole))), 'color' : convertToPyObject(modelIndex.data(LegendModel.legendTypeRole)) }, 'selected' : convertToPyObject(modelIndex.data(qt.Qt.CheckStateRole)), 'type' : qt.safe_str(convertToPyObject(modelIndex.data())) } if self.__lastButton == qt.Qt.RightButton: if DEBUG == 1: print('Right clicked') ddict['button'] = "right" ddict['event'] = self.__mouseClickedEvent elif cbClicked: if DEBUG == 1: print('CheckBox clicked') ddict['button'] = "left" ddict['event'] = self.__checkBoxClickedEvent else: if DEBUG == 1: print('Legend clicked') ddict['button'] = "left" ddict['event'] = self.__legendClickedEvent if DEBUG == 1: print(' idx: %d\n ddict: %s'%(idx, str(ddict))) self.sigLegendSignal.emit(ddict) class LegendListContextMenu(qt.QMenu): sigContextMenu = qt.pyqtSignal(object) def __init__(self, model): super(LegendListContextMenu, self).__init__(parent=None) self.model = model actionList = [('Set Active', self.setActiveAction), ('Map to left', self.mapToLeftAction), ('Map to right', self.mapToRightAction), ('Toggle points', self.togglePointsAction), ('Toggle lines', self.toggleLinesAction), ('Remove curve', self.removeItemAction), ('Rename curve', self.renameItemAction)] for name, action in actionList: self.addAction(name, action) def exec_(self, pos, idx): self.__currentIdx = idx super(LegendListContextMenu, self).popup(pos) def currentIdx(self): return self.__currentIdx def mapToLeftAction(self): if DEBUG: print('LegendListContextMenu.mapToLeftAction called') modelIndex = self.currentIdx() legend = qt.safe_str(convertToPyObject(modelIndex.data(qt.Qt.DisplayRole))) ddict = { 'legend' : legend, 'label' : legend, 'selected' : convertToPyObject(modelIndex.data(qt.Qt.CheckStateRole)), 'type' : qt.safe_str(convertToPyObject(modelIndex.data())), 'event': "mapToLeft" } self.sigContextMenu.emit(ddict) def mapToRightAction(self): if DEBUG: print('LegendListContextMenu.mapToRightAction called') modelIndex = self.currentIdx() legend = qt.safe_str(convertToPyObject(modelIndex.data(qt.Qt.DisplayRole))) ddict = { 'legend' : legend, 'label' : legend, 'selected' : convertToPyObject(modelIndex.data(qt.Qt.CheckStateRole)), 'type' : qt.safe_str(convertToPyObject(modelIndex.data())), 'event': "mapToRight" } self.sigContextMenu.emit(ddict) def removeItemAction(self): if DEBUG == 1: print('LegendListContextMenu.removeCurveAction called') modelIndex = self.currentIdx() legend = qt.safe_str(convertToPyObject(modelIndex.data(qt.Qt.DisplayRole))) ddict = { 'legend' : legend, 'label' : legend, 'selected' : convertToPyObject(modelIndex.data(qt.Qt.CheckStateRole)), 'type' : qt.safe_str(convertToPyObject(modelIndex.data())), 'event': "removeCurve" } self.sigContextMenu.emit(ddict) self.model.removeRow(modelIndex.row()) def renameItemAction(self): if DEBUG == 1: print('LegendListContextMenu.renameCurveAction called') modelIndex = self.currentIdx() legend = qt.safe_str(convertToPyObject(modelIndex.data(qt.Qt.DisplayRole))) ddict = { 'legend' : legend, 'label' : legend, 'selected' : convertToPyObject(modelIndex.data(qt.Qt.CheckStateRole)), 'type' : qt.safe_str(convertToPyObject(modelIndex.data())), 'event': "renameCurve" } self.sigContextMenu.emit(ddict) def toggleLinesAction(self): modelIndex = self.currentIdx() legend = qt.safe_str(convertToPyObject(modelIndex.data(qt.Qt.DisplayRole))) ddict = { 'legend' : legend, 'label' : legend, 'selected' : convertToPyObject(modelIndex.data(qt.Qt.CheckStateRole)), 'type' : qt.safe_str(convertToPyObject(modelIndex.data())), } flag = convertToPyObject(modelIndex.data(LegendModel.showLineRole)) if flag: if DEBUG == 1: print('toggleLinesAction -- lines turned off') ddict['event'] = "toggleLine" ddict['line'] = False self.sigContextMenu.emit(ddict) self.model.setData(modelIndex, False, LegendModel.showLineRole) else: if DEBUG == 1: print('toggleLinesAction -- lines turned on') ddict['event'] = "toggleLine" ddict['line'] = True self.sigContextMenu.emit(ddict) self.model.setData(modelIndex, True, LegendModel.showLineRole) def togglePointsAction(self): modelIndex = self.currentIdx() legend = qt.safe_str(convertToPyObject(modelIndex.data(qt.Qt.DisplayRole))) ddict = { 'legend' : legend, 'label' : legend, 'selected' : convertToPyObject(modelIndex.data(qt.Qt.CheckStateRole)), 'type' : qt.safe_str(convertToPyObject(modelIndex.data())), } flag = convertToPyObject(modelIndex.data(LegendModel.showSymbolRole)) symbol = convertToPyObject(modelIndex.data(LegendModel.iconSymbolRole)) if flag and (symbol is not None): if DEBUG == 1: print('togglePointsAction -- Symbols turned off') ddict['event'] = "togglePoints" ddict['points'] = False self.sigContextMenu.emit(ddict) self.model.setData(modelIndex, False, LegendModel.showSymbolRole) else: if DEBUG == 1: print('togglePointsAction -- Symbols turned on') ddict['event'] = "togglePoints" ddict['points'] = True self.sigContextMenu.emit(ddict) self.model.setData(modelIndex, True, LegendModel.showSymbolRole) def setActiveAction(self): modelIndex = self.currentIdx() legend = qt.safe_str(convertToPyObject(modelIndex.data(qt.Qt.DisplayRole))) if DEBUG: print('setActiveAction -- active curve:',legend) ddict = { 'legend' : legend, 'label' : legend, 'selected' : convertToPyObject(modelIndex.data(qt.Qt.CheckStateRole)), 'type' : qt.safe_str(convertToPyObject(modelIndex.data())), 'event': "setActiveCurve", } self.sigContextMenu.emit(ddict) class Notifier(qt.QObject): def __init__(self): qt.QObject.__init__(self) self.chk = True def signalReceived(self, **kw): obj = self.sender() print('NOTIFIER -- signal received\n\tsender:', str(obj)) if __name__ == '__main__': notifier = Notifier() legends = ['Legend0', 'Legend1', 'Long Legend 2', 'Foo Legend 3', 'Even Longer Legend 4', 'Short Leg 5', 'Dot symbol 6', 'Comma symbol 7'] colors = [qt.Qt.darkRed, qt.Qt.green, qt.Qt.yellow, qt.Qt.darkCyan, qt.Qt.blue, qt.Qt.darkBlue, qt.Qt.red, qt.Qt.darkYellow] #symbols = ['circle', 'triangle', 'utriangle', 'diamond', 'square', 'cross'] symbols = ['o', 't', '+', 'x', 's', 'd', '.', ','] app = qt.QApplication([]) win = LegendListView() #win = LegendListContextMenu() #win = qt.QWidget() #layout = qt.QVBoxLayout() #layout.setContentsMargins(0,0,0,0) llist = [] for idx, (l, c, s) in enumerate(zip(legends, colors, symbols)): ddict = { 'color': qt.QColor(c), 'linewidth': 4, 'symbol': s, } legend = l llist.append((legend, ddict)) #item = qt.QListWidgetItem(win) #legendWidget = LegendListItemWidget(l) #legendWidget.icon.setSymbol(s) #legendWidget.icon.setColor(qt.QColor(c)) #layout.addWidget(legendWidget) #win.setItemWidget(item, legendWidget) #win = LegendListItemWidget('Some Legend 1') #print(llist) model = LegendModel(legendList=llist) win.setModel(model) win.setSelectionModel(qt.QItemSelectionModel(model)) win.setContextMenu() #print('Edit triggers: %d'%win.editTriggers()) #win = LegendListWidget(None, legends) #win[0].updateItem(ddict) #win.setLayout(layout) win.sigLegendSignal.connect(notifier.signalReceived) win.show() win.clear() win.setLegendList(llist) app.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/plotting/ObjectPrintConfigurationDialog.py0000644000276300001750000002047113136054446026016 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" from PyMca5.PyMcaGui import PyMcaQt as qt class ObjectPrintConfigurationWidget(qt.QWidget): def __init__(self, parent=None): super(ObjectPrintConfigurationWidget, self).__init__(parent) self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) hbox = qt.QWidget() hboxLayout = qt.QHBoxLayout(hbox) hboxLayout.setContentsMargins(0, 0, 0, 0) hboxLayout.setSpacing(2) label = qt.QLabel(self) label.setText("Units") label.setAlignment(qt.Qt.AlignCenter) self._pageButton = qt.QRadioButton() self._pageButton.setText("Page") self._inchButton = qt.QRadioButton() self._inchButton.setText("Inches") self._cmButton = qt.QRadioButton() self._cmButton.setText("Centimeters") self._buttonGroup = qt.QButtonGroup(self) self._buttonGroup.addButton(self._pageButton) self._buttonGroup.addButton(self._inchButton) self._buttonGroup.addButton(self._cmButton) self._buttonGroup.setExclusive(True) # units self.mainLayout.addWidget(label, 0, 0, 1, 4) #self.mainLayout.addWidget(self._pageButton, 0, 1) #self.mainLayout.addWidget(self._inchButton, 0, 2) #self.mainLayout.addWidget(self._cmButton, 0, 3) hboxLayout.addWidget(self._pageButton) hboxLayout.addWidget(self._inchButton) hboxLayout.addWidget(self._cmButton) self.mainLayout.addWidget(hbox, 1, 0, 1, 4) self._pageButton.setChecked(True) # xOffset label = qt.QLabel(self) label.setText("X Offset:") self.mainLayout.addWidget(label, 2, 0) self._xOffset = qt.QLineEdit(self) validator = qt.QDoubleValidator(None) self._xOffset.setValidator(validator) self._xOffset.setText("0.0") self.mainLayout.addWidget(self._xOffset, 2, 1) # yOffset label = qt.QLabel(self) label.setText("Y Offset:") self.mainLayout.addWidget(label, 2, 2) self._yOffset = qt.QLineEdit(self) validator = qt.QDoubleValidator(None) self._yOffset.setValidator(validator) self._yOffset.setText("0.0") self.mainLayout.addWidget(self._yOffset, 2, 3) # width label = qt.QLabel(self) label.setText("Width:") self.mainLayout.addWidget(label, 3, 0) self._width = qt.QLineEdit(self) validator = qt.QDoubleValidator(None) self._width.setValidator(validator) self._width.setText("0.5") self.mainLayout.addWidget(self._width, 3, 1) # height label = qt.QLabel(self) label.setText("Height:") self.mainLayout.addWidget(label, 3, 2) self._height = qt.QLineEdit(self) validator = qt.QDoubleValidator(None) self._height.setValidator(validator) self._height.setText("0.5") self.mainLayout.addWidget(self._height, 3, 3) # aspect ratio self._aspect = qt.QCheckBox(self) self._aspect.setText("Keep screen aspect ratio") self._aspect.setChecked(True) self.mainLayout.addWidget(self._aspect, 4, 1, 1, 2) def getParameters(self): ddict = {} if self._inchButton.isChecked(): ddict['units'] = "inches" elif self._cmButton.isChecked(): ddict['units'] = "centimeters" else: ddict['units'] = "page" ddict['xOffset'] = float(qt.safe_str(self._xOffset.text())) ddict['yOffset'] = float(qt.safe_str(self._yOffset.text())) ddict['width'] = float(qt.safe_str(self._width.text())) ddict['height'] = float(qt.safe_str(self._height.text())) if self._aspect.isChecked(): ddict['keepAspectRatio'] = True else: ddict['keepAspectRatio'] = False return ddict def setParameters(self, ddict=None): if ddict is None: ddict = {} oldDict = self.getParameters() for key in ["units", "xOffset", "yOffset", "width", "height", "keepAspectRatio"]: ddict[key] = ddict.get(key, oldDict[key]) if ddict['units'].lower().startswith("inc"): self._inchButton.setChecked(True) elif ddict['units'].lower().startswith("c"): self._cmButton.setChecked(True) else: self._pageButton.setChecked(True) self._xOffset.setText("%s" % float(ddict['xOffset'])) self._yOffset.setText("%s" % float(ddict['yOffset'])) self._width.setText("%s" % float(ddict['width'])) self._height.setText("%s" % float(ddict['height'])) if ddict['keepAspectRatio']: self._aspect.setChecked(True) else: self._aspect.setChecked(False) class ObjectPrintConfigurationDialog(qt.QDialog): def __init__(self, parent=None, configuration=None): qt.QDialog.__init__(self, parent) self.setWindowTitle("Set print size preferences") if configuration is None: configuration = {"xOffset": 0.0, "yOffset": 0.0, "width": 0.5, "height": 0.5, "units": "page", "keepAspectRatio": True} layout = qt.QVBoxLayout(self) layout.setContentsMargins(0, 0, 0, 0) layout.setSpacing(0) self.configurationWidget = ObjectPrintConfigurationWidget(self) hbox = qt.QWidget(self) hboxLayout = qt.QHBoxLayout(hbox) self.okButton = qt.QPushButton(hbox) self.okButton.setText("Accept") self.okButton.setAutoDefault(False) self.rejectButton = qt.QPushButton(hbox) self.rejectButton.setText("Dismiss") self.rejectButton.setAutoDefault(False) self.okButton.clicked.connect(self.accept) self.rejectButton.clicked.connect(self.reject) hboxLayout.setContentsMargins(0, 0, 0, 0) hboxLayout.setSpacing(2) hboxLayout.addWidget(qt.HorizontalSpacer(hbox)) hboxLayout.addWidget(self.okButton) hboxLayout.addWidget(self.rejectButton) hboxLayout.addWidget(qt.HorizontalSpacer(hbox)) layout.addWidget(self.configurationWidget) layout.addWidget(hbox) self.setPrintConfiguration(configuration) def setPrintConfiguration(self, configuration, printer=None): # TODO: Receive printer in order to be able to convert units # from page to inch and/or centimeters self.configurationWidget.setParameters(configuration) def getPrintConfiguration(self): return self.configurationWidget.getParameters() if __name__ == "__main__": app = qt.QApplication([]) w = ObjectPrintConfigurationDialog() if w.exec_(): print(w.getPrintConfiguration()) PyMca5-5.2.2/PyMca5/PyMcaGui/plotting/PlotWidget.py0000644000276300001750000003312413136054446022004 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2017 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os from PyMca5.PyMcaGraph import Plot SVG = True if "PySide" in sys.modules: from PySide import QtCore, QtGui try: from PySide import QtSvg except ImportError: SVG = False elif ("PyQt5" in sys.modules) or ("PyQt5" in sys.argv): from PyQt5 import QtCore, QtGui, QtWidgets QtGui.QApplication = QtWidgets.QApplication QtGui.QMainWindow = QtWidgets.QMainWindow QtGui.QWidget = QtWidgets.QWidget QtGui.QVBoxLayout = QtWidgets.QVBoxLayout QtGui.qApp = QtWidgets.qApp try: from PyQt5.QtPrintSupport import QPrinter, QPrintDialog QtGui.QPrinter = QPrinter QtGui.QPrintDialog = QPrintDialog except ImportError: print("PyQt5 No print support available") try: from PyQt5 import QtSvg except ImportError: SVG = False else: from PyQt4 import QtCore, QtGui try: from PyQt4 import QtSvg except ImportError: SVG = False if not hasattr(QtCore, "Signal"): QtCore.Signal = QtCore.pyqtSignal DEBUG = 0 if DEBUG: Plot.DEBUG = DEBUG class PlotWidget(QtGui.QMainWindow, Plot.Plot): sigPlotSignal = QtCore.Signal(object) def __init__(self, parent=None, backend=None, legends=False, callback=None, **kw): self._panWithArrowKeys = False QtGui.QMainWindow.__init__(self, parent) Plot.Plot.__init__(self, parent, backend=backend) if parent is not None: # behave as a widget self.setWindowFlags(QtCore.Qt.Widget) self.containerWidget = QtGui.QWidget() self.containerWidget.mainLayout = QtGui.QVBoxLayout(self.containerWidget) self.containerWidget.mainLayout.setContentsMargins(0, 0, 0, 0) self.containerWidget.mainLayout.setSpacing(0) widget = self.getWidgetHandle() if widget is not None: self.containerWidget.mainLayout.addWidget(widget) self.setCentralWidget(self.containerWidget) else: print("WARNING: No backend. Using default.") # defaultPrinter self._printer = None if legends: print("Legends widget to be implemented") self.setGraphTitle(" ") self.setGraphXLabel("X") self.setGraphYLabel("Y") self.setCallback(callback) def showLegends(self, flag=True): print("Legends widget to be implemented") def graphCallback(self, ddict=None): if ddict is not None: Plot.Plot.graphCallback(self, ddict) self.sigPlotSignal.emit(ddict) def resizeEvent(self, event): super(PlotWidget, self).resizeEvent(event) #Should I reset the zoom or replot? #self.resetZoom() def replot(self): Plot.Plot.replot(self) # force update of the widget!!! # should this be made at the backend level? w = self.centralWidget() QtGui.qApp.postEvent(w, QtGui.QResizeEvent(w.size(), w.size())) def saveGraph(self, fileName, fileFormat=None, dpi=None, **kw): supportedFormats = ["png", "svg", "pdf", "ps", "eps", "tif", "tiff","jpeg", "jpg"] if fileFormat is None: fileFormat = (fileName.split(".")[-1]).lower() if fileFormat not in supportedFormats: print("Probably unsupported format %s" % fileFormat) fileFormat = "svg" return super(PlotWidget, self).saveGraph(fileName, fileFormat, dpi=dpi, **kw) def getSvgRenderer(self, printer=None): if not SVG: raise RuntimeError("QtSvg module missing. Please compile Qt with SVG support") return if sys.version < '3.0': import cStringIO as StringIO imgData = StringIO.StringIO() else: from io import BytesIO imgData = BytesIO() self.saveGraph(imgData, fileFormat='svg') imgData.flush() imgData.seek(0) svgRawData = imgData.read() svgRendererData = QtCore.QXmlStreamReader(svgRawData) svgRenderer = QtSvg.QSvgRenderer(svgRendererData) svgRenderer._svgRawData = svgRawData svgRenderer._svgRendererData = svgRendererData return svgRenderer def printGraph(self, width=None, height=None, xOffset=0.0, yOffset=0.0, units="inches", dpi=None, printer=None, dialog=True, keepAspectRatio=True, **kw): if printer is None: if self._printer is None: printer = QtGui.QPrinter() else: printer = self._printer if (printer is None) or dialog: # allow printer selection/configuration printDialog = QtGui.QPrintDialog(printer, self) actualPrint = printDialog.exec_() else: actualPrint = True if actualPrint: self._printer = printer try: painter = QtGui.QPainter() if not(painter.begin(printer)): return 0 dpix = printer.logicalDpiX() dpiy = printer.logicalDpiY() #margin = int((2/2.54) * dpiy) #2cm margin availableWidth = printer.width() #- 1 * margin availableHeight = printer.height() #- 2 * margin # get the available space # convert the offsets to dpi if units.lower() in ['inch', 'inches']: xOffset = xOffset * dpix yOffset = yOffset * dpiy if width is not None: width = width * dpix if height is not None: height = height * dpiy elif units.lower() in ['cm', 'centimeters']: xOffset = (xOffset/2.54) * dpix yOffset = (yOffset/2.54) * dpiy if width is not None: width = (width/2.54) * dpix if height is not None: height = (height/2.54) * dpiy else: # page units xOffset = availableWidth * xOffset yOffset = availableHeight * yOffset if width is not None: width = availableWidth * width if height is not None: height = availableHeight * height availableWidth -= xOffset availableHeight -= yOffset if width is not None: if (availableWidth + 0.1) < width: txt = "Available width %f is less than requested width %f" % \ (availableWidth, width) raise ValueError(txt) availableWidth = width if height is not None: if (availableHeight + 0.1) < height: txt = "Available height %f is less than requested height %f" % \ (availableHeight, height) raise ValueError(txt) availableHeight = height if keepAspectRatio: #get the aspect ratio widget = self.getWidgetHandle() if widget is None: # does this make sense? graphWidth = availableWidth graphHeight = availableHeight else: graphWidth = float(widget.width()) graphHeight = float(widget.height()) graphRatio = graphHeight / graphWidth # that ratio has to be respected bodyWidth = availableWidth bodyHeight = availableWidth * graphRatio if bodyHeight > availableHeight: bodyHeight = availableHeight bodyWidth = bodyHeight / graphRatio else: bodyWidth = availableWidth bodyHeight = availableHeight body = QtCore.QRectF(xOffset, yOffset, bodyWidth, bodyHeight) svgRenderer = self.getSvgRenderer() svgRenderer.render(painter, body) finally: painter.end() # Panning with arrow keys def isPanWithArrowKeys(self): """Returns whether or not panning the graph with arrow keys is enable. See :meth:`setPanWithArrowKeys`. """ return self._panWithArrowKeys def setPanWithArrowKeys(self, pan=False): """Enable/Disable panning the graph with arrow keys. This grabs the keyboard. :param bool pan: True to enable panning, False to disable. """ self._panWithArrowKeys = bool(pan) if not self._panWithArrowKeys: self.setFocusPolicy(QtCore.Qt.NoFocus) else: self.setFocusPolicy(QtCore.Qt.StrongFocus) self.setFocus(QtCore.Qt.OtherFocusReason) # Dict to convert Qt arrow key code to direction str. _ARROWS_TO_PAN_DIRECTION = { QtCore.Qt.Key_Left: 'left', QtCore.Qt.Key_Right: 'right', QtCore.Qt.Key_Up: 'up', QtCore.Qt.Key_Down: 'down' } def keyPressEvent(self, event): """Key event handler handling panning on arrow keys. Overrides base class implementation. """ key = event.key() if self._panWithArrowKeys and key in self._ARROWS_TO_PAN_DIRECTION: self.pan(self._ARROWS_TO_PAN_DIRECTION[key], factor=0.1) else: # Only call base class implementation when key is not handled. # See QWidget.keyPressEvent for details. super(PlotWidget, self).keyPressEvent(event) if __name__ == "__main__": import time backend = None if ("matplotlib" in sys.argv) or ("mpl" in sys.argv): backend = "matplotlib" print("USING matplotlib") time.sleep(1) elif ("pyqtgraph" in sys.argv): backend = "pyqtgraph" print("USING PyQtGraph") time.sleep(1) elif ("OpenGL" in sys.argv) or ("opengl" in sys.argv) or ("gl" in sys.argv): backend = "opengl" print("USING OpenGL") time.sleep(1) elif ("GLUT" in sys.argv) or ("glut" in sys.argv): backend = "glut" print("USING GLUT") time.sleep(1) else: print ("USING default backend") time.sleep(1) import numpy x = numpy.arange(100.) y = x * x app = QtGui.QApplication([]) plot = PlotWidget(None, backend=backend, legends=True) plot.setPanWithArrowKeys(True) plot.show() if 1: plot.addCurve(x, y, "dummy") plot.addCurve(x+100, x*x) plot.addCurve(x, -y, "dummy 2") print("Active curve = ", plot.getActiveCurve()) print("X Limits = ", plot.getGraphXLimits()) print("Y Limits = ", plot.getGraphYLimits()) print("All curves = ", plot.getAllCurves()) #print("REMOVING dummy") #plot.removeCurve("dummy") plot.insertXMarker(50., legend="X", text="X", draggable=True) #plot.insertYMarker(50., draggable=True) plot.setYAxisLogarithmic(True) else: # insert a few curves cSin={} cCos={} nplots=50 for i in range(nplots): # calculate 3 NumPy arrays x = numpy.arange(0.0, 10.0, 0.1) y = 10*numpy.sin(x+(i/10.0) * 3.14) z = numpy.cos(x+(i/10.0) * 3.14) #build a key a="%d" % i #plot the data cSin[a] = plot.addCurve(x, y, 'y = sin(x)' + a, replot=False) cCos[a] = plot.addCurve(x, z, 'y = cos(x)' + a, replot=False) cCos[a] = plot.addCurve(x, z, 'y = cos(x)' + a, replot=True) plot.insertXMarker(5., legend="X", text="X", draggable=True) plot.insertYMarker(5., legend="Y", text="Y", draggable=True) print("All curves = ", plot.getAllCurves(just_legend=True)) app.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/plotting/PyMcaPrintPreview.py0000644000276300001750000000635113136054446023314 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys from PyMca5.PyMcaGui import PyMcaQt as qt DEBUG = 0 from .Q4PyMcaPrintPreview import PyMcaPrintPreview as PrintPreview #SINGLETON if 0: #It seems sip gets confused by this singleton implementation class PyMcaPrintPreview(PrintPreview): _instance = None def __new__(self, *var, **kw): if self._instance is None: self._instance = PrintPreview.__new__(self,*var, **kw) return self._instance else: #but sip is happy about this one class PyMcaPrintPreview(PrintPreview): _instance = None def __new__(self, *var, **kw): if self._instance is None: self._instance = PrintPreview(*var, **kw) return self._instance def testPreview(): """ """ import sys import os.path if len(sys.argv) < 2: print("give an image file as parameter please.") sys.exit(1) if len(sys.argv) > 2: print("only one parameter please.") sys.exit(1) filename = sys.argv[1] a = qt.QApplication(sys.argv) p = qt.QPrinter() p.setOutputFileName(os.path.splitext(filename)[0]+".ps") p.setColorMode(qt.QPrinter.Color) w = PyMcaPrintPreview( parent = None, printer = p, name = 'Print Prev', modal = 0, fl = 0) w.resize(400,500) w.addPixmap(qt.QPixmap.fromImage(qt.QImage(filename))) w.addImage(qt.QImage(filename)) if 0: w2 = PyMcaPrintPreview( parent = None, printer = p, name = '2Print Prev', modal = 0, fl = 0) w.exec_() w2.resize(100,100) w2.show() sys.exit(w2.exec_()) sys.exit(w.exec_()) if __name__ == '__main__': testPreview() PyMca5-5.2.2/PyMca5/PyMcaGui/plotting/McaROIWidget.py0000644000276300001750000005535713136054446022154 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2015 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os from PyMca5.PyMcaGui import PyMcaQt as qt if hasattr(qt, "QString"): QString = qt.QString else: QString = qt.safe_str QTVERSION = qt.qVersion() from PyMca5.PyMcaCore import PyMcaDirs from PyMca5.PyMcaIO import ConfigDict DEBUG = 0 class McaROIWidget(qt.QWidget): sigMcaROIWidgetSignal = qt.pyqtSignal(object) def __init__(self, parent=None, name=None): super(McaROIWidget, self).__init__(parent) if name is not None: self.setWindowTitle(name) layout = qt.QVBoxLayout(self) layout.setContentsMargins(0, 0, 0, 0) layout.setSpacing(0) ############## self.headerLabel = qt.QLabel(self) self.headerLabel.setAlignment(qt.Qt.AlignHCenter) self.setHeader('Channel ROIs of XXXXXXXXXX<\b>') layout.addWidget(self.headerLabel) ############## self.mcaROITable = McaROITable(self) rheight = self.mcaROITable.horizontalHeader().sizeHint().height() self.mcaROITable.setMinimumHeight(4*rheight) #self.mcaROITable.setMaximumHeight(4*rheight) self.fillFromROIDict = self.mcaROITable.fillFromROIDict self.addROI = self.mcaROITable.addROI self.getROIListAndDict=self.mcaROITable.getROIListAndDict layout.addWidget(self.mcaROITable) self.roiDir = None ################# hbox = qt.QWidget(self) hboxlayout = qt.QHBoxLayout(hbox) hboxlayout.setContentsMargins(0, 0, 0, 0) hboxlayout.setSpacing(0) hboxlayout.addWidget(qt.HorizontalSpacer(hbox)) self.addButton = qt.QPushButton(hbox) self.addButton.setText("Add ROI") self.delButton = qt.QPushButton(hbox) self.delButton.setText("Delete ROI") self.resetButton = qt.QPushButton(hbox) self.resetButton.setText("Reset") hboxlayout.addWidget(self.addButton) hboxlayout.addWidget(self.delButton) hboxlayout.addWidget(self.resetButton) hboxlayout.addWidget(qt.HorizontalSpacer(hbox)) self.loadButton = qt.QPushButton(hbox) self.loadButton.setText("Load") self.saveButton = qt.QPushButton(hbox) self.saveButton.setText("Save") hboxlayout.addWidget(self.loadButton) hboxlayout.addWidget(self.saveButton) layout.setStretchFactor(self.headerLabel, 0) layout.setStretchFactor(self.mcaROITable, 1) layout.setStretchFactor(hbox, 0) layout.addWidget(hbox) self.addButton.clicked.connect(self._add) self.delButton.clicked.connect(self._del) self.resetButton.clicked.connect(self._reset) self.loadButton.clicked.connect(self._load) self.saveButton.clicked.connect(self._save) self.mcaROITable.sigMcaROITableSignal.connect(self._forward) def _add(self): if DEBUG: print("McaROIWidget._add") ddict={} ddict['event'] = "AddROI" roilist, roidict = self.mcaROITable.getROIListAndDict() ddict['roilist'] = roilist ddict['roidict'] = roidict self.emitSignal(ddict) def _del(self): row = self.mcaROITable.currentRow() if row >= 0: index = self.mcaROITable.labels.index('Type') text = str(self.mcaROITable.item(row, index).text()) if text.upper() != 'DEFAULT': index = self.mcaROITable.labels.index('ROI') key = str(self.mcaROITable.item(row, index).text()) else: # This is to prevent deleting ICR ROI, that is # usually initialized as "Default" type. return roilist,roidict = self.mcaROITable.getROIListAndDict() row = roilist.index(key) del roilist[row] del roidict[key] if len(roilist) > 0: currentroi = roilist[0] else: currentroi = None self.mcaROITable.fillFromROIDict(roilist=roilist, roidict=roidict, currentroi=currentroi) ddict={} ddict['event'] = "DelROI" ddict['roilist'] = roilist ddict['roidict'] = roidict self.emitSignal(ddict) def _forward(self,ddict): self.emitSignal(ddict) def _reset(self): ddict={} ddict['event'] = "ResetROI" roilist0, roidict0 = self.mcaROITable.getROIListAndDict() index = 0 for key in roilist0: if roidict0[key]['type'].upper() == 'DEFAULT': index = roilist0.index(key) break roilist=[] roidict = {} if len(roilist0): roilist.append(roilist0[index]) roidict[roilist[0]] = {} roidict[roilist[0]].update(roidict0[roilist[0]]) self.mcaROITable.fillFromROIDict(roilist=roilist, roidict=roidict) ddict['roilist'] = roilist ddict['roidict'] = roidict self.emitSignal(ddict) def _load(self): if self.roiDir is None: self.roiDir = PyMcaDirs.inputDir elif not os.path.isdir(self.roiDir): self.roiDir = PyMcaDirs.inputDir outfile = qt.QFileDialog(self) if hasattr(outfile, "setFilters"): outfile.setFilter('PyMca *.ini') else: outfile.setNameFilters(['PyMca *.ini', 'All *']) outfile.setFileMode(outfile.ExistingFile) outfile.setDirectory(self.roiDir) ret = outfile.exec_() if not ret: outfile.close() del outfile return # pyflakes bug http://bugs.debian.org/cgi-bin/bugreport.cgi?bug=666494 outputFile = qt.safe_str(outfile.selectedFiles()[0]) outfile.close() del outfile self.roiDir = os.path.dirname(outputFile) self.load(outputFile) def load(self, filename): d = ConfigDict.ConfigDict() d.read(filename) current = "" if self.mcaROITable.rowCount(): row = self.mcaROITable.currentRow() item = self.mcaROITable.item(row, 0) if item is not None: current = str(item.text()) self.fillFromROIDict(roilist=d['ROI']['roilist'], roidict=d['ROI']['roidict']) if current in d['ROI']['roidict'].keys(): if current in d['ROI']['roilist']: row = d['ROI']['roilist'].index(current, 0) self.mcaROITable.setCurrentCell(row, 0) self.mcaROITable._cellChangedSlot(row, 2) return self.mcaROITable.setCurrentCell(0, 0) self.mcaROITable._cellChangedSlot(0, 2) def _save(self): if self.roiDir is None: self.roiDir = PyMcaDirs.outputDir elif not os.path.isdir(self.roiDir): self.roiDir = PyMcaDirs.outputDir outfile = qt.QFileDialog(self) if hasattr(outfile, "setFilters"): outfile.setFilter('PyMca *.ini') else: outfile.setNameFilters(['PyMca *.ini', 'All *']) outfile.setFileMode(outfile.AnyFile) outfile.setAcceptMode(qt.QFileDialog.AcceptSave) outfile.setDirectory(self.roiDir) ret = outfile.exec_() if not ret: outfile.close() del outfile return # pyflakes bug http://bugs.debian.org/cgi-bin/bugreport.cgi?bug=666494 outputFile = qt.safe_str(outfile.selectedFiles()[0]) extension = ".ini" outfile.close() del outfile if len(outputFile) < len(extension[:]): outputFile += extension[:] elif outputFile[-4:] != extension[:]: outputFile += extension[:] if os.path.exists(outputFile): try: os.remove(outputFile) except IOError: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Input Output Error: %s" % (sys.exc_info()[1])) msg.exec_() return self.roiDir = os.path.dirname(outputFile) self.save(outputFile) def save(self, filename): d= ConfigDict.ConfigDict() d['ROI'] = {} d['ROI'] = {'roilist': self.mcaROITable.roilist * 1, 'roidict':{}} d['ROI']['roidict'].update(self.mcaROITable.roidict) d.write(filename) def setData(self,*var,**kw): self.info ={} if 'legend' in kw: self.info['legend'] = kw['legend'] del kw['legend'] else: self.info['legend'] = 'Unknown Type' if 'xlabel' in kw: self.info['xlabel'] = kw['xlabel'] del kw['xlabel'] else: self.info['xlabel'] = 'X' if 'rois' in kw: rois = kw['rois'] self.mcaROITable.fillfromrois(rois) self.setHeader(text="%s ROIs of %s" % (self.info['xlabel'], self.info['legend'])) def setHeader(self,*var,**kw): if len(var): text = var[0] elif 'text' in kw: text = kw['text'] elif 'header' in kw: text = kw['header'] else: text = "" self.headerLabel.setText("%s<\b>" % text) def emitSignal(self, ddict): self.sigMcaROIWidgetSignal.emit(ddict) class McaROITable(qt.QTableWidget): sigMcaROITableSignal = qt.pyqtSignal(object) def __init__(self, *args,**kw): super(McaROITable, self).__init__(*args) self.setRowCount(1) self.labels=['ROI','Type','From','To','Raw Counts','Net Counts'] self.setColumnCount(len(self.labels)) i=0 if QTVERSION > '4.2.0': self.setSortingEnabled(False) if 'labels' in kw: for label in kw['labels']: item = self.horizontalHeaderItem(i) if item is None: item = qt.QTableWidgetItem(label, qt.QTableWidgetItem.Type) item.setText(label) self.setHorizontalHeaderItem(i,item) i = i + 1 else: for label in self.labels: item = self.horizontalHeaderItem(i) if item is None: item = qt.QTableWidgetItem(label, qt.QTableWidgetItem.Type) item.setText(label) self.setHorizontalHeaderItem(i,item) i=i+1 self.roidict={} self.roilist=[] if 'roilist' in kw: self.roilist = kw['roilist'] if 'roidict' in kw: self.roidict.update(kw['roilist']) self.building = False self.build() #self.connect(self,qt.SIGNAL("cellClicked(int, int)"),self._mySlot) #self.connect(self,qt.SIGNAL("cellChanged(int, int)"),self._cellChangedSlot) self.cellClicked[(int, int)].connect(self._mySlot) self.cellChanged[(int, int)].connect(self._cellChangedSlot) verticalHeader = self.verticalHeader() verticalHeader.sectionClicked[int].connect(self._rowChangedSlot) def build(self): self.fillFromROIDict(roilist=self.roilist,roidict=self.roidict) def fillFromROIDict(self,roilist=[],roidict={},currentroi=None): self.building = True line0 = 0 self.roilist = [] self.roidict = {} for key in roilist: if key in roidict.keys(): roi = roidict[key] self.roilist.append(key) self.roidict[key] = {} self.roidict[key].update(roi) line0 = line0 + 1 nlines=self.rowCount() if (line0 > nlines): self.setRowCount(line0) line = line0 -1 self.roidict[key]['line'] = line ROI = key roitype = QString("%s" % roi['type']) fromdata= QString("%6g" % (roi['from'])) todata = QString("%6g" % (roi['to'])) if 'rawcounts' in roi: rawcounts= QString("%6g" % (roi['rawcounts'])) else: rawcounts = " ?????? " if 'netcounts' in roi: netcounts= QString("%6g" % (roi['netcounts'])) else: netcounts = " ?????? " fields = [ROI,roitype,fromdata,todata,rawcounts,netcounts] col = 0 for field in fields: key2 = self.item(line, col) if key2 is None: key2 = qt.QTableWidgetItem(field, qt.QTableWidgetItem.Type) self.setItem(line,col,key2) else: key2.setText(field) if (ROI.upper() == 'ICR') or (ROI.upper() == 'DEFAULT'): key2.setFlags(qt.Qt.ItemIsSelectable| qt.Qt.ItemIsEnabled) else: if col in [0, 2, 3]: key2.setFlags(qt.Qt.ItemIsSelectable| qt.Qt.ItemIsEnabled| qt.Qt.ItemIsEditable) else: key2.setFlags(qt.Qt.ItemIsSelectable| qt.Qt.ItemIsEnabled) col=col+1 self.setRowCount(line0) i = 0 for label in self.labels: self.resizeColumnToContents(i) i=i+1 self.sortByColumn(2, qt.Qt.AscendingOrder) for i in range(len(self.roilist)): key = str(self.item(i, 0).text()) self.roilist[i] = key self.roidict[key]['line'] = i if len(self.roilist) == 1: self.selectRow(0) else: if currentroi in self.roidict.keys(): self.selectRow(self.roidict[currentroi]['line']) if DEBUG: print("Qt4 ensureCellVisible to be implemented") self.building = False def addROI(self, roi, key=None): nlines = self.numRows() self.setNumRows(nlines+1) line = nlines if key is None: key = "%d " % line self.roidict[key] = {} self.roidict[key]['line'] = line self.roidict[key]['type'] = roi['type'] self.roidict[key]['from'] = roi['from'] self.roidict[key]['to'] = roi['to'] ROI = key roitype = QString("%s" % roi['type']) fromdata= QString("%6g" % (roi['from'])) todata = QString("%6g" % (roi['to'])) if 'rawcounts' in roi: rawcounts= QString("%6g" % (roi['rawcounts'])) else: rawcounts = " ?????? " self.roidict[key]['rawcounts'] = rawcounts if 'netcounts' in roi: netcounts= QString("%6g" % (roi['netcounts'])) else: netcounts = " ?????? " self.roidict[key]['netcounts'] = netcounts fields = [ROI,roitype,fromdata,todata,rawcounts,netcounts] col = 0 for field in fields: if (ROI == 'ICR') or (ROI.upper() == 'DEFAULT'): key=qttable.QTableItem(self,qttable.QTableItem.Never,field) else: if col == 0: key=qttable.QTableItem(self,qttable.QTableItem.OnTyping,field) else: key=qttable.QTableItem(self,qttable.QTableItem.Never,field) self.setItem(line,col,key) col=col+1 self.sortByColumn(2, qt.Qt.AscendingOrder) for i in range(len(self.roilist)): nkey = str(self.text(i,0)) self.roilist[i] = nkey self.roidict[nkey]['line'] = i self.selectRow(self.roidict[key]['line']) self.ensureCellVisible(self.roidict[key]['line'],0) def getROIListAndDict(self): return self.roilist,self.roidict def _mySlot(self, *var, **kw): #selection changed event #get the current selection row = self.currentRow() col = self.currentColumn() if row >= 0: ddict = {} ddict['event'] = "selectionChanged" ddict['row' ] = row ddict['col' ] = col if row >= len(self.roilist): if DEBUG: print("deleting???") return row = 0 item = self.item(row, 0) if item is None: text="" else: text = str(item.text()) self.roilist[row] = text ddict['roi' ] = self.roidict[self.roilist[row]] ddict['key'] = self.roilist[row] ddict['colheader'] = self.labels[col] ddict['rowheader'] = "%d" % row self.emitSignal(ddict) def _rowChangedSlot(self, row): self._emitSelectionChangedSignal(row, 0) def _cellChangedSlot(self, row, col): if DEBUG: print("_cellChangedSlot(%d, %d)" % (row, col)) if self.building: return if col == 0: self.nameSlot(row, col) else: self._valueChanged(row, col) def _valueChanged(self, row, col): if col not in [2, 3]: return item = self.item(row, col) if item is None: return text = str(item.text()) try: value = float(text) except: return if row >= len(self.roilist): if DEBUG: print("deleting???") return if QTVERSION < '4.0.0': text = str(self.text(row, 0)) else: item = self.item(row, 0) if item is None: text="" else: text = str(item.text()) if not len(text): return if col == 2: self.roidict[text]['from'] = value elif col ==3: self.roidict[text]['to'] = value self._emitSelectionChangedSignal(row, col) def nameSlot(self, row, col): if col != 0: return if row >= len(self.roilist): if DEBUG: print("deleting???") return item = self.item(row, col) if item is None: text="" else: text = str(item.text()) if len(text) and (text not in self.roilist): old = self.roilist[row] self.roilist[row] = text self.roidict[text] = {} self.roidict[text].update(self.roidict[old]) del self.roidict[old] self._emitSelectionChangedSignal(row, col) def _emitSelectionChangedSignal(self, row, col): ddict = {} ddict['event'] = "selectionChanged" ddict['row' ] = row ddict['col' ] = col ddict['roi' ] = self.roidict[self.roilist[row]] ddict['key'] = self.roilist[row] ddict['colheader'] = self.labels[col] ddict['rowheader'] = "%d" % row self.emitSignal(ddict) def mySlot(self,*var,**kw): if len(var) == 0: self._mySlot() return if len(var) == 2: ddict={} row = var[0] col = var[1] if col == 0: if row >= len(self.roilist): if DEBUG: print("deleting???") return row = 0 item = self.item(row, col) if item is None: text="" else: text = str(item.text()) if len(text) and (text not in self.roilist): old = self.roilist[row] self.roilist[row] = text self.roidict[text] = {} self.roidict[text].update(self.roidict[old]) del self.roidict[old] ddict = {} ddict['event'] = "selectionChanged" ddict['row' ] = row ddict['col' ] = col ddict['roi' ] = self.roidict[self.roilist[row]] ddict['key'] = self.roilist[row] ddict['colheader'] = self.labels[col] ddict['rowheader'] = "%d" % row self.emitSignal(ddict) else: if item is None: item = qt.QTableWidgetItem(text, qt.QTableWidgetItem.Type) else: item.setText(text) self._mySlot() def emitSignal(self, ddict): self.sigMcaROITableSignal.emit(ddict) class SimpleComboBox(qt.QComboBox): def __init__(self,parent = None,name = None,fl = 0,options=['1','2','3']): qt.QComboBox.__init__(self,parent) self.setOptions(options) def setOptions(self,options=['1','2','3']): self.clear() self.insertStrList(options) def getCurrent(self): return self.currentItem(),str(self.currentText()) if __name__ == '__main__': app = qt.QApplication([]) demo = McaROIWidget() demo.show() app.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/plotting/RGBCorrelatorGraph.py0000644000276300001750000006744513136054446023370 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2016 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os import numpy from . import PlotWidget from PyMca5.PyMcaGui import PyMcaQt as qt from .PyMca_Icons import IconDict from . import PyMcaPrintPreview from PyMca5.PyMcaCore import PyMcaDirs QTVERSION = qt.qVersion() DEBUG = 0 def convertToRowAndColumn(x, y, shape, xScale=None, yScale=None, safe=True): if xScale is None: c = x else: c = (x - xScale[0]) / xScale[1] if yScale is None: r = y else: r = ( y - yScale[0]) / yScale[1] if safe: c = min(int(c), shape[1] - 1) c = max(c, 0) r = min(int(r), shape[0] - 1) r = max(r, 0) else: c = int(c) r = int(r) return r, c class RGBCorrelatorGraph(qt.QWidget): sigProfileSignal = qt.pyqtSignal(object) def __init__(self, parent = None, backend=None, selection=False, aspect=True, colormap=False, imageicons=False, standalonesave=True, standalonezoom=True, profileselection=False, polygon=False): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(0) self._keepDataAspectRatioFlag = False self._buildToolBar(selection, colormap, imageicons, standalonesave, standalonezoom=standalonezoom, profileselection=profileselection, aspect=aspect, polygon=polygon) self.graph = PlotWidget.PlotWidget(self, backend=backend, aspect=aspect) self.graph.setGraphXLabel("Column") self.graph.setGraphYLabel("Row") self.graph.setYAxisAutoScale(True) self.graph.setXAxisAutoScale(True) if profileselection: if len(self._pickerSelectionButtons): self.graph.sigPlotSignal.connect(\ self._graphPolygonSignalReceived) self._pickerSelectionWidthValue.valueChanged[int].connect( \ self.setPickerSelectionWith) self.saveDirectory = os.getcwd() self.mainLayout.addWidget(self.graph) self.printPreview = PyMcaPrintPreview.PyMcaPrintPreview(modal = 0) if DEBUG: print("printPreview id = %d" % id(self.printPreview)) def sizeHint(self): return qt.QSize(1.5 * qt.QWidget.sizeHint(self).width(), qt.QWidget.sizeHint(self).height()) def _buildToolBar(self, selection=False, colormap=False, imageicons=False, standalonesave=True, standalonezoom=True, profileselection=False, aspect=False, polygon=False): self.solidCircleIcon = qt.QIcon(qt.QPixmap(IconDict["solidcircle"])) self.solidEllipseIcon = qt.QIcon(qt.QPixmap(IconDict["solidellipse"])) self.colormapIcon = qt.QIcon(qt.QPixmap(IconDict["colormap"])) self.selectionIcon = qt.QIcon(qt.QPixmap(IconDict["normal"])) self.zoomResetIcon = qt.QIcon(qt.QPixmap(IconDict["zoomreset"])) self.polygonIcon = qt.QIcon(qt.QPixmap(IconDict["polygon"])) self.printIcon = qt.QIcon(qt.QPixmap(IconDict["fileprint"])) self.saveIcon = qt.QIcon(qt.QPixmap(IconDict["filesave"])) self.xAutoIcon = qt.QIcon(qt.QPixmap(IconDict["xauto"])) self.yAutoIcon = qt.QIcon(qt.QPixmap(IconDict["yauto"])) self.hFlipIcon = qt.QIcon(qt.QPixmap(IconDict["gioconda16mirror"])) self.imageIcon = qt.QIcon(qt.QPixmap(IconDict["image"])) self.eraseSelectionIcon = qt.QIcon(qt.QPixmap(IconDict["eraseselect"])) self.rectSelectionIcon = qt.QIcon(qt.QPixmap(IconDict["boxselect"])) self.brushSelectionIcon = qt.QIcon(qt.QPixmap(IconDict["brushselect"])) self.brushIcon = qt.QIcon(qt.QPixmap(IconDict["brush"])) self.additionalIcon = qt.QIcon(qt.QPixmap(IconDict["additionalselect"])) self.hLineIcon = qt.QIcon(qt.QPixmap(IconDict["horizontal"])) self.vLineIcon = qt.QIcon(qt.QPixmap(IconDict["vertical"])) self.lineIcon = qt.QIcon(qt.QPixmap(IconDict["diagonal"])) self.toolBar = qt.QWidget(self) self.toolBarLayout = qt.QHBoxLayout(self.toolBar) self.toolBarLayout.setContentsMargins(0, 0, 0, 0) self.toolBarLayout.setSpacing(0) self.mainLayout.addWidget(self.toolBar) #Autoscale if standalonezoom: tb = self._addToolButton(self.zoomResetIcon, self.__zoomReset, 'Auto-Scale the Graph') else: tb = self._addToolButton(self.zoomResetIcon, None, 'Auto-Scale the Graph') self.zoomResetToolButton = tb #y Autoscale tb = self._addToolButton(self.yAutoIcon, self._yAutoScaleToggle, 'Toggle Autoscale Y Axis (On/Off)', toggle = True, state=True) tb.setDown(True) self.yAutoScaleToolButton = tb tb.setDown(True) #x Autoscale tb = self._addToolButton(self.xAutoIcon, self._xAutoScaleToggle, 'Toggle Autoscale X Axis (On/Off)', toggle = True, state=True) self.xAutoScaleToolButton = tb tb.setDown(True) #Aspect ratio if aspect: self.aspectButton = self._addToolButton(self.solidCircleIcon, self._aspectButtonSignal, 'Keep data aspect ratio', toggle = False) self.aspectButton.setChecked(False) #colormap if colormap: tb = self._addToolButton(self.colormapIcon, None, 'Change Colormap') self.colormapToolButton = tb #flip tb = self._addToolButton(self.hFlipIcon, None, 'Flip Horizontal') self.hFlipToolButton = tb #save if standalonesave: tb = self._addToolButton(self.saveIcon, self._saveIconSignal, 'Save Graph') else: tb = self._addToolButton(self.saveIcon, None, 'Save') self.saveToolButton = tb #Selection if selection: tb = self._addToolButton(self.selectionIcon, None, 'Toggle Selection Mode', toggle = True, state = False) tb.setDown(False) self.selectionToolButton = tb #image selection icons if imageicons: tb = self._addToolButton(self.imageIcon, None, 'Reset') self.imageToolButton = tb tb = self._addToolButton(self.eraseSelectionIcon, None, 'Erase Selection') self.eraseSelectionToolButton = tb tb = self._addToolButton(self.rectSelectionIcon, None, 'Rectangular Selection') self.rectSelectionToolButton = tb tb = self._addToolButton(self.brushSelectionIcon, None, 'Brush Selection') self.brushSelectionToolButton = tb tb = self._addToolButton(self.brushIcon, None, 'Select Brush') self.brushToolButton = tb if polygon: tb = self._addToolButton(self.polygonIcon, None, 'Polygon selection\nRight click to finish') self.polygonSelectionToolButton = tb tb = self._addToolButton(self.additionalIcon, None, 'Additional Selections Menu') self.additionalSelectionToolButton = tb else: if polygon: tb = self._addToolButton(self.polygonIcon, None, 'Polygon selection\nRight click to finish') self.polygonSelectionToolButton = tb self.imageToolButton = None #picker selection self._pickerSelectionButtons = [] if profileselection: self._profileSelection = True self._polygonSelection = False self._pickerSelectionButtons = [] if self._profileSelection: tb = self._addToolButton(self.hLineIcon, self._hLineProfileClicked, 'Horizontal Profile Selection', toggle=True, state=False) self.hLineProfileButton = tb self._pickerSelectionButtons.append(tb) tb = self._addToolButton(self.vLineIcon, self._vLineProfileClicked, 'Vertical Profile Selection', toggle=True, state=False) self.vLineProfileButton = tb self._pickerSelectionButtons.append(tb) tb = self._addToolButton(self.lineIcon, self._lineProfileClicked, 'Line Profile Selection', toggle=True, state=False) self.lineProfileButton = tb self._pickerSelectionButtons.append(tb) self._pickerSelectionWidthLabel = qt.QLabel(self.toolBar) self._pickerSelectionWidthLabel.setText("W:") self.toolBar.layout().addWidget(self._pickerSelectionWidthLabel) self._pickerSelectionWidthValue = qt.QSpinBox(self.toolBar) self._pickerSelectionWidthValue.setMinimum(0) self._pickerSelectionWidthValue.setMaximum(1000) self._pickerSelectionWidthValue.setValue(1) self.toolBar.layout().addWidget(self._pickerSelectionWidthValue) #tb = self._addToolButton(None, # self._lineProfileClicked, # 'Line Profile Selection', # toggle=True, # state=False) #tb.setText = "W:" #self.lineWidthProfileButton = tb #self._pickerSelectionButtons.append(tb) if self._polygonSelection: print("Polygon selection not implemented yet") #hide profile selection buttons if imageicons: for button in self._pickerSelectionButtons: button.hide() self.infoWidget = qt.QWidget(self.toolBar) self.infoWidget.mainLayout = qt.QHBoxLayout(self.infoWidget) self.infoWidget.mainLayout.setContentsMargins(0, 0, 0, 0) self.infoWidget.mainLayout.setSpacing(0) self.infoWidget.label = qt.QLabel(self.infoWidget) self.infoWidget.label.setText("X = ???? Y = ???? Z = ????") self.infoWidget.mainLayout.addWidget(self.infoWidget.label) self.toolBarLayout.addWidget(self.infoWidget) self.infoWidget.hide() self.toolBarLayout.addWidget(qt.HorizontalSpacer(self.toolBar)) # ---print tb = self._addToolButton(self.printIcon, self.printGraph, 'Prints the Graph') def _aspectButtonSignal(self): if DEBUG: print("_aspectButtonSignal") if self._keepDataAspectRatioFlag: self.keepDataAspectRatio(False) else: self.keepDataAspectRatio(True) def keepDataAspectRatio(self, flag=True): if flag: self._keepDataAspectRatioFlag = True self.aspectButton.setIcon(self.solidEllipseIcon) self.aspectButton.setToolTip("Set free data aspect ratio") else: self._keepDataAspectRatioFlag = False self.aspectButton.setIcon(self.solidCircleIcon) self.aspectButton.setToolTip("Keep data aspect ratio") self.graph.keepDataAspectRatio(self._keepDataAspectRatioFlag) def showInfo(self): self.infoWidget.show() def hideInfo(self): self.infoWidget.hide() def setInfoText(self, text): self.infoWidget.label.setText(text) def setMouseText(self, text=""): try: if len(text): qt.QToolTip.showText(self.cursor().pos(), text, self, qt.QRect()) else: qt.QToolTip.hideText() except: print("Error trying to show mouse text <%s>" % text) def focusOutEvent(self, ev): qt.QToolTip.hideText() def infoText(self): return self.infoWidget.label.text() def setXLabel(self, label="Column"): return self.graph.setGraphXLabel(label) def setYLabel(self, label="Row"): return self.graph.setGraphYLabel(label) def getXLabel(self): return self.graph.getGraphXLabel() def getYLabel(self): return self.graph.getGraphYLabel() def hideImageIcons(self): if self.imageToolButton is None:return self.imageToolButton.hide() self.eraseSelectionToolButton.hide() self.rectSelectionToolButton.hide() self.brushSelectionToolButton.hide() self.brushToolButton.hide() if hasattr(self, "polygonSelectionToolButton"): self.polygonSelectionToolButton.hide() self.additionalSelectionToolButton.hide() def showImageIcons(self): if self.imageToolButton is None:return self.imageToolButton.show() self.eraseSelectionToolButton.show() self.rectSelectionToolButton.show() self.brushSelectionToolButton.show() self.brushToolButton.show() if hasattr(self, "polygonSelectionToolButton"): self.polygonSelectionToolButton.show() self.additionalSelectionToolButton.show() def _hLineProfileClicked(self): for button in self._pickerSelectionButtons: if button != self.hLineProfileButton: button.setChecked(False) if self.hLineProfileButton.isChecked(): self._setPickerSelectionMode("HORIZONTAL") else: self._setPickerSelectionMode(None) def _vLineProfileClicked(self): for button in self._pickerSelectionButtons: if button != self.vLineProfileButton: button.setChecked(False) if self.vLineProfileButton.isChecked(): self._setPickerSelectionMode("VERTICAL") else: self._setPickerSelectionMode(None) def _lineProfileClicked(self): for button in self._pickerSelectionButtons: if button != self.lineProfileButton: button.setChecked(False) if self.lineProfileButton.isChecked(): self._setPickerSelectionMode("LINE") else: self._setPickerSelectionMode(None) def setPickerSelectionWith(self, intValue): self._pickerSelectionWidthValue.setValue(intValue) #get the current mode mode = "NONE" for button in self._pickerSelectionButtons: if button.isChecked(): if button == self.hLineProfileButton: mode = "HORIZONTAL" elif button == self.vLineProfileButton: mode = "VERTICAL" elif button == self.lineProfileButton: mode = "LINE" ddict = {} ddict['event'] = "profileWidthChanged" ddict['pixelwidth'] = self._pickerSelectionWidthValue.value() ddict['mode'] = mode self.sigProfileSignal.emit(ddict) def hideProfileSelectionIcons(self): if not len(self._pickerSelectionButtons): return for button in self._pickerSelectionButtons: button.setChecked(False) button.hide() self._pickerSelectionWidthLabel.hide() self._pickerSelectionWidthValue.hide() #self.graph.setPickerSelectionModeOff() self.graph.setDrawModeEnabled(False) def showProfileSelectionIcons(self): if not len(self._pickerSelectionButtons): return for button in self._pickerSelectionButtons: button.show() self._pickerSelectionWidthLabel.show() self._pickerSelectionWidthValue.show() def getPickerSelectionMode(self): if not len(self._pickerSelectionButtons): return None if self.hLineProfileButton.isChecked(): return "HORIZONTAL" if self.vLineProfileButton.isChecked(): return "VERTICAL" if self.lineProfileButton.isChecked(): return "LINE" return None def _setPickerSelectionMode(self, mode=None): if mode is None: self.graph.setDrawModeEnabled(False) self.graph.setZoomModeEnabled(True) else: if mode == "HORIZONTAL": shape = "hline" elif mode == "VERTICAL": shape = "vline" else: shape = "line" self.graph.setZoomModeEnabled(False) self.graph.setDrawModeEnabled(True, shape=shape, label=mode) ddict = {} if mode is None: mode = "NONE" ddict['event'] = "profileModeChanged" ddict['mode'] = mode self.sigProfileSignal.emit(ddict) def _graphPolygonSignalReceived(self, ddict): if DEBUG: print("PolygonSignal Received") for key in ddict.keys(): print(key, ddict[key]) if ddict['event'] not in ['drawingProgress', 'drawingFinished']: return label = ddict['parameters']['label'] if label not in ['HORIZONTAL', 'VERTICAL', 'LINE']: return ddict['mode'] = label ddict['pixelwidth'] = self._pickerSelectionWidthValue.value() self.sigProfileSignal.emit(ddict) def _addToolButton(self, icon, action, tip, toggle=None, state=None, position=None): tb = qt.QToolButton(self.toolBar) if icon is not None: tb.setIcon(icon) tb.setToolTip(tip) if toggle is not None: if toggle: tb.setCheckable(1) if state is not None: if state: tb.setChecked(state) else: tb.setChecked(False) if position is not None: self.toolBarLayout.insertWidget(position, tb) else: self.toolBarLayout.addWidget(tb) if action is not None: tb.clicked.connect(action) return tb def __zoomReset(self): self._zoomReset() def _zoomReset(self, replot=None): if DEBUG: print("_zoomReset") if replot is None: replot = True if self.graph is not None: self.graph.resetZoom() if replot: self.graph.replot() def _yAutoScaleToggle(self): if self.graph is not None: if self.graph.isYAxisAutoScale(): self.graph.setYAxisAutoScale(False) self.yAutoScaleToolButton.setDown(False) else: self.graph.setYAxisAutoScale(True) self.yAutoScaleToolButton.setDown(True) def _xAutoScaleToggle(self): if self.graph is not None: if self.graph.isXAxisAutoScale(): self.graph.setXAxisAutoScale(False) self.xAutoScaleToolButton.setDown(False) else: self.graph.setXAxisAutoScale(True) self.xAutoScaleToolButton.setDown(True) def _saveIconSignal(self): self.saveDirectory = PyMcaDirs.outputDir fileTypeList = ["Image *.png", "Image *.jpg", "ZoomedImage *.png", "ZoomedImage *.jpg", "Widget *.png", "Widget *.jpg"] outfile = qt.QFileDialog(self) outfile.setModal(1) outfile.setWindowTitle("Output File Selection") if hasattr(qt, "QStringList"): strlist = qt.QStringList() else: strlist = [] for f in fileTypeList: strlist.append(f) if hasattr(outfile, "setFilters"): outfile.setFilters(strlist) else: outfile.setNameFilters(strlist) outfile.setFileMode(outfile.AnyFile) outfile.setAcceptMode(qt.QFileDialog.AcceptSave) outfile.setDirectory(self.saveDirectory) ret = outfile.exec_() if not ret: return if hasattr(outfile, "selectedFilter"): filterused = qt.safe_str(outfile.selectedFilter()).split() else: filterused = qt.safe_str(outfile.selectedNameFilter()).split() filetype = filterused[0] extension = filterused[1] outstr = qt.safe_str(outfile.selectedFiles()[0]) try: outputFile = os.path.basename(outstr) except: outputFile = outstr outputDir = os.path.dirname(outstr) self.saveDirectory = outputDir PyMcaDirs.outputDir = outputDir #always overwrite for the time being if len(outputFile) < len(extension[1:]): outputFile += extension[1:] elif outputFile[-4:] != extension[1:]: outputFile += extension[1:] outputFile = os.path.join(outputDir, outputFile) if os.path.exists(outputFile): try: os.remove(outputFile) except: qt.QMessageBox.critical(self, "Save Error", "Cannot overwrite existing file") return if filetype.upper() == "IMAGE": self.saveGraphImage(outputFile, original = True) elif filetype.upper() == "ZOOMEDIMAGE": self.saveGraphImage(outputFile, original = False) else: self.saveGraphWidget(outputFile) def saveGraphImage(self, filename, original = False): format_ = filename[-3:].upper() #This is the whole image, not the zoomed one ... rgbData, legend, info, pixmap = self.graph.getActiveImage() if original: # save whole image bgrData = numpy.array(rgbData, copy=True) bgrData[:,:,0] = rgbData[:, :, 2] bgrData[:,:,2] = rgbData[:, :, 0] else: xScale = info.get("plot_xScale", None) yScale = info.get("plot_yScale", None) shape = rgbData.shape[:2] xmin, xmax = self.graph.getGraphXLimits() ymin, ymax = self.graph.getGraphYLimits() # save zoomed image, for that we have to get the limits r0, c0 = convertToRowAndColumn(xmin, ymin, shape, xScale=xScale, yScale=yScale, safe=True) r1, c1 = convertToRowAndColumn(xmax, ymax, shape, xScale=xScale, yScale=yScale, safe=True) row0 = int(min(r0, r1)) row1 = int(max(r0, r1)) col0 = int(min(c0, c1)) col1 = int(max(c0, c1)) if row1 < shape[0]: row1 += 1 if col1 < shape[1]: col1 += 1 tmpArray = rgbData[row0:row1, col0:col1, :] bgrData = numpy.array(tmpArray, copy=True, dtype=rgbData.dtype) bgrData[:,:,0] = tmpArray[:, :, 2] bgrData[:,:,2] = tmpArray[:, :, 0] if self.graph.isYAxisInverted(): qImage = qt.QImage(bgrData, bgrData.shape[1], bgrData.shape[0], qt.QImage.Format_RGB32) else: qImage = qt.QImage(bgrData, bgrData.shape[1], bgrData.shape[0], qt.QImage.Format_RGB32).mirrored(False, True) pixmap = qt.QPixmap.fromImage(qImage) if pixmap.save(filename, format_): return else: qt.QMessageBox.critical(self, "Save Error", "%s" % sys.exc_info()[1]) return def saveGraphWidget(self, filename): format_ = filename[-3:].upper() if hasattr(qt.QPixmap, "graphWidget"): # Qt4 pixmap = qt.QPixmap.grabWidget(self.graph.getWidgetHandle()) else: # Qt5 pixmap = self.graph.getWidgetHandle().grab() if pixmap.save(filename, format_): return else: qt.QMessageBox.critical(self, "Save Error", "%s" % sys.exc_info()[1]) return def setSaveDirectory(self, wdir): if os.path.exists(wdir): self.saveDirectory = wdir return True else: return False def printGraph(self): if hasattr(qt.QPixmap, "grabWidget"): pixmap = qt.QPixmap.grabWidget(self.graph.getWidgetHandle()) else: pixmap = self.graph.getWidgetHandle().grab() self.printPreview.addPixmap(pixmap) if self.printPreview.isReady(): if self.printPreview.isHidden(): self.printPreview.show() self.printPreview.raise_() def selectColormap(self): qt.QMessageBox.information(self, "Open", "Not implemented (yet)") class MyQLabel(qt.QLabel): def __init__(self,parent=None,name=None,fl=0,bold=True, color= qt.Qt.red): qt.QLabel.__init__(self,parent) palette = self.palette() role = self.foregroundRole() palette.setColor(role,color) self.setPalette(palette) self.font().setBold(bold) def test(): app = qt.QApplication([]) app.lastWindowClosed.connect(app.quit) container = RGBCorrelatorGraph() container.show() app.exec_() if __name__ == "__main__": test() PyMca5-5.2.2/PyMca5/PyMcaGui/PluginsToolButton.py0000644000276300001750000002162113173367502021535 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2017 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ """This module defines a QToolButton opening a plugin menu when clicked: - :class:`PluginsToolButton` This button takes a plot object as constructor parameter. The plot can be a legacy *PyMca* plot widget, or a *silx* plot widget. The minor API incompatibilities between the plugins and the *silx* plot widget are solved using a proxy class (:class:`PlotProxySilx`). This button inherits :class:`PluginLoader` to load the plugins. It also acts as a plot proxy to dynamically provide the plot methods needed by the plugins. This is done in its method :meth:`PluginsToolButton.__getattr__` which looks for needed methods in :attr:`PluginsToolButton.plot`. """ # TODO: we should probably support future plugins using the new silx plot API # (e.g. expecting 5 return values from getActiveCurve() ...) import logging import os import sys import traceback import weakref from silx.gui import qt from PyMca5.PyMcaGraph.PluginLoader import PluginLoader from PyMca5.PyMcaGui.plotting.PyMca_Icons import IconDict _logger = logging.getLogger(__name__) def _toggleLogger(): """Toggle logger level for logging.DEBUG to logging.WARNING and vice-versa.""" if _logger.getEffectiveLevel() == logging.DEBUG: _logger.setLevel(logging.WARNING) else: _logger.setLevel(logging.DEBUG) class PluginsToolButton(qt.QToolButton, PluginLoader): """Toolbutton providing a context menu loaded with PyMca plugins. It behaves as a proxy for accessing the plot methods from the plugins. :param plot: reference to related plot widget :param parent: Parent QWidget widget """ def __init__(self, plot, parent=None): qt.QToolButton.__init__(self, parent) self.setIcon(qt.QIcon(qt.QPixmap(IconDict["plugin"]))) self.setToolTip("Call/Load 1D Plugins") # fill attr pluginList and pluginInstanceDict with existing plugins PluginLoader.__init__(self, method='getPlugin1DInstance') # plugins expect a legacy API, not the silx Plot API self.plot = weakref.proxy(plot, self._ooPlotDestroyed) self.clicked.connect(self._pluginClicked) def _ooPlotDestroyed(self): self.setEnabled(False) def __getattr__(self, attr): """Plot API for plugins: forward calls for unknown methods to :attr:`plot`.""" try: return getattr(self.plot, attr) except AttributeError: # blame plot class for missing attribute, not PluginsToolButton raise AttributeError( self.plot.__class__.__name__ + " has no attribute " + attr) def _pluginClicked(self): actionNames = [] menu = qt.QMenu(self) menu.addAction("Reload Plugins") actionNames.append("Reload Plugins") menu.addAction("Set User Plugin Directory") actionNames.append("Set User Plugin Directory") if _logger.getEffectiveLevel() == logging.DEBUG: text = "Toggle DEBUG mode OFF" else: text = "Toggle DEBUG mode ON" menu.addAction(text) menu.addSeparator() actionNames.append(text) callableKeys = ["Dummy0", "Dummy1", "Dummy2"] pluginInstances = self.pluginInstanceDict for pluginName in self.pluginList: if pluginName in ["PyMcaPlugins.Plugin1DBase", "Plugin1DBase"]: continue module = sys.modules[pluginName] if hasattr(module, 'MENU_TEXT'): text = module.MENU_TEXT else: text = os.path.basename(module.__file__) if text.endswith('.pyc'): text = text[:-4] elif text.endswith('.py'): text = text[:-3] methods = pluginInstances[pluginName].getMethods( plottype=self.plot._plotType) if not len(methods): continue elif len(methods) == 1: pixmap = pluginInstances[pluginName].getMethodPixmap(methods[0]) tip = pluginInstances[pluginName].getMethodToolTip(methods[0]) if pixmap is not None: action = qt.QAction(qt.QIcon(qt.QPixmap(pixmap)), text, self) else: action = qt.QAction(text, self) if tip is not None: action.setToolTip(tip) menu.addAction(action) else: menu.addAction(text) actionNames.append(text) callableKeys.append(pluginName) menu.hovered.connect(self._actionHovered) a = menu.exec_(qt.QCursor.pos()) if a is None: return None idx = actionNames.index(a.text()) if a.text() == "Reload Plugins": n, message = self.getPlugins(exceptions=True) if n < 1: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Information) msg.setWindowTitle("No plugins") msg.setInformativeText(" Problem loading plugins ") msg.setDetailedText(message) msg.exec_() return if a.text() == "Set User Plugin Directory": dirName = qt.QFileDialog.getExistingDirectory( self, "Enter user plugins directory", os.getcwd()) if len(dirName): pluginsDir = self.getPluginDirectoryList() pluginsDirList = [pluginsDir[0], dirName] self.setPluginDirectoryList(pluginsDirList) return if "Toggle DEBUG mode" in a.text(): _toggleLogger() key = callableKeys[idx] methods = pluginInstances[key].getMethods( plottype=self.plot._plotType) if len(methods) == 1: idx = 0 else: actionNames = [] # allow the plugin designer to specify the order #methods.sort() menu = qt.QMenu(self) for method in methods: text = method pixmap = pluginInstances[key].getMethodPixmap(method) tip = pluginInstances[key].getMethodToolTip(method) if pixmap is not None: action = qt.QAction(qt.QIcon(qt.QPixmap(pixmap)), text, self) else: action = qt.QAction(text, self) if tip is not None: action.setToolTip(tip) menu.addAction(action) actionNames.append((text, pixmap, tip, action)) #qt.QObject.connect(menu, qt.SIGNAL("hovered(QAction *)"), self._actionHovered) menu.hovered.connect(self._actionHovered) a = menu.exec_(qt.QCursor.pos()) if a is None: return None idx = -1 for action in actionNames: if a.text() == action[0]: idx = actionNames.index(action) try: pluginInstances[key].applyMethod(methods[idx]) except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setWindowTitle("Plugin error") msg.setText("An error has occured while executing the plugin:") msg.setInformativeText(str(sys.exc_info()[1])) msg.setDetailedText(traceback.format_exc()) msg.exec_() def _actionHovered(self, action): # from PyMca5 PlotWindow tip = action.toolTip() if str(tip) != str(action.text()): qt.QToolTip.showText(qt.QCursor.pos(), tip) else: qt.QToolTip.hideText() PyMca5-5.2.2/PyMca5/PyMcaGui/math/0000755000276300001750000000000013205526235016433 5ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/PyMcaGui/math/NNMAWindow.py0000644000276300001750000003146113136054446020736 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import numpy from PyMca5.PyMcaGui.math import PCAWindow from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaMath.mva import NNMAModule class NNMAParametersDialog(qt.QDialog): def __init__(self, parent = None, options=[1, 2, 3, 4, 5, 10]): qt.QDialog.__init__(self, parent) self.setWindowTitle("NNMA Configuration Dialog") self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(11, 11, 11, 11) self.mainLayout.setSpacing(0) self.infoButton = qt.QPushButton(self) self.infoButton.setAutoDefault(False) self.infoButton.setText('About NNMA') self.mainLayout.addWidget(self.infoButton) self.infoButton.clicked.connect(self._showInfo) # self.methodOptions = qt.QGroupBox(self) self.methodOptions.setTitle('NNMA Method to use') self.methods = ['RRI', 'NNSC', 'NMF', 'SNMF', 'NMFKL', 'FNMAI', 'ALS', 'FastHALS', 'GDCLS'] self.methodOptions.mainLayout = qt.QGridLayout(self.methodOptions) self.methodOptions.mainLayout.setContentsMargins(0, 0, 0, 0) self.methodOptions.mainLayout.setSpacing(2) self.buttonGroup = qt.QButtonGroup(self.methodOptions) i = 0 for item in self.methods: rButton = qt.QRadioButton(self.methodOptions) self.methodOptions.mainLayout.addWidget(rButton, 0, i) #self.l.setAlignment(rButton, qt.Qt.AlignHCenter) if i == 1: rButton.setChecked(True) rButton.setText(item) self.buttonGroup.addButton(rButton) self.buttonGroup.setId(rButton, i) i += 1 self.buttonGroup.buttonPressed[int].connect(self._slot) self.mainLayout.addWidget(self.methodOptions) # NNMA configuration parameters self.nnmaConfiguration = qt.QGroupBox(self) self.nnmaConfiguration.setTitle('NNMA Configuration') self.nnmaConfiguration.mainLayout = qt.QGridLayout(self.nnmaConfiguration) self.nnmaConfiguration.mainLayout.setContentsMargins(0, 0, 0, 0) self.nnmaConfiguration.mainLayout.setSpacing(2) label = qt.QLabel(self.nnmaConfiguration) label.setText('Tolerance (0 self._shape[i]: offset = self._shape[i] - width if offset < 0: print("This should not happen") offset = 0 self.widgetDict[key]['offset'].setValue(offset) return else: lastItem = 0 for j in range(1, 11): v = pow(2, j) if v <= (self._shape[i] - offset): lastItem = "%d" % v self.widgetDict[key]['width'].addItem(lastItem) self.emitParametersWidgetSignal() def _widthValueChanged(self, value): if self._settingShape: return ddict = self.getParameters() for i in range(self._nDimensions): key = "Dim %d" % i offset = ddict[key]['offset'] width = ddict[key]['width'] if (offset + width) > self._shape[i]: offset = self._shape[i] - width self.widgetDict[key]['offset'].setValue(offset) return self.emitParametersWidgetSignal() def setShape(self, shape): if len(shape) != self._nDimensions: raise ValueError("Shape length does not match number of dimensions") self._shape = shape self._settingShape = True for i in range(self._nDimensions): key = "Dim %d" % i # offset current = self.widgetDict[key]['offset'].value() self.widgetDict[key]['offset'].setMinimum(0) self.widgetDict[key]['offset'].setMaximum(shape[i] - 1) if current < shape[0]: self.widgetDict[key]['offset'].setValue(current) else: self.widgetDict[key]['offset'].setValue(0) # width current = str(self.widgetDict[key]['width'].currentText()) self.widgetDict[key]['width'].clear() nMax = int(numpy.log10(self._shape[i])/numpy.log10(2)) for j in range(1, nMax + 1): self.widgetDict[key]['width'].addItem("%d" % pow(2, j)) self.widgetDict[key]['width'].setCurrentIndex(nMax - 1) self._settingShape = False def getParameters(self): ddict = {} for i in range(self._nDimensions): key = "Dim %d" % i ddict[key] = {} ddict[key]['offset'] = self.widgetDict[key]['offset'].value() width = str(self.widgetDict[key]['width'].currentText()) ddict[key]['width'] = int(width) ddict['shape'] = self._shape * 1 return ddict def emitParametersWidgetSignal(self, event="ParametersChanged"): ddict = self.getParameters() ddict['event'] = "ParametersChanged" self.parametersWidgetSignal.emit(ddict) class OutputFile(qt.QWidget): def __init__(self, parent=None): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QHBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.checkBox = qt.QCheckBox(self) self.checkBox.setText("Use") self.fileName = qt.QLineEdit(self) self.fileName.setText("") self.fileName.setReadOnly(True) self.browse = qt.QPushButton(self) self.browse.setAutoDefault(False) self.browse.setText("Browse") self.browse.clicked.connect(self.browseFile) self.mainLayout.addWidget(self.checkBox) self.mainLayout.addWidget(self.fileName) self.mainLayout.addWidget(self.browse) def browseFile(self): filelist = PyMcaFileDialogs.getFileList(self, filetypelist=['HDF5 files (*.h5)'], message="Please enter output file", mode="SAVE", single=True) if len(filelist): name = filelist[0] if not name.endswith('.h5'): name = name + ".h5" self.fileName.setText(name) def getParameters(self): ddict = {} ddict['file_use'] = self.checkBox.isChecked() ddict['file_name'] = qt.safe_str(self.fileName.text()) return ddict def setForcedFileOutput(self, flag=True): if flag: self.checkBox.setChecked(True) self.checkBox.setEnabled(False) else: self.checkBox.setChecked(False) self.checkBox.setEnabled(True) class FFTAlignmentWindow(qt.QWidget): def __init__(self, parent=None, stack=None): qt.QWidget.__init__(self, parent) self.setWindowTitle("FFT Alignment") self._build() def _build(self): self.mainLayout = qt.QVBoxLayout(self) self.parametersWidget = ParametersWidget(self) self.outputFileWidget = OutputFile(self) self.imageBrowser = ExternalImagesWindow.ExternalImagesWindow(self, crop=False, selection=False, imageicons=False) self.mainLayout.addWidget(self.parametersWidget) self.mainLayout.addWidget(self.outputFileWidget) self.mainLayout.addWidget(self.imageBrowser) self.parametersWidget.parametersWidgetSignal.connect(self.mySlot) def setStack(self, stack, index=None): if index is None: if hasattr(stack, "info"): index = stack.info.get('McaIndex') else: index = 0 if hasattr(stack, "info") and hasattr(stack, "data"): data = stack.data else: data = stack if isinstance(data, numpy.ndarray): self.outputFileWidget.setForcedFileOutput(False) else: self.outputFileWidget.setForcedFileOutput(True) self.imageBrowser.setStack(data, index=index) shape = self.imageBrowser.getImageData().shape self.parametersWidget.setShape(shape) ddict = self.parametersWidget.getParameters() self.mySlot(ddict) def getParameters(self): parameters = self.parametersWidget.getParameters() parameters['reference_image'] = self.imageBrowser.getImageData() parameters.update(self.outputFileWidget.getParameters()) parameters['reference_index'] = self.imageBrowser.getCurrentIndex() return parameters def mySlot(self, ddict): mask = self.imageBrowser.getSelectionMask() i0start = ddict['Dim 0']['offset'] i0end = i0start + ddict['Dim 0']['width'] i1start = ddict['Dim 1']['offset'] i1end = i1start + ddict['Dim 1']['width'] mask[:,:] = 0 mask[i0start:i0end, i1start:i1end] = 1 self.imageBrowser.setSelectionMask(mask) class FFTAlignmentDialog(qt.QDialog): def __init__(self, parent=None): qt.QDialog.__init__(self, parent) self.setWindowTitle("FFT Alignment Dialog") self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.parametersWidget = FFTAlignmentWindow(self) self.mainLayout.addWidget(self.parametersWidget) hbox = qt.QWidget(self) hboxLayout = qt.QHBoxLayout(hbox) hboxLayout.setContentsMargins(0, 0, 0, 0) hboxLayout.setSpacing(0) self.okButton = qt.QPushButton(hbox) self.okButton.setText("OK") self.okButton.setAutoDefault(False) self.dismissButton = qt.QPushButton(hbox) self.dismissButton.setText("Cancel") self.dismissButton.setAutoDefault(False) hboxLayout.addWidget(self.okButton) hboxLayout.addWidget(qt.HorizontalSpacer(hbox)) hboxLayout.addWidget(self.dismissButton) self.mainLayout.addWidget(hbox) self.dismissButton.clicked.connect(self.reject) self.okButton.clicked.connect(self.accept) self.setStack = self.parametersWidget.setStack self.setDummyStack() def setDummyStack(self): dummyStack = numpy.arange(2 * 128 *256) dummyStack.shape = 2, 128, 256 self.setStack(dummyStack, index=0) def getParameters(self): return self.parametersWidget.getParameters() def accept(self): parameters = self.getParameters() if parameters['file_use']: if not len(parameters['file_name']): qt.QMessageBox.information(self, "Missing valid file name", "Please provide a valid output file name") return shape = parameters['shape'] for i in range(len(shape)): key = "Dim %d" % i offset = parameters[key]['offset'] width = parameters[key]['width'] if (offset + width) > shape[i]: qt.QMessageBox.information(self, "Check window", "Inconsistent limits on dimension %d" % i) return return qt.QDialog.accept(self) def reject(self): self.setDummyStack() return qt.QDialog.reject(self) def closeEvent(self, ev): self.setDummyStack() return qt.QDialog.closeEvent(self, ev) if __name__ == "__main__": #create a dummy stack nrows = 100 ncols = 200 nchannels = 1024 a = numpy.ones((nrows, ncols), numpy.float) stackData = numpy.zeros((nrows, ncols, nchannels), numpy.float) for i in range(nchannels): stackData[:, :, i] = a * i app = qt.QApplication([]) app.lastWindowClosed.connect(app.quit) w = FFTAlignmentDialog() w.setStack(stackData, index=0) w.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/math/__init__.py0000644000276300001750000000000013136054446020535 0ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/PyMcaGui/math/NNMADialog.py0000644000276300001750000002463413136054446020672 0ustar solebliss00000000000000#!/usr/bin/env python #/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import numpy import time from PyMca5.PyMcaGui import PyMcaQt as qt from . import NNMAWindow NNMA = True DEBUG = 0 class SimpleThread(qt.QThread): def __init__(self, function, *var, **kw): if kw is None:kw={} qt.QThread.__init__(self) self._function = function self._var = var self._kw = kw self._result = None def run(self): if DEBUG: self._result = self._function(*self._var, **self._kw ) else: try: self._result = self._function(*self._var, **self._kw ) except: self._result = ("Exception",) + sys.exc_info() class NNMADialog(qt.QDialog): def __init__(self, parent=None, rgbwidget=None, selection=False): qt.QDialog.__init__(self, parent) self.setWindowTitle("NNMA calculation dialog") self.mainLayout = qt.QVBoxLayout(self) self.calculateButton = qt.QPushButton(self) self.calculateButton.setAutoDefault(False) self.calculateButton.setText("Perform NNMA") self.showLastButton = qt.QPushButton(self) self.showLastButton.setAutoDefault(False) self.showLastButton.setText("Last Results") self.mainLayout.addWidget(self.calculateButton) self.mainLayout.addWidget(self.showLastButton) self._data = None self.nnmaWindow = NNMAWindow.NNMAWindow(parent = None, rgbwidget=rgbwidget, #selection=True, selection=selection, colormap=True, #imageicons=True, imageicons=selection, standalonesave=True) self.nnmaWindow.setDefaultColormap(0, logflag=False) self.nnmaParametersDialog = None self.nnmaWindow.hide() #connections self.calculateButton.clicked.connect(self._calculateSlot) self.showLastButton.clicked.connect(self._showLastSlot) def sizeHint(self): return qt.QSize(int(4*qt.QDialog.sizeHint(self).width()), qt.QDialog.sizeHint(self).height()) def _calculateSlot(self): if self._data is None: msg = qt.QMessageBox(self) msg.setWindowTitle("No data") msg.setIcon(qt.QMessageBox.Information) msg.setText("No data to perform calculation") msg.exec_() return if self.nnmaParametersDialog is None: self.nnmaParametersDialog = NNMAWindow.NNMAParametersDialog(self) self.nnmaParametersDialog.nPC.setMaximum(self._spectrumLength) self.nnmaParametersDialog.nPC.setValue(min(10, self._spectrumLength)) ddict = {'options':self._binningOptions, 'binning': 1, 'method': 0} self.nnmaParametersDialog.setParameters(ddict) ret = self.nnmaParametersDialog.exec_() if ret: if DEBUG: t0 = time.time() nnmaParameters = self.nnmaParametersDialog.getParameters() self.nnmaParametersDialog.close() function = nnmaParameters['function'] binning = nnmaParameters['binning'] npc = nnmaParameters['npc'] kw = nnmaParameters['kw'] data = self._data old_shape = self._data.shape if DEBUG: images, eigenvalues, eigenvectors = function(data, npc, binning=binning, **kw) else: try: threadResult = self._submitThread(function, data, npc, binning=binning, **kw) if type(threadResult) == type((1,)): if len(threadResult): if threadResult[0] == "Exception": raise Exception(threadResult[1],threadResult[2]) images, eigenvalues, eigenvectors = threadResult except: if isinstance(data, numpy.ndarray): self._data.shape = old_shape msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("%s" % sys.exc_info()[1]) msg.exec_() return if isinstance(self._data, numpy.ndarray): self._data.shape = old_shape if DEBUG: print("NNMA Elapsed = ", time.time() - t0) self.nnmaWindow.setPCAData(images, eigenvalues, eigenvectors) self.nnmaWindow.show() self.nnmaWindow.raise_() def _showLastSlot(self): self.nnmaWindow.show() self.nnmaWindow.raise_() def setData(self, data=None, spectrumindex=-1): if type(data) == type([]): #assume is an image list if data[0].dtype not in [numpy.float32, numpy.float64]: dtype = numpy.float64 else: dtype = data[0].dtype self._spectrumLength = len(data) self._shape = data[0].shape n = 1 for shape in self._shape: n *= shape self._binningOptions = [1] if len(self._shape) == 1: self._data = numpy.zeros((self._shape[0], self._spectrumLength), dtype) for i in range(self._spectrumLength): self._data[:, i] = data[i][:] elif len(self._shape) == 2: self._data = numpy.zeros((self._shape[0], self._shape[1], self._spectrumLength), dtype) for i in range(self._spectrumLength): self._data[:, :, i] = data[i][:,:] else: self._shape = data.shape self._data = data self._spectrumLength = self._shape[spectrumindex] self._binningOptions=[1] for number in [2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 13, 15, 17, 19]: if (self._spectrumLength % number) == 0: self._binningOptions.append(number) if self.nnmaParametersDialog is not None: self.nnmaParametersDialog.nPC.setMaximum(self._spectrumLength) self.nnmaParametersDialog.nPC.setValue(min(10, self._spectrumLength)) def _submitThread(self, function, *var, **kw): message = "Please Wait: NNMA Going On" sthread = SimpleThread(function, *var, **kw) return self._startThread(sthread, message) def _startThread(self, sthread, message): sthread.start() if 0: msg = qt.QDialog(self, qt.Qt.FramelessWindowHint) msg.setModal(0) else: msg = qt.QDialog(self, qt.Qt.FramelessWindowHint) msg.setModal(1) msg.setWindowTitle("Please Wait") layout = qt.QHBoxLayout(msg) layout.setContentsMargins(0, 0, 0, 0) layout.setSpacing(0) l1 = qt.QLabel(msg) l1.setFixedWidth(l1.fontMetrics().width('##')) l2 = qt.QLabel(msg) l2.setText("%s" % message) l3 = qt.QLabel(msg) l3.setFixedWidth(l3.fontMetrics().width('##')) layout.addWidget(l1) layout.addWidget(l2) layout.addWidget(l3) msg.show() qApp = qt.QApplication.instance() qApp.processEvents() i = 0 ticks = ['-','\\', "|", "/","-","\\",'|','/'] while (sthread.isRunning()): i = (i+1) % 8 l1.setText(ticks[i]) l3.setText(" "+ticks[i]) qApp = qt.QApplication.instance() qApp.processEvents() time.sleep(2) msg.close() result = sthread._result del sthread self.raise_() return result if __name__ == "__main__": import os from PyMca5.PyMcaIO import EdfFile app = qt.QApplication([]) app.lastWindowClosed.connect(app.quit) d = NNMADialog() imageList = [] for t in ["mix1.edf", "mix2.edf", "mix3.edf"]: fname = os.path.join(os.path.dirname(__file__), "tests", t) if not os.path.exists(fname): break edf = EdfFile.EdfFile(fname) data = edf.GetData(0) edf = None imageList.append(data) if len(imageList): d.setData(imageList) d.show() app.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/math/StripBackgroundWidget.py0000644000276300001750000003533713136054446023270 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import numpy from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaGui import PlotWindow from PyMca5.PyMcaMath.fitting import SpecfitFuns class StripParametersWidget(qt.QWidget): sigStripParametersWidgetSignal = qt.pyqtSignal(object) def __init__(self, parent=None): qt.QWidget.__init__(self, parent) self.build() def build(self): self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(11, 11, 11, 11) self.mainLayout.setSpacing(6) #strip algorithm self.stripComboLabel = qt.QLabel(self) self.stripComboLabel.setText("Non-analytical (or estimation) background algorithm") self.stripCombo = qt.QComboBox(self) self.stripCombo.addItem(str("Strip")) self.stripCombo.addItem(str("SNIP")) self.stripCombo.activated[int].connect(self._stripComboActivated) #SNIP width self.snipWidthLabel = qt.QLabel(self) self.snipWidthLabel.setText(str("SNIP Background Width")) self.snipWidthSpin = qt.QSpinBox(self) self.snipWidthSpin.setMaximum(300) self.snipWidthSpin.setMinimum(0) self.snipWidthSpin.valueChanged[int].connect(self._emitSignal) #Strip width self.stripWidthLabel = qt.QLabel(self) self.stripWidthLabel.setText(str("Strip Background Width")) self.stripWidthSpin = qt.QSpinBox(self) self.stripWidthSpin.setMaximum(100) self.stripWidthSpin.setMinimum(1) self.stripWidthSpin.valueChanged[int].connect(self._emitSignal) #Strip iterations self.stripIterLabel = qt.QLabel(self) self.stripIterLabel.setText(str("Strip Background Iterations")) self.stripIterValue = qt.QLineEdit(self) validator = qt.QIntValidator(self.stripIterValue) self.stripIterValue._v = validator self.stripIterValue.editingFinished[()].connect(self._emitSignal) #Strip smoothing self.stripFilterLabel = qt.QLabel(self) self.stripFilterLabel.setText(str("Strip Background Smoothing Width (Savitsky-Golay)")) self.stripFilterSpin = qt.QSpinBox(self) self.stripFilterSpin.setMinimum(1) self.stripFilterSpin.setMaximum(40) self.stripFilterSpin.setSingleStep(2) self.stripFilterSpin.valueChanged[int].connect(self._emitSignal) #anchors self.anchorsContainer = qt.QWidget(self) anchorsContainerLayout = qt.QHBoxLayout(self.anchorsContainer) anchorsContainerLayout.setContentsMargins(0, 0, 0, 0) anchorsContainerLayout.setSpacing(2) self.stripAnchorsFlagCheck = qt.QCheckBox(self.anchorsContainer) self.stripAnchorsFlagCheck.setText(str("Strip Background use Anchors")) self.stripAnchorsFlagCheck.stateChanged[int].connect( \ self._emitSignal) anchorsContainerLayout.addWidget(self.stripAnchorsFlagCheck) #self.iterSpin = qt.QSpinBox(self) #self.iterSpin.setMinimum(1) maxnchannel = 16384*4 self.stripAnchorsList = [] for i in range(4): anchorSpin = qt.QSpinBox(self.anchorsContainer) anchorSpin.setMinimum(0) anchorSpin.setMaximum(maxnchannel) anchorSpin.valueChanged[int].connect(self._emitSignal) anchorsContainerLayout.addWidget(anchorSpin) self.stripAnchorsList.append(anchorSpin) self.mainLayout.setColumnStretch(0, 1) row = 0 self.mainLayout.addWidget(self.stripComboLabel, row, 0) self.mainLayout.addWidget(self.stripCombo, row, 4) row += 1 self.mainLayout.addWidget(self.snipWidthLabel,row, 0) self.mainLayout.addWidget(self.snipWidthSpin, row, 4) row += 1 self.mainLayout.addWidget(self.stripWidthLabel, row, 0) self.mainLayout.addWidget(self.stripWidthSpin, row, 4) row += 1 self.mainLayout.addWidget(self.stripIterLabel, row, 0) self.mainLayout.addWidget(self.stripIterValue, row, 4) row += 1 self.mainLayout.addWidget(self.stripFilterLabel, row, 0) self.mainLayout.addWidget(self.stripFilterSpin, row, 4) row += 1 self.mainLayout.addWidget(self.anchorsContainer, row, 0, 1, 5) self._stripComboActivated(0) def _stripComboActivated(self, iValue): if iValue == 1: self.setSNIP(True) else: self.setSNIP(False) def setSNIP(self, bValue): if bValue: self.snipWidthSpin.setEnabled(True) self.stripWidthSpin.setEnabled(False) #self.stripFilterSpin.setEnabled(False) self.stripIterValue.setEnabled(False) self.stripCombo.setCurrentIndex(1) else: self.snipWidthSpin.setEnabled(False) #self.stripFilterSpin.setEnabled(True) self.stripWidthSpin.setEnabled(True) self.stripIterValue.setEnabled(True) self.stripCombo.setCurrentIndex(0) def setParameters(self, ddict): if 'fit' in ddict: pars = ddict['fit'] else: pars = ddict key = "stripalgorithm" if key in pars: stripAlgorithm = int(pars[key]) self.setSNIP(stripAlgorithm) key = "snipwidth" if key in pars: self.snipWidthSpin.setValue(int(pars[key])) key = "stripwidth" if key in pars: self.stripWidthSpin.setValue(int(pars[key])) key = "stripiterations" if key in pars: self.stripIterValue.setText("%d" % int(pars[key])) key = "stripfilterwidth" if key in pars: self.stripFilterSpin.setValue(int(pars[key])) key = "stripanchorsflag" if key in pars: self.stripAnchorsFlagCheck.setChecked(int(pars[key])) key = "stripanchorslist" if key in pars: anchorslist = pars[key] if anchorslist in [None, 'None']: anchorslist = [] for spin in self.stripAnchorsList: spin.setValue(0) i = 0 for value in anchorslist: self.stripAnchorsList[i].setValue(int(value)) i += 1 def getParameters(self): pars = {} pars["stripalgorithm"] = int(self.stripCombo.currentIndex()) pars["stripconstant"]= 1.0 pars["snipwidth"] = self.snipWidthSpin.value() txt = str(self.stripIterValue.text()) if len(txt): pars["stripiterations"]= int(txt) else: pars["stripiterations"] = 0 pars["stripwidth"]= self.stripWidthSpin.value() pars["stripfilterwidth"] = self.stripFilterSpin.value() pars["stripanchorsflag"] = int(self.stripAnchorsFlagCheck.isChecked()) pars["stripanchorslist"] = [] for spin in self.stripAnchorsList: pars["stripanchorslist"].append(spin.value()) return pars def _emitSignal(self, dummy=None): ddict= {} ddict['event']='ParametersChanged' ddict['parameters'] = self.getParameters() self.sigStripParametersWidgetSignal.emit(ddict) class StripBackgroundWidget(qt.QWidget): def __init__(self, parent=None): qt.QWidget.__init__(self, parent) self.setWindowTitle("Strip and SNIP Configuration Window") self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) self.parametersWidget = StripParametersWidget(self) self.graphWidget = PlotWindow.PlotWindow(self, newplot=False, plugins=False, fit=False) self.mainLayout.addWidget(self.parametersWidget) self.mainLayout.addWidget(self.graphWidget) self.getParameters = self.parametersWidget.getParameters self.setParameters = self.parametersWidget.setParameters self._x = None self._y = None self.parametersWidget.sigStripParametersWidgetSignal.connect( \ self._slot) def setData(self, x, y): self._x = x self._y = y self.update() def _slot(self, ddict): self.update() def update(self): if self._y is None: return pars = self.getParameters() #smoothed data y = numpy.ravel(numpy.array(self._y)).astype(numpy.float) ysmooth = SpecfitFuns.SavitskyGolay(y, pars['stripfilterwidth']) f=[0.25,0.5,0.25] ysmooth[1:-1] = numpy.convolve(ysmooth,f,mode=0) ysmooth[0] = 0.5 *(ysmooth[0] + ysmooth[1]) ysmooth[-1] = 0.5 * (ysmooth[-1] + ysmooth[-2]) #loop for anchors x = self._x niter = pars['stripiterations'] anchorslist = [] if pars['stripanchorsflag']: if pars['stripanchorslist'] is not None: ravelled = x for channel in pars['stripanchorslist']: if channel <= ravelled[0]:continue index = numpy.nonzero(ravelled >= channel)[0] if len(index): index = min(index) if index > 0: anchorslist.append(index) if niter > 1000: stripBackground = SpecfitFuns.subac(ysmooth, pars['stripconstant'], niter, pars['stripwidth'], anchorslist) #final smoothing stripBackground = SpecfitFuns.subac(stripBackground, pars['stripconstant'], 500,1, anchorslist) elif niter > 0: stripBackground = SpecfitFuns.subac(ysmooth, pars['stripconstant'], niter, pars['stripwidth'], anchorslist) else: stripBackground = 0.0 * ysmooth + ysmooth.min() if len(anchorslist) == 0: anchorslist = [0, len(ysmooth)-1] anchorslist.sort() snipBackground = 0.0 * ysmooth lastAnchor = 0 width = pars['snipwidth'] for anchor in anchorslist: if (anchor > lastAnchor) and (anchor < len(ysmooth)): snipBackground[lastAnchor:anchor] =\ SpecfitFuns.snip1d(ysmooth[lastAnchor:anchor], width, 0) lastAnchor = anchor if lastAnchor < len(ysmooth): snipBackground[lastAnchor:] =\ SpecfitFuns.snip1d(ysmooth[lastAnchor:], width, 0) self.graphWidget.addCurve(x, y, \ legend='Input Data',\ replace=True, replot=False) self.graphWidget.addCurve(x, stripBackground,\ legend='Strip Background',\ replot=False) self.graphWidget.addCurve(x, snipBackground,\ legend='SNIP Background', replot=True) class StripBackgroundDialog(qt.QDialog): def __init__(self, parent=None): qt.QDialog.__init__(self, parent) self.setWindowTitle("Strip and SNIP Configuration Window") self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) self.parametersWidget = StripBackgroundWidget(self) self.setData = self.parametersWidget.setData self.getParameters = self.parametersWidget.getParameters self.setParameters = self.parametersWidget.setParameters self.mainLayout.addWidget(self.parametersWidget) hbox = qt.QWidget(self) hboxLayout = qt.QHBoxLayout(hbox) hboxLayout.setContentsMargins(0, 0, 0, 0) hboxLayout.setSpacing(2) self.okButton = qt.QPushButton(hbox) self.okButton.setText("OK") self.okButton.setAutoDefault(False) self.dismissButton = qt.QPushButton(hbox) self.dismissButton.setText("Cancel") self.dismissButton.setAutoDefault(False) hboxLayout.addWidget(qt.HorizontalSpacer(hbox)) hboxLayout.addWidget(self.okButton) hboxLayout.addWidget(self.dismissButton) self.mainLayout.addWidget(hbox) self.dismissButton.clicked.connect(self.reject) self.okButton.clicked.connect(self.accept) def sizeHint(self): return qt.QSize(int(1.5*qt.QDialog.sizeHint(self).width()), qt.QDialog.sizeHint(self).height()) if __name__ == "__main__": a = qt.QApplication(sys.argv) a.lastWindowClosed.connect(a.quit) w = StripBackgroundDialog() def mySlot(ddict): print(ddict) w.parametersWidget.parametersWidget.\ sigStripParametersWidgetSignal.connect(mySlot) x = numpy.arange(1000.).astype(numpy.float32) y = 100 + x + 100 * numpy.exp(-0.5*(x-500) * (x-500)/ 30.) w.setData(x, y) w.exec_() #a.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/math/SNIPWindow.py0000644000276300001750000004455413136054446020765 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaGui import PyMca_Icons IconDict = PyMca_Icons.IconDict from PyMca5.PyMcaGui import MaskImageWidget from PyMca5.PyMcaGui import ScanWindow from PyMca5.PyMcaMath import SNIPModule OBJECT3D = False try: from PyMca5.Object3D import Object3DScene OBJECT3D = True except: try: # Frozen version handling from Object3D import Object3DScene OBJECT3D = True except: OBJECT3D = False class SNIP1DParametersWidget(qt.QWidget): sigSNIPParametersSignal = qt.pyqtSignal(object) def __init__(self, parent = None, length=2000, smooth=False): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) i = 0 self.parametersDict = {'roi_min':0, 'roi_max':length, 'width':min(30, length/10), 'smoothing':1} textLabels = ["SNIP background width (2 to 3 times fwhm) :", "Minimum channel considered:", "Maximum channel considered:", "Preliminar smoothing level:"] if smooth: textLabels[0] = "SNIP width :" self.parametersDict['width'] = 3 for text in textLabels: label = qt.QLabel(self) label.setText(text) self.mainLayout.addWidget(label, i, 0) #self.mainLayout.addWidget(qt.HorizontalSpacer(self), i, 1) i +=1 i = 0 self.widgetDict = {} for key in ['width', 'roi_min', 'roi_max', 'smoothing']: self.widgetDict[key] = qt.QSpinBox(self) self.widgetDict[key].setMinimum(0) self.widgetDict[key].setMaximum(self.parametersDict['roi_max']) self.widgetDict[key].setValue(self.parametersDict[key]) self.widgetDict[key].valueChanged[int].connect(self._updateParameters) self.mainLayout.addWidget(self.widgetDict[key], i, 1) i += 1 self.widgetDict['smoothing'].setMaximum(100) def _updateParameters(self, val): for key in ['width', 'roi_min', 'roi_max', 'smoothing']: self.parametersDict[key] = self.widgetDict[key].value() ddict = {} ddict['event']='SNIPParametersChanged' ddict.update(self.parametersDict) self.sigSNIPParametersSignal.emit(ddict) def getParameters(self): return self.parametersDict def setParameters(self, ddict=None): if ddict is None: return actualKeys = self.widgetDict.keys() for key in ddict.keys(): if key in actualKeys: w = self.widgetDict[key] #w.setMaximum(max(ddict[key], w.value())) #w.setMinimum(min(ddict[key], w.value())) w.setValue(ddict[key]) self._updateParameters("dummy") class SNIP2DParametersWidget(qt.QWidget): sigSNIPParametersSignal = qt.pyqtSignal(object) def __init__(self, parent = None, shape=(4000,4000)): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) i = 0 self.parametersDict = {'roi_min':[0,0], 'roi_max':[shape[0], shape[1]], 'width':min(30, int(min(shape)/10)), 'smoothing':1} for text in ["SNIP background width (2 to 3 times fwhm) :", "Minimum ROI channels considered:", "Maximum ROI channels considered:", "Pleliminar smoothing level:"]: label = qt.QLabel(self) label.setText(text) self.mainLayout.addWidget(label, i, 0) #self.mainLayout.addWidget(qt.HorizontalSpacer(self), i, 1) i +=1 i = 0 self.widgetDict = {} for key in ['width', 'roi_min', 'roi_max', 'smoothing']: if key in ['width', 'smoothing']: spinBox = qt.QSpinBox(self) spinBox.setMinimum(0) spinBox.setMaximum(min(self.parametersDict['roi_max'])) spinBox.setValue(self.parametersDict[key]) spinBox.valueChanged[int].connect(self._updateParameters) self.mainLayout.addWidget(spinBox, i, 2) self.widgetDict[key] = spinBox elif 1: lineEdit = qt.QLineEdit(self) validator = qt.QIntValidator(lineEdit) lineEdit.setValidator(validator) lineEdit._validator = validator lineEdit.setText("%d" % self.parametersDict[key][0]) lineEdit.editingFinished[()].connect( \ self._updateParameters) self.mainLayout.addWidget(lineEdit, i, 1) self.widgetDict[key] = [lineEdit] lineEdit = qt.QLineEdit(self) validator = qt.QIntValidator(lineEdit) lineEdit.setValidator(validator) lineEdit._validator = validator lineEdit.setText("%d" % self.parametersDict[key][1]) lineEdit.editingFinished.connect(self._updateParameters) self.mainLayout.addWidget(lineEdit, i, 2) self.widgetDict[key].append(lineEdit) else: spinBox = qt.QSpinBox(self) spinBox.setMinimum(0) spinBox.setMaximum(self.parametersDict['roi_max'][0]) spinBox.setValue(self.parametersDict[key][0]) spinBox.valueChanged[int].connect(self._updateParameters) self.mainLayout.addWidget(spinBox, i, 1) self.widgetDict[key] = [spinBox] spinBox = qt.QSpinBox(self) spinBox.setMinimum(0) spinBox.setMaximum(self.parametersDict['roi_max'][1]) spinBox.setValue(self.parametersDict[key][1]) spinBox.valueChanged[int].connect(self._updateParameters) self.mainLayout.addWidget(spinBox, i, 2) self.widgetDict[key].append(spinBox) i += 1 self.widgetDict['smoothing'].setMaximum(100) def _updateParameters(self, val=None): for key in ['width', 'smoothing']: self.parametersDict[key] = self.widgetDict[key].value() for key in ['roi_min', 'roi_max']: self.parametersDict[key] = [int(self.widgetDict[key][0].text()), int(self.widgetDict[key][1].text())] ddict = {} ddict['event']='SNIPParametersChanged' ddict.update(self.parametersDict) self.sigSNIPParametersSignal.emit(ddict) def getParameters(self): return self.parametersDict def setParameters(self): raise NotImplemented("Set parameters not implemented for SNIP 2D") class SNIPWindow(qt.QWidget): def __init__(self, parent, data, image=None, x=None, smooth=False): qt.QWidget.__init__(self, parent) self.setWindowTitle("SNIP Configuration Window") self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) if image is None: image = False if data.shape == 2: if 1 not in data.shape: image = True else: spectrum = data.ravel() else: spectrum = data elif not image: spectrum = data self.__smooth = smooth self.__image = image if self.__image: self.spectrum = None else: if x is None: self.xValues = range(len(spectrum)) else: self.xValues = x if self.__image: self.image = data self.graphWidget = MaskImageWidget.MaskImageWidget(self, colormap=True, selection=False, imageicons=False, standalonesave=True) self.parametersWidget = SNIP2DParametersWidget(self, shape=self.image.shape) self.graph = self.graphWidget.graphWidget.graph self.graphWidget.setImageData(data) self.mainLayout.addWidget(self.parametersWidget) self.mainLayout.addWidget(self.graphWidget) self.o3dScene = None else: self.image = None self.spectrum = spectrum self.parametersWidget = SNIP1DParametersWidget(self, length=len(spectrum), smooth=smooth) self.graph = ScanWindow.ScanWindow(self) self.graph.newCurve(self.xValues, spectrum, "Spectrum", replace=True) self.mainLayout.addWidget(self.parametersWidget) self.mainLayout.addWidget(self.graph) self.xMarkers = [] self.yMarkers = [] self.getParameters = self.parametersWidget.getParameters self.setParameters = self.parametersWidget.setParameters self.parametersWidget.sigSNIPParametersSignal.connect( \ self.updateGraph) self.updateGraph(self.getParameters()) def updateGraph(self, ddict): width = ddict['width'] roi_min = ddict['roi_min'] roi_max = ddict['roi_max'] smoothing = ddict['smoothing'] if self.__image: if self.xMarkers == []: xMin, xMax = self.graph.getGraphXLimits() yMin, yMax = self.graph.getGraphYLimits() xMean = 0.5 * (xMin + xMax) yMean = 0.5 * (yMin + yMax) self.xMarkers.append(self.graph.insertXMarker(roi_min[1], legend='C Min', text='C Min')) self.xMarkers.append(self.graph.insertXMarker(roi_max[1], legend='C Max', text='C Max')) self.yMarkers.append(self.graph.insertYMarker(roi_min[0], legend='R Min', text='R Min')) self.yMarkers.append(self.graph.insertYMarker(roi_max[0], legend='R Max', text='R Max')) else: self.graph.insertXMarker(roi_min[1], legend='C Min', text='C Min') self.graph.insertXMarker(roi_max[1], legend='C Max', text='C Max') self.graph.insertYMarker(roi_min[0], legend='R Min', text='R Min') self.graph.insertYMarker(roi_max[0], legend='R Max', text='R Max') self.background = SNIPModule.getImageBackground(self.image, width, roi_min=roi_min, roi_max=roi_max, smoothing=smoothing) difference = self.image-self.background self.graphWidget.setImageData(difference) if OBJECT3D: if self.o3dScene is None: self.o3dScene = Object3DScene.Object3DScene() self.o3dScene.show() if 0: imageData =(self.image * 1).astype(numpy.float32) backgroundData = (self.background * 1).astype(numpy.float32) self.o3dScene.mesh(imageData, z=imageData * 1, legend='Data', update_scene=True) self.o3dScene.mesh(backgroundData, z=backgroundData , legend='Background', update_scene=True) else: self.o3dScene.mesh(difference, z=difference, legend='Data-Background') self.o3dScene.show() else: self.background = SNIPModule.getSpectrumBackground(self.spectrum, width, roi_min=roi_min, roi_max=roi_max, smoothing=smoothing) if self.__smooth: legend0 = "Smoothed Spectrum" else: legend0 = "Background" self.graph.addCurve(self.xValues, self.background, legend0, replace=False) #Force information update legend = self.graph.getActiveCurve(just_legend=True) if legend.startswith(legend0[0:5]): self.graph.setActiveCurve(legend) class SNIPDialog(qt.QDialog): def __init__(self, parent, data, x=None, smooth=False): qt.QDialog.__init__(self, parent) self.setWindowTitle("SNIP Configuration Dialog") self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(10, 10, 10, 10) self.mainLayout.setSpacing(2) self.__image = False self.__smooth = smooth if len(data.shape) == 2: if 1 not in data.shape: image = data self.__image = True else: spectrum = data.ravel() else: spectrum = data if self.__image: self.parametersWidget = SNIPWindow(self, image, image=True, x=x) else: self.parametersWidget = SNIPWindow(self, spectrum, image=False, x=x, smooth=smooth) self.graph = self.parametersWidget.graph self.mainLayout.addWidget(self.parametersWidget) hbox = qt.QWidget(self) hboxLayout = qt.QHBoxLayout(hbox) hboxLayout.setContentsMargins(0, 0, 0, 0) hboxLayout.setSpacing(0) self.okButton = qt.QPushButton(hbox) self.okButton.setText("OK") self.okButton.setAutoDefault(False) self.dismissButton = qt.QPushButton(hbox) self.dismissButton.setText("Cancel") self.dismissButton.setAutoDefault(False) hboxLayout.addWidget(self.okButton) hboxLayout.addWidget(qt.HorizontalSpacer(hbox)) hboxLayout.addWidget(self.dismissButton) self.mainLayout.addWidget(hbox) self.dismissButton.clicked.connect(self.reject) self.okButton.clicked.connect(self.accept) def getParameters(self): parametersDict = self.parametersWidget.getParameters() if self.__image: parametersDict['function'] = SNIPModule.subtractSnip2DBackgroundFromStack elif self.__smooth: parametersDict['function'] = SNIPModule.replaceStackWithSnip1DBackground else: parametersDict['function'] = SNIPModule.subtractSnip1DBackgroundFromStack parametersDict['arguments'] = [parametersDict['width'], parametersDict['roi_min'], parametersDict['roi_max'], parametersDict['smoothing']] return parametersDict def setParameters(self, ddict0): if 'arguments' in ddict0: ddict = {} ddict['width'] = ddict0['arguments'][0] ddict['roi_min'] = ddict0['arguments'][1] ddict['roi_max'] = ddict0['arguments'][2] ddict['smoothing'] = ddict0['arguments'][3] self.parametersWidget.setParameters(ddict) else: self.parametersWidget.setParameters(ddict0) if __name__ == "__main__": import numpy app = qt.QApplication([]) if 0: noise = numpy.random.randn(1000.) y=numpy.arange(1000.) w = SNIPDialog(None, y+numpy.sqrt(y)* noise) elif len(sys.argv) > 1: from PyMca5.PyMcaIO import EdfFile edf = EdfFile.EdfFile(sys.argv[1]) data = edf.GetData(0) w = SNIPDialog(None, data) else: x, y = numpy.ogrid[0:200:200j, 0:200:200j] data = 50 * numpy.exp(-(x-64)*(x-64)/20.) +\ 50 * numpy.exp(-(y-128)*(y-128)/20.) +\ 100 * numpy.exp(-(1./20) * ((x-64)*(x-64) + (y-128)*(y-128))) w = SNIPDialog(None, data) w.show() ret=w.exec_() if ret: print(w.getParameters()) PyMca5-5.2.2/PyMca5/PyMcaGui/math/SIFTAlignmentWindow.py0000644000276300001750000003206613136054446022613 0ustar solebliss00000000000000#!/usr/bin/env python #/*########################################################################## # Copyright (C) 2004-2015 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import os import sys import numpy from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaGui import ExternalImagesWindow from PyMca5.PyMcaGui import PyMcaFileDialogs from PyMca5.PyMcaMath import sift DEBUG = 0 if DEBUG: print("SIFT coming from %s" % os.path.abspath(sift.__file__)) __doc__ ="""The SIFT algorithm belongs to the University of British Columbia. It is protected by patent US6711293. If you are on a country where this pattent applies (like the USA), please check if you are allowed to use it. The University of British Columbia does not require a license for its use for non-commercial research applications. This SIFT implementation uses the code developed by Jerome Kieffer and Pierre Paleo. The project is hosted at: https://github.com/kif/sift_pyocl This algorithm should provide better results than FFT based algorithms provided the images to be aligned provide enough registration points (or common "features"). You can restrict the region of the images to be used by drawing a mask. If you do not find any device listed under OpenCL devices that could mean you do not have any OpenCL driver installed in your system. Windows users can at least install the CPU OpenCL drivers from AMD. You can easily find them searching the internet for AMD Accelerated Parallel Processing SDK. Mac users should have OpenCL provided with their operating system. Linux users probably need to install PyMca as provided by their distribution. Please note that introduces an additional dependency of PyMca on PyOpenCL. sift_pyocl license follows: Copyright(C) 2013 European Synchrotron Radiation Facility, Grenoble, France Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions: The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software. THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE. """ class ParametersWidget(qt.QWidget): parametersWidgetSignal = qt.pyqtSignal(object) def __init__(self, parent=None, ndim=2): qt.QWidget.__init__(self, parent) self._nDimensions = 2 self._shape = 3000, 3000 self._settingShape = False self._build() devices = self.getOpenCLDevices() if len(devices): self.deviceSelector.clear() for device in devices: self.deviceSelector.addItem("(%d, %d) %s" % (device[0], device[1], device[2])) def _build(self): self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) #self.aboutSiftButton = qt.QPushButton(self) #self.aboutSiftButton.setText("Please read prior to use!") #self.aboutSiftButton.clicked.connect(self._showInfo) # info self._infoDocument = qt.QTextEdit() self._infoDocument.setReadOnly(True) self._infoDocument.setMaximumHeight(150) self._infoDocument.setText(__doc__) #self._infoDocument.hide() label = qt.QLabel(self) label.setText("OpenCL Device:") self.deviceSelector = qt.QComboBox(self) self.deviceSelector.addItem("(-1, -1) No OpenCL device found") #self.mainLayout.addWidget(self.aboutSiftButton, 0, 0, 1, 2) self.mainLayout.addWidget(self._infoDocument, 0, 0, 2, 2) self.mainLayout.addWidget(label, 2, 0) self.mainLayout.addWidget(self.deviceSelector, 2, 1) def emitParametersWidgetSignal(self, event="ParametersChanged"): ddict = self.getParameters() ddict['event'] = "ParametersChanged" self.parametersWidgetSignal.emit(ddict) def _showInfo(self): if self._infoDocument.isHidden(): self._infoDocument.show() else: self._infoDocument.hide() def getOpenCLDevices(self): devices = [] if sift.opencl.ocl is not None: for platformid, platform in enumerate(sift.opencl.ocl.platforms): for deviceid, dev in enumerate(platform.devices): devices.append((platformid, deviceid, dev.name)) return devices def getParameters(self): txt = str(self.deviceSelector.currentText()).split(")")[0] txt = txt[1:].split(",") device = (int(txt[0]), int(txt[1])) return {'opencl_device':device} class OutputFile(qt.QWidget): def __init__(self, parent=None): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QHBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.checkBox = qt.QCheckBox(self) self.checkBox.setText("Use") self.fileName = qt.QLineEdit(self) self.fileName.setText("") self.fileName.setReadOnly(True) self.browse = qt.QPushButton(self) self.browse.setAutoDefault(False) self.browse.setText("Browse") self.browse.clicked.connect(self.browseFile) self.mainLayout.addWidget(self.checkBox) self.mainLayout.addWidget(self.fileName) self.mainLayout.addWidget(self.browse) def browseFile(self): filelist = PyMcaFileDialogs.getFileList(self, filetypelist=['HDF5 files (*.h5)'], message="Please enter output file", mode="SAVE", single=True) if len(filelist): name = filelist[0] if not name.endswith('.h5'): name = name + ".h5" self.fileName.setText(name) def getParameters(self): ddict = {} ddict['file_use'] = self.checkBox.isChecked() ddict['file_name'] = qt.safe_str(self.fileName.text()) return ddict def setForcedFileOutput(self, flag=True): if flag: self.checkBox.setChecked(True) self.checkBox.setEnabled(False) else: self.checkBox.setChecked(False) self.checkBox.setEnabled(True) class SIFTAlignmentWindow(qt.QWidget): def __init__(self, parent=None, stack=None): qt.QWidget.__init__(self, parent) self.setWindowTitle("SIFT Alignment") self._build() def _build(self): self.mainLayout = qt.QVBoxLayout(self) self.parametersWidget = ParametersWidget(self) self.outputFileWidget = OutputFile(self) self.imageBrowser = ExternalImagesWindow.ExternalImagesWindow(self, crop=False, selection=True, imageicons=True) self.mainLayout.addWidget(self.parametersWidget) self.mainLayout.addWidget(self.outputFileWidget) self.mainLayout.addWidget(self.imageBrowser) self.parametersWidget.parametersWidgetSignal.connect(self.mySlot) def setStack(self, stack, index=None): if index is None: if hasattr(stack, "info"): index = stack.info.get('McaIndex') else: index = 0 if hasattr(stack, "info") and hasattr(stack, "data"): data = stack.data else: data = stack if isinstance(data, numpy.ndarray): self.outputFileWidget.setForcedFileOutput(False) else: self.outputFileWidget.setForcedFileOutput(True) self.imageBrowser.setStack(data, index=index) #shape = self.imageBrowser.getImageData().shape #self.parametersWidget.setShape(shape) #ddict = self.parametersWidget.getParameters() #self.mySlot(ddict) def getParameters(self): parameters = self.parametersWidget.getParameters() parameters['reference_image'] = self.imageBrowser.getImageData() parameters.update(self.outputFileWidget.getParameters()) parameters['reference_index'] = self.imageBrowser.getCurrentIndex() parameters['mask'] = self.imageBrowser.getSelectionMask() return parameters def mySlot(self, ddict): mask = self.imageBrowser.getSelectionMask() i0start = ddict['Dim 0']['offset'] i0end = i0start + ddict['Dim 0']['width'] i1start = ddict['Dim 1']['offset'] i1end = i1start + ddict['Dim 1']['width'] mask[:,:] = 0 mask[i0start:i0end, i1start:i1end] = 1 self.imageBrowser.setSelectionMask(mask) class SIFTAlignmentDialog(qt.QDialog): def __init__(self, parent=None): qt.QDialog.__init__(self, parent) self.setWindowTitle("SIFT Alignment Dialog") self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.parametersWidget = SIFTAlignmentWindow(self) self.mainLayout.addWidget(self.parametersWidget) hbox = qt.QWidget(self) hboxLayout = qt.QHBoxLayout(hbox) hboxLayout.setContentsMargins(0, 0, 0, 0) hboxLayout.setSpacing(0) self.okButton = qt.QPushButton(hbox) self.okButton.setText("OK") self.okButton.setAutoDefault(False) self.dismissButton = qt.QPushButton(hbox) self.dismissButton.setText("Cancel") self.dismissButton.setAutoDefault(False) hboxLayout.addWidget(self.okButton) hboxLayout.addWidget(qt.HorizontalSpacer(hbox)) hboxLayout.addWidget(self.dismissButton) self.mainLayout.addWidget(hbox) self.dismissButton.clicked.connect(self.reject) self.okButton.clicked.connect(self.accept) self.setStack = self.parametersWidget.setStack self.setSelectionMask = self.parametersWidget.imageBrowser.setSelectionMask self.setDummyStack() def setDummyStack(self): dummyStack = numpy.arange(2 * 128 *256) dummyStack.shape = 2, 128, 256 self.setStack(dummyStack, index=0) def getParameters(self): return self.parametersWidget.getParameters() def accept(self): parameters = self.getParameters() if parameters['file_use']: if not len(parameters['file_name']): qt.QMessageBox.information(self, "Missing valid file name", "Please provide a valid output file name") return return qt.QDialog.accept(self) def reject(self): self.setDummyStack() return qt.QDialog.reject(self) def closeEvent(self, ev): self.setDummyStack() return qt.QDialog.closeEvent(self, ev) if __name__ == "__main__": #create a dummy stack nrows = 100 ncols = 200 nchannels = 1024 a = numpy.ones((nrows, ncols), numpy.float) stackData = numpy.zeros((nrows, ncols, nchannels), numpy.float) for i in range(nchannels): stackData[:, :, i] = a * i app = qt.QApplication([]) app.lastWindowClosed.connect(app.quit) w = SIFTAlignmentDialog() w.setStack(stackData, index=0) ret = w.exec_() if ret: print(w.getParameters()) PyMca5-5.2.2/PyMca5/PyMcaGui/math/SGWindow.py0000644000276300001750000002020113136054446020504 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaGui import PyMca_Icons IconDict = PyMca_Icons.IconDict from PyMca5.PyMcaGui import MaskImageWidget from PyMca5.PyMcaGui import ScanWindow from PyMca5.PyMcaMath import SGModule class SGParametersWidget(qt.QWidget): sigSGParametersSignal = qt.pyqtSignal(object) def __init__(self, parent = None, length=2000): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) i = 0 self._keyList = ['points', 'degree', 'order'] self.parametersDict = {'points':3, 'degree':1, 'order':0} for text in ["Savitzky-Golay filter width:", "Interpolating polynomial degree:", "Derivative order (0=smoothing):"]: label = qt.QLabel(self) label.setText(text) self.mainLayout.addWidget(label, i, 0) #self.mainLayout.addWidget(qt.HorizontalSpacer(self), i, 1) i +=1 i = 0 self.widgetDict = {} for key in self._keyList: self.widgetDict[key] = qt.QSpinBox(self) self.widgetDict[key].setMinimum(1) self.widgetDict[key].setMaximum(100) self.widgetDict[key].setValue(self.parametersDict[key]) self.widgetDict[key].valueChanged[int].connect( \ self._updateParameters) self.mainLayout.addWidget(self.widgetDict[key], i, 1) i += 1 self.widgetDict['order'].setMinimum(0) self.widgetDict['order'].setValue(0) self.widgetDict['order'].setMaximum(4) def setParameters(self, ddict): for key in ddict: if key in self._keyList: self.widgetDict[key].setValue(ddict[key]) dummy = 0 self._updateParameters(dummy) def _updateParameters(self, val): for key in self._keyList: self.parametersDict[key] = self.widgetDict[key].value() self.widgetDict['order'].setMaximum(self.parametersDict['degree']) if self.parametersDict['order'] > self.parametersDict['degree']: self.parametersDict['order']=self.parametersDict['degree'] self.widgetDict['order'].setValue(self.parametersDict['order']) ddict = {} ddict['event']='SGParametersChanged' ddict.update(self.parametersDict) self.sigSGParametersSignal.emit(ddict) def getParameters(self): return self.parametersDict class SGWindow(qt.QWidget): def __init__(self, parent, data, image=None, x=None): qt.QWidget.__init__(self, parent) self.setWindowTitle("Savitzky-Golay Filter Configuration Window") self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) spectrum = data if x is None: self.xValues = range(len(spectrum)) else: self.xValues = x self.image = None self.spectrum = spectrum self.parametersWidget = SGParametersWidget(self, length=len(spectrum)) self.graph = ScanWindow.ScanWindow(self) self.graph.newCurve(self.xValues, spectrum, "Spectrum", replace=True) self.mainLayout.addWidget(self.parametersWidget) self.mainLayout.addWidget(self.graph) self.getParameters = self.parametersWidget.getParameters self.setParameters = self.parametersWidget.setParameters self.parametersWidget.sigSGParametersSignal.connect(self.updateGraph) self.updateGraph(self.getParameters()) def updateGraph(self, ddict): points = ddict['points'] degree = ddict['degree'] order = ddict['order'] self.background = SGModule.getSavitzkyGolay(self.spectrum, points, degree=degree, order=order) if order > 0: maptoy2 = True else: maptoy2 = False self.graph.newCurve(self.xValues, self.background, "Filtered Spectrum", replace=False, maptoy2=maptoy2) #Force information update legend = self.graph.getActiveCurve(just_legend=True) if legend.startswith('Filtered'): self.graph.setActiveCurve(legend) class SGDialog(qt.QDialog): def __init__(self, parent, data, x=None): qt.QDialog.__init__(self, parent) self.setWindowTitle("Savitzky-Golay Configuration Dialog") self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(10, 10, 10, 10) self.mainLayout.setSpacing(2) self.__image = False if len(data.shape) == 2: spectrum = data.ravel() else: spectrum = data self.parametersWidget = SGWindow(self, spectrum, image=False, x=x) self.graph = self.parametersWidget.graph self.mainLayout.addWidget(self.parametersWidget) hbox = qt.QWidget(self) hboxLayout = qt.QHBoxLayout(hbox) hboxLayout.setContentsMargins(0, 0, 0, 0) hboxLayout.setSpacing(0) self.okButton = qt.QPushButton(hbox) self.okButton.setText("OK") self.okButton.setAutoDefault(False) self.dismissButton = qt.QPushButton(hbox) self.dismissButton.setText("Cancel") self.dismissButton.setAutoDefault(False) hboxLayout.addWidget(self.okButton) hboxLayout.addWidget(qt.HorizontalSpacer(hbox)) hboxLayout.addWidget(self.dismissButton) self.mainLayout.addWidget(hbox) self.dismissButton.clicked.connect(self.reject) self.okButton.clicked.connect(self.accept) def getParameters(self): parametersDict = self.parametersWidget.getParameters() parametersDict['function'] = SGModule.replaceStackWithSavitzkyGolay parametersDict['arguments'] = [parametersDict['points'], parametersDict['degree'], parametersDict['order']] return parametersDict def setParameters(self, ddict): return self.parametersWidget.setParameters(ddict) if __name__ == "__main__": import numpy app = qt.QApplication([]) if 1: noise = numpy.random.randn(1000.) y=numpy.arange(1000.) w = SGDialog(None, y+numpy.sqrt(y)* noise) w.show() ret=w.exec_() if ret: print(w.getParameters()) PyMca5-5.2.2/PyMca5/PyMcaGui/math/fitting/0000755000276300001750000000000013205526235020077 5ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/PyMcaGui/math/fitting/MultiParameters.py0000644000276300001750000003154113136054446023576 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import os import sys from PyMca5.PyMcaGui import PyMcaQt as qt from . import Parameters QTVERSION = qt.qVersion() from . import McaTable DEBUG = 0 class ParametersTab(qt.QTabWidget): sigMultiParametersSignal = qt.pyqtSignal(object) def __init__(self,parent = None, name = "FitParameters"): qt.QTabWidget.__init__(self, parent) self.setWindowTitle(name) #geometry #self.resize(570,300) #self.setCaption(self.trUtf8(name)) #initialize the numer of tabs to 1 #self.TabWidget=QTabWidget(self,"ParametersTab") #self.TabWidget.setGeometry(QRect(25,25,450,350)) #the widgets in the notebook self.views={} #the names of the widgets (to have them in order) self.tabs=[] #the widgets/tables themselves self.tables={} self.mcatable=None self.setContentsMargins(10, 10, 10, 10) self.setview(name="Region 1") def setview(self,name=None,fitparameterslist=None): if name is None: name = self.current if name in self.tables.keys(): table=self.tables[name] else: #create the parameters instance self.tables[name]=Parameters.Parameters(self) table=self.tables[name] self.tabs.append(name) self.views[name]=table #if qVersion() >= '3.0.0': # self.addTab(table,self.trUtf8(name)) #else: # self.addTab(table,self.tr(name)) self.addTab(table,str(name)) if fitparameterslist is not None: table.fillfromfit(fitparameterslist) #print "SHowing page ",name if QTVERSION < '4.0.0': self.showPage(self.views[name]) else: self.setCurrentWidget(self.views[name]) self.current=name def renameview(self,oldname=None,newname=None): error = 1 if newname is not None: if newname not in self.views.keys(): if oldname in self.views.keys(): parameterlist=self.tables[oldname].fillfitfromtable() self.setview(name=newname,fitparameterslist=parameterlist) self.removeview(oldname) error = 0 return error def fillfromfit(self,fitparameterslist,current=None): if current is None: current=self.current #for view in self.tables.keys(): # self.removeview(view) self.setview(fitparameterslist=fitparameterslist,name=current) def fillfitfromtable(self,*vars,**kw): if len(vars) > 0: name=vars[0] elif 'view' in kw: name=kw['view'] elif 'name' in kw: name=kw['name'] else: name=self.current if hasattr(self.tables[name],'fillfitfromtable'): return self.tables[name].fillfitfromtable() else: return None def removeview(self,*vars,**kw): error = 1 if len(vars) > 0: view=vars[0] elif 'view' in kw: view=kw['view'] elif 'name' in kw: view=kw['name'] else: return error if view == self.current: return error if view in self.views.keys(): self.tabs.remove(view) if QTVERSION < '4.0.0': self.removePage(self.tables[view]) self.removePage(self.views[view]) else: index = self.indexOf(self.tables[view]) self.removeTab(index) index = self.indexOf(self.views[view]) self.removeTab(index) del self.tables[view] del self.views[view] error =0 return error def removeallviews(self,keep='Fit'): for view in list(self.tables.keys()): if view != keep: self.removeview(view) def fillfrommca(self,mcaresult): #for view in self.tables.keys(): # self.removeview(view) self.removeallviews() region = 0 for result in mcaresult: #if result['chisq'] is not None: region=region+1 self.fillfromfit(result['paramlist'],current='Region '+\ "%d" % region) name='MCA' if name in self.tables: table=self.tables[name] else: self.tables[name]=McaTable.McaTable(self) table=self.tables[name] self.tabs.append(name) self.views[name]=table #self.addTab(table,self.trUtf8(name)) self.addTab(table,str(name)) table.sigMcaTableSignal.connect(self.__forward) table.fillfrommca(mcaresult) self.setview(name=name) return def __forward(self,ddict): self.sigMultiParametersSignal.emit(ddict) def gettext(self,**kw): if "name" in kw: name = kw["name"] else: name = self.current table = self.tables[name] lemon = ("#%x%x%x" % (255,250,205)).upper() if QTVERSION < '4.0.0': hb = table.horizontalHeader().paletteBackgroundColor() hcolor = ("#%x%x%x" % (hb.red(), hb.green(), hb.blue())).upper() else: if DEBUG: print("Actual color to ge got") hcolor = ("#%x%x%x" % (230,240,249)).upper() text="" text+=("") text+=( "") text+=( "") if QTVERSION < '4.0.0': ncols = table.numCols() else: ncols = table.columnCount() for l in range(ncols): text+=('") text+=("") if QTVERSION < '4.0.0': nrows = table.numRows() else: nrows = table.rowCount() for r in range(nrows): text+=("") if QTVERSION < '4.0.0': newtext = str(table.text(r,0)) else: item = table.item(r, 0) newtext = "" if item is not None: newtext = str(item.text()) if len(newtext): color = "white" b="" else: b="" color = lemon try: #MyQTable item has color defined cc = table.item(r,0).color cc = ("#%x%x%x" % (cc.red(),cc.green(),cc.blue())).upper() color = cc except: pass for c in range(ncols): if QTVERSION < '4.0.0': newtext = str(table.text(r,c)) else: item = table.item(r, c) newtext = "" if item is not None: newtext = str(item.text()) if len(newtext): finalcolor = color else: finalcolor = "white" if c<2: text+=('") else: text+=("") if QTVERSION < '4.0.0': newtext = str(table.text(r,0)) else: item = table.item(r, 0) newtext = "" if item is not None: newtext = str(item.text()) if len(newtext): text+=("") text+=("") #text+=( str(qt.QString("
")) text+=("\n") text+=("
' % hcolor) if QTVERSION < '4.0.0': text+=(str(table.horizontalHeader().label(l))) else: text+=(str(table.horizontalHeaderItem(l).text())) text+=("
%s' % (finalcolor,b)) else: text+=('%s' % (finalcolor,b)) text+=(newtext) if len(b): text+=("
") text+=("
") return text def getHTMLText(self, **kw): return self.gettext(**kw) if QTVERSION > '4.0.0': def getText(self, **kw): if "name" in kw: name = kw["name"] else: name = self.current table = self.tables[name] text="" if QTVERSION < '4.0.0': ncols = table.numCols() else: ncols = table.columnCount() for l in range(ncols): if QTVERSION < '4.0.0': text+=(str(table.horizontalHeader().label(l))) else: text+=(str(table.horizontalHeaderItem(l).text()))+"\t" text+=("\n") if QTVERSION < '4.0.0': nrows = table.numRows() else: nrows = table.rowCount() for r in range(nrows): if QTVERSION < '4.0.0': newtext = str(table.text(r,0)) else: item = table.item(r, 0) newtext = "" if item is not None: newtext = str(item.text())+"\t" for c in range(ncols): if QTVERSION < '4.0.0': newtext = str(table.text(r,c)) else: newtext = "" if c != 4: item = table.item(r, c) if item is not None: newtext = str(item.text()) else: item = table.cellWidget(r, c) if item is not None: newtext = str(item.currentText()) text+=(newtext)+"\t" text+=("\n") text+=("\n") return text def test(): a = qt.QApplication(sys.argv) a.lastWindowClosed.connect(a.quit) w = ParametersTab() w.show() from PyMca5.PyMca import specfilewrapper as specfile from PyMca5.PyMca import Specfit from PyMca5 import PyMcaDataDir import numpy sf=specfile.Specfile(os.path.join(PyMcaDataDir.PYMCA_DATA_DIR, "XRFSpectrum.mca")) scan=sf.select('2.1') mcadata=scan.mca(1) y=numpy.array(mcadata) #x=numpy.arange(len(y)) x=numpy.arange(len(y))*0.0502883-0.492773 fit=Specfit.Specfit() fit.setdata(x=x,y=y) fit.importfun(os.path.join(os.path.dirname(Specfit.__file__), "SpecfitFunctions.py")) fit.settheory('Hypermet') fit.configure(Yscaling=1., WeightFlag=1, PosFwhmFlag=1, HeightAreaFlag=1, FwhmPoints=16, PositionFlag=1, HypermetTails=1) fit.setbackground('Linear') if 1: mcaresult=fit.mcafit(x=x,xmin=x[300],xmax=x[1000]) w.fillfrommca(mcaresult) else: fit.estimate() fit.startfit() w.fillfromfit(fit.paramlist,current='Fit') w.removeview(view='Region 1') a.exec_() if __name__ == "__main__": bench=0 if bench: import pstats import profile profile.run('test()',"test") p=pstats.Stats("test") p.strip_dirs().sort_stats(-1).print_stats() else: test() PyMca5-5.2.2/PyMca5/PyMcaGui/math/fitting/QScriptOption.py0000644000276300001750000003051613136054446023237 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys from PyMca5.PyMcaGui import PyMcaQt as qt QTVERSION = qt.qVersion() from . import CheckField from . import EntryField from . import TextField #import RadioField from . import TabSheets TupleType=type(()) def uic_load_pixmap_RadioField(name): pix = qt.QPixmap() m = qt.QMimeSourceFactory.defaultFactory().data(name) if m: qt.QImageDrag.decode(m,pix) return pix class QScriptOption(TabSheets.TabSheets): def __init__(self,parent = None,name=None,modal=1,fl = 0, sheets=(),default=None,nohelp=1,nodefaults=1): TabSheets.TabSheets.__init__(self,parent,name,modal,fl, nohelp,nodefaults) if QTVERSION < '4.0.0': if name is not None:self.setCaption(str(name)) else: if name is not None:self.setWindowTitle(str(name)) self.sheets={} self.sheetslist=[] self.default=default self.output={} self.output.update(self.default) ntabs=self.tabWidget.count() #remove anything not having to do with my sheets for i in range(ntabs): if QTVERSION < '4.0.0': page = self.tabWidget.page(0) self.tabWidget.removePage(page) else: self.tabWidget.setCurrentIndex(0) self.tabWidget.removeTab(self.tabWidget.currentIndex()) for sheet in sheets: name=sheet['notetitle'] a=FieldSheet(fields=sheet['fields']) self.sheets[name]=a a.setdefaults(self.default) self.sheetslist.append(name) self.tabWidget.addTab(self.sheets[name],str(name)) if QTVERSION < '4.2.0': i = self.tabWidget.indexOf(self.sheets[name]) self.tabWidget.setCurrentIndex(i) else: self.tabWidget.setCurrentWidget(self.sheets[name]) #perform the binding to the buttons self.buttonOk.clicked.connect(self.myaccept) self.buttonCancel.clicked.connect(self.myreject) if not nodefaults: self.buttonDefaults.clicked.connect(self.defaults) if not nohelp: self.buttonHelp.clicked.connect(self.myhelp) def myaccept(self): self.output.update(self.default) for name,sheet in self.sheets.items(): self.output.update(sheet.get()) #avoid pathologicval None cases for key in list(self.output.keys()): if self.output[key] is None: if key in self.default: self.output[key]=self.default[key] self.accept() return def myreject(self): self.output={} self.output.update(self.default) self.reject() return def defaults(self): self.output={} self.output.update(self.default) def myhelp(self): print("Default - Sets back to the initial parameters") print("Cancel - Sets back to the initial parameters and quits") print("OK - Updates the parameters and quits") class FieldSheet(qt.QWidget): def __init__(self,parent = None,name=None,fl = 0,fields=()): qt.QWidget.__init__(self,parent) layout= qt.QVBoxLayout(self) layout.setContentsMargins(0, 0, 0, 0) layout.setSpacing(0) #self.fields = ([,,,]) self.fields=[] self.nbfield= 1 for field in fields: fieldtype=field[0] if len(field) == 3: key = field[1] else: key = None parameters=field[-1] if fieldtype == "TextField": myTextField = MyTextField(self,keys=key,params=parameters) self.fields.append(myTextField) layout.addWidget(myTextField) if fieldtype == "CheckField": myCheckField = MyCheckField(self,keys=key,params=parameters) self.fields.append(myCheckField) layout.addWidget(myCheckField) if fieldtype == "EntryField": myEntryField = MyEntryField(self,keys=key,params=parameters) self.fields.append(myEntryField) layout.addWidget(myEntryField) if fieldtype == "RadioField": radioField = RadioField(self,keys=key,params=parameters) self.fields.append(radioField) layout.addWidget(radioField) def get(self): result={} for field in self.fields: result.update(field.getvalue()) return result def setdefaults(self,dict): for field in self.fields: field.setdefaults(dict) return class MyTextField(TextField.TextField): def __init__(self,parent = None,name = None,fl = 0, keys=(), params = ()): TextField.TextField.__init__(self,parent,name,fl) self.TextLabel.setText(str(params)) def getvalue(self): pass return def setvalue(self): pass return def setdefaults(self,dict): pass return class MyEntryField(EntryField.EntryField): def __init__(self,parent = None,name = None,fl = 0, keys=(), params = ()): EntryField.EntryField.__init__(self,parent,name,fl) self.dict={} if type(keys) == TupleType: for key in keys: self.dict[key]=None else: self.dict[keys]=None self.TextLabel.setText(str(params)) self.Entry.textChanged[str].connect(self.setvalue) def getvalue(self): return self.dict def setvalue(self,value): for key in self.dict.keys(): self.dict[key]=str(value) return def setdefaults(self, ddict): for key in list(self.dict.keys()): if key in ddict: self.dict[key] = ddict[key] self.Entry.setText(str(ddict[key])) return class MyCheckField(CheckField.CheckField): def __init__(self,parent = None,name = None,fl = 0, keys=(), params = ()): CheckField.CheckField.__init__(self,parent,name,fl) self.dict={} if type(keys) == TupleType: for key in keys: self.dict[key]=None else: self.dict[keys]=None self.CheckBox.setText(str(params)) self.CheckBox.stateChanged[int].connect(self.setvalue) def getvalue(self): return self.dict def setvalue(self,value): if value: val=1 else: val=0 for key in self.dict.keys(): self.dict[key]=val return def setdefaults(self, ddict): for key in self.dict.keys(): if key in ddict: if int(ddict[key]): self.CheckBox.setChecked(1) self.dict[key]=1 else: self.CheckBox.setChecked(0) self.dict[key]=0 return class RadioField(qt.QWidget): def __init__(self,parent = None,name = None,fl = 0, keys=(), params = ()): if QTVERSION < '4.0.0': qt.QWidget.__init__(self,parent,name,fl) if name == None: self.setName("RadioField") #self.resize(166,607) self.setSizePolicy(qt.QSizePolicy(1,1,0,0,self.sizePolicy().hasHeightForWidth())) self.setCaption(str("RadioField")) RadioFieldLayout = qt.QHBoxLayout(self,11,6,"RadioFieldLayout") else: qt.QWidget.__init__(self,parent) RadioFieldLayout = qt.QHBoxLayout(self) RadioFieldLayout.setContentsMargins(11, 11, 11, 11) RadioFieldLayout.setSpacing(6) self.RadioFieldBox = qt.QButtonGroup(self) if QTVERSION < '4.0.0': self.RadioFieldBox.setSizePolicy(qt.QSizePolicy(1,1,0,0,self.RadioFieldBox.sizePolicy().hasHeightForWidth())) self.RadioFieldBox.setTitle(str("")) self.RadioFieldBox.setColumnLayout(0,qt.Qt.Vertical) self.RadioFieldBox.layout().setSpacing(6) self.RadioFieldBox.layout().setContentsMargins(11, 11, 11, 11) RadioFieldBoxLayout = qt.QVBoxLayout(self.RadioFieldBox.layout()) RadioFieldBoxLayout.setAlignment(qt.Qt.AlignTop) Layout1 = qt.QVBoxLayout(None,0,6,"Layout1") self.dict={} if type(keys) == TupleType: for key in keys: self.dict[key]=1 else: self.dict[keys]=1 self.RadioButton=[] i=0 for text in params: self.RadioButton.append(qt.QRadioButton(self.RadioFieldBox, "RadioButton"+"%d" % i)) self.RadioButton[-1].setSizePolicy(qt.QSizePolicy(1,1,0,0, self.RadioButton[-1].sizePolicy().hasHeightForWidth())) self.RadioButton[-1].setText(str(text)) Layout1.addWidget(self.RadioButton[-1]) i=i+1 RadioFieldBoxLayout.addLayout(Layout1) RadioFieldLayout.addWidget(self.RadioFieldBox) self.RadioButton[0].setChecked(1) self.RadioFieldBox.clicked[int].connect(self.setvalue) def getvalue(self): return self.dict def setvalue(self,value): if value: val=1 else: val=0 for key in self.dict.keys(): self.dict[key]=val return def setdefaults(self, ddict): for key in list(self.dict.keys()): if key in ddict: self.dict[key]=ddict[key] i=int(ddict[key]) self.RadioButton[i].setChecked(1) return def test(): a = qt.QApplication(sys.argv) app.lastWindowClosed.connect(app.quit) #w = FieldSheet(fields=(["TextField",'Simple Entry'], # ["EntryField",'entry','MyLabel'], # ["CheckField",'label','Check Label'], # ["RadioField",'radio',('Button1','hmmm','3')])) sheet1={'notetitle':"First Sheet", 'fields':(["TextField",'Simple Entry'], ["EntryField",'entry','MyLabel'], ["CheckField",'label','Check Label'])} sheet2={'notetitle':"Second Sheet", 'fields':(["TextField",'Simple Radio Buttons'], ["RadioField",'radio',('Button1','hmmm','3')])} w=QScriptOption(name='QScriptOptions',sheets=(sheet1,sheet2), default={'radio':1,'entry':'type here','label':1}) if QTVERSION < '4.0.0': a.setMainWidget(w) w.show() a.exec_loop() else: w.show() a.exec_() print(w.output) if __name__ == "__main__": test() PyMca5-5.2.2/PyMca5/PyMcaGui/math/fitting/McaTable.py0000644000276300001750000002056213136054446022131 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" from PyMca5.PyMcaGui import PyMcaQt as qt if hasattr(qt, "QString"): QString = qt.QString else: QString = str QTVERSION = qt.qVersion() QTable = qt.QTableWidget DEBUG=0 class McaTable(QTable): sigMcaTableSignal = qt.pyqtSignal(object) def __init__(self, *args,**kw): QTable.__init__(self, *args) self.setRowCount(1) self.setColumnCount(1) self.labels=['Parameter','Estimation','Fit Value','Sigma', 'Restrains','Min/Parame','Max/Factor/Delta/'] self.code_options=["FREE","POSITIVE","QUOTED", "FIXED","FACTOR","DELTA","SUM","IGNORE","ADD","SHOW"] i=0 if 'labels' in kw: self.labels=[] for label in kw['labels']: self.labels.append(label) else: self.labels=['Position','Fit Area','MCA Area','Sigma','Fwhm','Chisq', 'Region','XBegin','XEnd'] self.setColumnCount(len(self.labels)) for label in self.labels: item = self.horizontalHeaderItem(i) if item is None: item = qt.QTableWidgetItem(self.labels[i], qt.QTableWidgetItem.Type) self.setHorizontalHeaderItem(i,item) item.setText(self.labels[i]) self.resizeColumnToContents(i) i=i+1 self.regionlist=[] self.regiondict={} if DEBUG: print("MCATABLE click on vertical header items?") self.verticalHeader().sectionClicked[int].connect(self.__myslot) self.cellClicked[int, int].connect(self.__myslot) self.itemSelectionChanged[()].connect(self.__myslot) def fillfrommca(self,mcaresult,diag=1): line0=0 region=0 alreadyforced = 0 for result in mcaresult: region=region+1 if result['chisq'] is not None: chisq=QString("%6.2f" % (result['chisq'])) else: chisq=QString("Fit Error") if 1: xbegin=QString("%6g" % (result['xbegin'])) xend=QString("%6g" % (result['xend'])) fitlabel,fitpars, fitsigmas = self.__getfitpar(result) if QTVERSION < '4.0.0': qt.QHeader.setLabel(self.horizontalHeader(),1,"Fit "+fitlabel) else: item = self.horizontalHeaderItem(1) item.setText("Fit "+fitlabel) i = 0 for (pos,area,sigma,fwhm) in result['mca_areas']: line0=line0+1 if QTVERSION < '4.0.0': nlines=self.numRows() if (line0 > nlines): self.setNumRows(line0) else: nlines=self.rowCount() if (line0 > nlines): self.setRowCount(line0) line=line0-1 #pos=QString(str(pos)) #area=QString(str(area)) #sigma=QString(str(sigma)) #fwhm=QString(str(fwhm)) tregion=QString(str(region)) pos=QString("%6g" % (pos)) fitpar = QString("%6g" % (fitpars[i])) if fitlabel == 'Area': sigma = max(sigma,fitsigmas[i]) areastr=QString("%6g" % (area)) sigmastr=QString("%6.3g" % (sigma)) fwhm=QString("%6g" % (fwhm)) tregion=QString("%6g" % (region)) fields=[pos,fitpar,areastr,sigmastr,fwhm,chisq,tregion,xbegin,xend] col=0 recolor = 0 if fitlabel == 'Area': if diag: if abs(fitpars[i]-area) > (3.0 * sigma): color = qt.QColor(255,182,193) recolor = 1 for field in fields: key = self.item(line, col) if key is None: key = qt.QTableWidgetItem(field) self.setItem(line, col, key) else: item.setText(field) if recolor: #function introduced in Qt 4.2.0 if QTVERSION >= '4.2.0': item.setBackground(qt.QBrush(color)) item.setFlags(qt.Qt.ItemIsSelectable|qt.Qt.ItemIsEnabled) col=col+1 if recolor: if not alreadyforced: alreadyforced = 1 self.scrollToItem(self.item(line, 0)) i += 1 i = 0 for label in self.labels: self.resizeColumnToContents(i) i=i+1 ndict = {} ndict['event'] = 'McaTableFilled' self.sigMcaTableSignal.emit(ndict) def __getfitpar(self,result): if result['fitconfig']['fittheory'].find("Area") != -1: fitlabel='Area' elif result['fitconfig']['fittheory'].find("Hypermet") != -1: fitlabel='Area' else: fitlabel='Height' values = [] sigmavalues = [] for param in result['paramlist']: if param['name'].find('ST_Area')!= -1: # value and sigmavalue known via fitlabel values[-1] = value * (1.0 + param['fitresult']) #just an approximation sigmavalues[-1] = sigmavalue * (1.0 + param['fitresult']) elif param['name'].find('LT_Area')!= -1: pass elif param['name'].find(fitlabel)!= -1: value = param['fitresult'] sigmavalue = param['sigma'] values.append(value) sigmavalues.append(sigmavalue) return fitlabel, values, sigmavalues def __myslot(self, *var): ddict={} if len(var) == 0: #selection changed event #get the current selection ddict['event'] = 'McaTableClicked' row = self.currentRow() else: #Header click ddict['event'] = 'McaTableRowHeaderClicked' row = var[0] ccol = self.currentColumn() ddict['row' ] = row ddict['col'] = ccol ddict['labelslist'] = self.labels if row >= 0: col = 0 for label in self.labels: text = str(self.item(row, col).text()) try: ddict[label] = float(text) except: ddict[label] = text col +=1 self.sigMcaTableSignal.emit(ddict) PyMca5-5.2.2/PyMca5/PyMcaGui/math/fitting/TabSheets.py0000644000276300001750000000654613136054446022351 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys from PyMca5.PyMcaGui import PyMcaQt as qt QTVERSION = qt.qVersion() class TabSheets(qt.QDialog): def __init__(self,parent = None,name = None,modal = 0,fl = 0, nohelp =1,nodefaults=1): qt.QDialog.__init__(self,parent) self.setWindowTitle(str("TabSheets")) self.setModal(modal) TabSheetsLayout = qt.QVBoxLayout(self) TabSheetsLayout.setContentsMargins(11, 11, 11, 11) TabSheetsLayout.setSpacing(6) self.tabWidget = qt.QTabWidget(self) self.Widget8 = qt.QWidget(self.tabWidget) self.Widget9 = qt.QWidget(self.tabWidget) self.tabWidget.addTab(self.Widget8,str("Tab")) self.tabWidget.addTab(self.Widget9,str("Tab")) TabSheetsLayout.addWidget(self.tabWidget) Layout2 = qt.QHBoxLayout(None) Layout2.setContentsMargins(0, 0, 0, 0) Layout2.setSpacing(6) if not nohelp: self.buttonHelp = qt.QPushButton(self) self.buttonHelp.setText(str("Help")) Layout2.addWidget(self.buttonHelp) if not nodefaults: self.buttonDefaults = qt.QPushButton(self) self.buttonDefaults.setText(str("Defaults")) Layout2.addWidget(self.buttonDefaults) spacer = qt.QSpacerItem(20,20, qt.QSizePolicy.Expanding, qt.QSizePolicy.Minimum) Layout2.addItem(spacer) self.buttonOk = qt.QPushButton(self) self.buttonOk.setText(str("OK")) Layout2.addWidget(self.buttonOk) self.buttonCancel = qt.QPushButton(self) self.buttonCancel.setText(str("Cancel")) Layout2.addWidget(self.buttonCancel) TabSheetsLayout.addLayout(Layout2) self.buttonOk.clicked.connect(self.accept) self.buttonCancel.clicked.connect(self.reject) PyMca5-5.2.2/PyMca5/PyMcaGui/math/fitting/Parameters.py0000644000276300001750000011102413136054446022556 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys from PyMca5.PyMcaGui import PyMcaQt as qt if not hasattr(qt, "QString"): QString = str else: QString = qt.QString if not hasattr(qt, "QStringList"): QStringList = list else: QStringList = qt.QStringList QTVERSION = qt.qVersion() QTable = qt.QTableWidget class QComboTableItem(qt.QComboBox): sigCellChanged = qt.pyqtSignal(int, int) def __init__(self, parent=None, row=None, col=None): self._row = row self._col = col qt.QComboBox.__init__(self, parent) self.activated[int].connect(self._cellChanged) def _cellChanged(self, idx): if DEBUG: print("cell changed", idx) self.sigCellChanged.emit(self._row, self._col) class QCheckBoxItem(qt.QCheckBox): sigCellChanged = qt.pyqtSignal(int, int) def __init__(self, parent=None, row=None, col=None): self._row = row self._col = col qt.QCheckBox.__init__(self, parent) self.clicked.connect(self._cellChanged) def _cellChanged(self): self.sigCellChanged.emit(self._row, self._col) DEBUG = 0 class Parameters(QTable): def __init__(self, parent=None, allowBackgroundAdd=False, **kw): QTable.__init__(self, parent) self._allowBackgroundAdd = allowBackgroundAdd self.setRowCount(1) self.setColumnCount(1) self.labels = ['Parameter', 'Estimation', 'Fit Value', 'Sigma', 'Constraints', 'Min/Parame', 'Max/Factor/Delta/'] if DEBUG: self.code_options = ["FREE", "POSITIVE", "QUOTED", "FIXED", "FACTOR", "DELTA", "SUM", "IGNORE", "ADD", "SHOW"] else: self.code_options = ["FREE", "POSITIVE", "QUOTED", "FIXED", "FACTOR", "DELTA", "SUM", "IGNORE", "ADD"] self.__configuring = False self.setColumnCount(len(self.labels)) i = 0 if 'labels' in kw: for label in kw['labels']: item = self.horizontalHeaderItem(i) if item is None: item = qt.QTableWidgetItem(self.labels[i], qt.QTableWidgetItem.Type) self.setHorizontalHeaderItem(i, item) item.setText(self.labels[i]) i += 1 else: for label in self.labels: item = self.horizontalHeaderItem(i) if item is None: item = qt.QTableWidgetItem(self.labels[i], qt.QTableWidgetItem.Type) self.setHorizontalHeaderItem(i, item) item.setText(self.labels[i]) i += 1 self.resizeColumnToContents(self.labels.index('Parameter')) self.resizeColumnToContents(1) self.resizeColumnToContents(3) self.resizeColumnToContents(len(self.labels) - 1) self.resizeColumnToContents(len(self.labels) - 2) self.parameters = {} self.paramlist = [] if 'paramlist' in kw: self.paramlist = kw['paramlist'] self.build() self.cellChanged[int,int].connect(self.myslot) def build(self): line = 1 oldlist = list(self.paramlist) self.paramlist = [] for param in oldlist: self.newparameterline(param, line) line += 1 def newparameterline(self, param, line): #get current number of lines nlines = self.rowCount() self.__configuring = True if (line > nlines): self.setRowCount(line) linew = line - 1 self.parameters[param] = {'line': linew, 'fields': ['name', 'estimation', 'fitresult', 'sigma', 'code', 'val1', 'val2'], 'estimation': QString('0'), 'fitresult': QString(), 'sigma': QString(), 'code': QString('FREE'), 'val1': QString(), 'val2': QString(), 'cons1': 0, 'cons2': 0, 'vmin': QString('0'), 'vmax': QString('1'), 'relatedto': QString(), 'factor': QString('1.0'), 'delta': QString('0.0'), 'sum': QString('0.0'), 'group': QString(), 'name': QString(param), 'xmin': None, 'xmax': None} self.paramlist.append(param) #Aleixandre request:self.setText(linew,0,QString(param)) self.setReadWrite(param, 'estimation') self.setReadOnly(param, ['name', 'fitresult', 'sigma', 'val1', 'val2']) #the code a = QStringList() for option in self.code_options: a.append(option) cellWidget = self.cellWidget(linew, self.parameters[param]['fields'].index('code')) if cellWidget is None: col = self.parameters[param]['fields'].index('code') cellWidget = QComboTableItem(self, row=linew, col=col) cellWidget.addItems(a) self.setCellWidget(linew, col, cellWidget) cellWidget.sigCellChanged[int, int].connect(self.myslot) self.parameters[param]['code_item'] = cellWidget self.parameters[param]['relatedto_item'] = None self.__configuring = False def fillTableFromFit(self, fitparameterslist): return self.fillfromfit(fitparameterslist) def fillfromfit(self, fitparameterslist): self.setRowCount(len(fitparameterslist)) self.parameters = {} self.paramlist = [] line = 1 for param in fitparameterslist: self.newparameterline(param['name'], line) line += 1 for param in fitparameterslist: name = param['name'] code = str(param['code']) if code not in self.code_options: code = self.code_options[int(code)] val1 = param['cons1'] val2 = param['cons2'] estimation = param['estimation'] group = param['group'] sigma = param['sigma'] fitresult = param['fitresult'] if 'xmin' in param: xmin = param['xmin'] else: xmin = None if 'xmax' in param: xmax = param['xmax'] else: xmax = None self.configure(name=name, code=code, val1=val1, val2=val2, estimation=estimation, fitresult=fitresult, sigma=sigma, group=group, xmin=xmin, xmax=xmax) def fillFitFromTable(self): return self.fillfitfromtable() def getConfiguration(self): ddict = {} ddict['parameters'] = self.fillFitFromTable() return ddict def setConfiguration(self, ddict): self.fillTableFromFit(ddict['parameters']) def fillfitfromtable(self): fitparameterslist = [] for param in self.paramlist: fitparam = {} name = param estimation, [code, cons1, cons2] = self.cget(name) buf = str(self.parameters[param]['fitresult']) xmin = self.parameters[param]['xmin'] xmax = self.parameters[param]['xmax'] if len(buf): fitresult = float(buf) else: fitresult = 0.0 buf = str(self.parameters[param]['sigma']) if len(buf): sigma = float(buf) else: sigma = 0.0 buf = str(self.parameters[param]['group']) if len(buf): group = float(buf) else: group = 0 fitparam['name'] = name fitparam['estimation'] = estimation fitparam['fitresult'] = fitresult fitparam['sigma'] = sigma fitparam['group'] = group fitparam['code'] = code fitparam['cons1'] = cons1 fitparam['cons2'] = cons2 fitparam['xmin'] = xmin fitparam['xmax'] = xmax fitparameterslist.append(fitparam) return fitparameterslist def myslot(self, row, col): if DEBUG: print("Passing by myslot(%d, %d)" % (row, col)) print("current(%d, %d)" % (self.currentRow(), self.currentColumn())) if (col != 4) and (col != -1): if row != self.currentRow(): return if col != self.currentColumn(): return if self.__configuring: return param = self.paramlist[row] field = self.parameters[param]['fields'][col] oldvalue = QString(self.parameters[param][field]) if col != 4: item = self.item(row, col) if item is not None: newvalue = item.text() else: newvalue = QString() else: #this is the combobox widget = self.cellWidget(row, col) newvalue = widget.currentText() if DEBUG: print("old value = ", oldvalue) print("new value = ", newvalue) if self.validate(param, field, oldvalue, newvalue): if DEBUG: print("Change is valid") exec("self.configure(name=param,%s=newvalue)" % field) else: if DEBUG: print("Change is not valid") print("oldvalue ", oldvalue) if field == 'code': index = self.code_options.index(oldvalue) self.__configuring = True try: self.parameters[param]['code_item'].setCurrentIndex(index) finally: self.__configuring = False else: exec("self.configure(name=param,%s=oldvalue)" % field) def validate(self, param, field, oldvalue, newvalue): if field == 'code': pass return self.setcodevalue(param, field, oldvalue, newvalue) if ((str(self.parameters[param]['code']) == 'DELTA') or\ (str(self.parameters[param]['code']) == 'FACTOR') or\ (str(self.parameters[param]['code']) == 'SUM')) and \ (field == 'val1'): best, candidates = self.getrelatedcandidates(param) if str(newvalue) in candidates: return 1 else: return 0 else: try: float(str(newvalue)) except: return 0 return 1 def setcodevalue(self, workparam, field, oldvalue, newvalue): if str(newvalue) == 'FREE': self.configure(name=workparam, code=newvalue) #, #cons1=0, #cons2=0, #val1='', #val2='') if str(oldvalue) == 'IGNORE': self.freerestofgroup(workparam) return 1 elif str(newvalue) == 'POSITIVE': self.configure(name=workparam, code=newvalue) #, #cons1=0, #cons2=0, #val1='', #val2='') if str(oldvalue) == 'IGNORE': self.freerestofgroup(workparam) return 1 elif str(newvalue) == 'QUOTED': #I have to get the limits self.configure(name=workparam, code=newvalue) #, #cons1=self.parameters[workparam]['vmin'], #cons2=self.parameters[workparam]['vmax']) #, #val1=self.parameters[workparam]['vmin'], #val2=self.parameters[workparam]['vmax']) if str(oldvalue) == 'IGNORE': self.freerestofgroup(workparam) return 1 elif str(newvalue) == 'FIXED': self.configure(name=workparam, code=newvalue) #, #cons1=0, #cons2=0, #val1='', #val2='') if str(oldvalue) == 'IGNORE': self.freerestofgroup(workparam) return 1 elif str(newvalue) == 'FACTOR': #I should check here that some parameter is set best, candidates = self.getrelatedcandidates(workparam) if len(candidates) == 0: return 0 self.configure(name=workparam, code=newvalue, relatedto=best) #, #cons1=0, #cons2=0, #val1='', #val2='') if str(oldvalue) == 'IGNORE': self.freerestofgroup(workparam) return 1 elif str(newvalue) == 'DELTA': #I should check here that some parameter is set best, candidates = self.getrelatedcandidates(workparam) if len(candidates) == 0: return 0 self.configure(name=workparam, code=newvalue, relatedto=best) #, #cons1=0, #cons2=0, #val1='', #val2='') if str(oldvalue) == 'IGNORE': self.freerestofgroup(workparam) return 1 elif str(newvalue) == 'SUM': #I should check here that some parameter is set best, candidates = self.getrelatedcandidates(workparam) if len(candidates) == 0: return 0 self.configure(name=workparam, code=newvalue, relatedto=best) #, #cons1=0, #cons2=0, #val1='', #val2='') if str(oldvalue) == 'IGNORE': self.freerestofgroup(workparam) return 1 elif str(newvalue) == 'IGNORE': # I should check if the group can be ignored # for the time being I just fix all of them to ignore group = int(float(str(self.parameters[workparam]['group']))) candidates = [] for param in self.parameters.keys(): if group == int(float(str(self.parameters[param]['group']))): candidates.append(param) #print candidates #I should check here if there is any relation to them for param in candidates: self.configure(name=param, code=newvalue) #, #cons1=0, #cons2=0, #val1='', #val2='') return 1 elif str(newvalue) == 'ADD': group = int(float(str(self.parameters[workparam]['group']))) if group == 0: if not self._allowBackgroundAdd: #One cannot add a background group return 0 i = 0 for param in self.paramlist: if i <= int(float(str(self.parameters[param]['group']))): i += 1 if (group == 0) and (i == 1): i += 1 self.addgroup(i, group) return 0 elif str(newvalue) == 'SHOW': print(self.cget(workparam)) return 0 else: print("None of the others!") def addgroup(self, newg, gtype): if DEBUG: print("addgroup called") print("newg = ", newg, "gtype = ", gtype) line = 0 newparam = [] oldparamlist = list(self.paramlist) for param in oldparamlist: line += 1 paramgroup = int(float(str(self.parameters[param]['group']))) if paramgroup == gtype: #Try to construct an appropriate name #I have to remove any possible trailing number #and append the group index xmin = self.parameters[param]['xmin'] xmax = self.parameters[param]['xmax'] j = len(param) - 1 while ('0' < param[j]) & (param[j] < '9'): j -= 1 if j == -1: break if j >= 0: newparam.append(param[0:j + 1] + "%d" % newg) else: newparam.append("%d" % newg) for param in newparam: line += 1 self.newparameterline(param, line) for param in newparam: self.configure(name=param, group=newg, xmin=xmin, xmax=xmax) def freerestofgroup(self, workparam): if workparam in self.parameters.keys(): group = int(float(str(self.parameters[workparam]['group']))) for param in self.parameters.keys(): if param != workparam: if group == int(float(str(self.parameters[param]['group']))): self.configure(name=param, code='FREE', cons1=0, cons2=0, val1='', val2='') def getrelatedcandidates(self, workparam): best = None candidates = [] for param in self.paramlist: if param != workparam: if str(self.parameters[param]['code']) != 'IGNORE' and \ str(self.parameters[param]['code']) != 'FACTOR' and \ str(self.parameters[param]['code']) != 'DELTA' and \ str(self.parameters[param]['code']) != 'SUM': candidates.append(param) #Now get the best from the list if candidates == None: return best, candidates #take the previous one if possible if str(self.parameters[workparam]['relatedto']) in candidates: best = str(self.parameters[workparam]['relatedto']) return best, candidates #take the first with similar name for param in candidates: j = len(param) - 1 while ('0' <= param[j]) & (param[j] < '9'): j -= 1 if j == -1: break if j >= 0: try: pos = workparam.index(param[0:j + 1]) if pos == 0: best = param return best, candidates except: pass #take the first return candidates[0], candidates def setReadOnly(self, parameter, fields): if DEBUG: print("parameter ", parameter) print("fields = ", fields) print("asked to be read only") if QTVERSION < '4.0.0': self.setfield(parameter, fields, qttable.QTableItem.Never) else: editflags = qt.Qt.ItemIsSelectable | qt.Qt.ItemIsEnabled self.setfield(parameter, fields, editflags) def setReadWrite(self, parameter, fields): if DEBUG: print("parameter ", parameter) print("fields = ", fields) print("asked to be read write") if QTVERSION < '4.0.0': self.setfield(parameter, fields, qttable.QTableItem.OnTyping) else: editflags = qt.Qt.ItemIsSelectable |\ qt.Qt.ItemIsEnabled |\ qt.Qt.ItemIsEditable self.setfield(parameter, fields, editflags) def setfield(self, parameter, fields, EditType): if DEBUG: print("setfield. parameter =", parameter) print("fields = ", fields) if isinstance(parameter, list) or \ isinstance(parameter, tuple): paramlist = parameter else: paramlist = [parameter] if isinstance(fields, list) or \ isinstance(fields, tuple): fieldlist = fields else: fieldlist = [fields] _oldvalue = self.__configuring self.__configuring = True for param in paramlist: if param in self.paramlist: try: row = self.paramlist.index(param) except ValueError: row = -1 if row >= 0: for field in fieldlist: if field in self.parameters[param]['fields']: col = self.parameters[param]['fields'].index(field) if field != 'code': key = field + "_item" if QTVERSION < '4.0.0': self.parameters[param][key] = qttable.QTableItem(self, EditType, self.parameters[param][field]) self.setItem(row, col, self.parameters[param][key]) else: item = self.item(row, col) if item is None: item = qt.QTableWidgetItem() item.setText(self.parameters[param][field]) self.setItem(row, col, item) else: item.setText(self.parameters[param][field]) self.parameters[param][key] = item item.setFlags(EditType) self.__configuring = _oldvalue def configure(self, *vars, **kw): if DEBUG: print("configure called with **kw = ", kw) name = None error = 0 if 'name' in kw: name = kw['name'] else: return 1 if name in self.parameters: for key in kw.keys(): if key is not 'name': if key in self.parameters[name]['fields']: oldvalue = self.parameters[name][key] if key is 'code': newvalue = QString(str(kw[key])) else: if len(str(kw[key])): keyDone = False if key == "val1": if str(self.parameters[name]['code']) in\ ['DELTA', 'FACTOR', 'SUM']: newvalue = str(kw[key]) keyDone = True if not keyDone: newvalue = float(str(kw[key])) if key is 'sigma': newvalue = "%6.3g" % newvalue else: newvalue = "%8g" % newvalue else: newvalue = "" newvalue = QString(newvalue) #avoid endless recursivity if key is not 'code': if self.validate(name, key, oldvalue, newvalue): self.parameters[name][key] = newvalue else: self.parameters[name][key] = oldvalue error = 1 elif key in self.parameters[name].keys(): newvalue = QString(str(kw[key])) self.parameters[name][key] = newvalue if DEBUG: print("error = ", error) if 'code' in kw.keys(): newvalue = QString(kw['code']) self.parameters[name]['code'] = newvalue if QTVERSION < '4.0.0': self.parameters[name]['code_item'].setCurrentItem(newvalue) else: for i in range(self.parameters[name]['code_item'].count()): if str(newvalue) == str(self.parameters[name]['code_item'].itemText(i)): self.parameters[name]['code_item'].setCurrentIndex(i) break if str(self.parameters[name]['code']) == 'QUOTED': if 'val1' in kw.keys(): self.parameters[name]['vmin'] = self.parameters[name]['val1'] if 'val2' in kw.keys(): self.parameters[name]['vmax'] = self.parameters[name]['val2'] if str(self.parameters[name]['code']) == 'DELTA': if 'val1'in kw.keys(): if kw['val1'] in self.paramlist: self.parameters[name]['relatedto'] = kw['val1'] else: self.parameters[name]['relatedto'] =\ self.paramlist[int(float(str(kw['val1'])))] if 'val2'in kw.keys(): self.parameters[name]['delta'] = self.parameters[name]['val2'] if str(self.parameters[name]['code']) == 'SUM': if 'val1' in kw.keys(): if kw['val1'] in self.paramlist: self.parameters[name]['relatedto'] = kw['val1'] else: self.parameters[name]['relatedto'] =\ self.paramlist[int(float(str(kw['val1'])))] if 'val2' in kw.keys(): self.parameters[name]['sum'] = self.parameters[name]['val2'] if str(self.parameters[name]['code']) == 'FACTOR': if 'val1'in kw.keys(): if kw['val1'] in self.paramlist: self.parameters[name]['relatedto'] = kw['val1'] else: self.parameters[name]['relatedto'] =\ self.paramlist[int(float(str(kw['val1'])))] if 'val2'in kw.keys(): self.parameters[name]['factor'] = self.parameters[name]['val2'] else: #Update the proper parameter in case of change in val1 and val2 if str(self.parameters[name]['code']) == 'QUOTED': self.parameters[name]['vmin'] = self.parameters[name]['val1'] self.parameters[name]['vmax'] = self.parameters[name]['val2'] #print "vmin =",str(self.parameters[name]['vmin']) if str(self.parameters[name]['code']) == 'DELTA': self.parameters[name]['relatedto'] = self.parameters[name]['val1'] self.parameters[name]['delta'] = self.parameters[name]['val2'] if str(self.parameters[name]['code']) == 'SUM': self.parameters[name]['relatedto'] = self.parameters[name]['val1'] self.parameters[name]['sum'] = self.parameters[name]['val2'] if str(self.parameters[name]['code']) == 'FACTOR': self.parameters[name]['relatedto'] = self.parameters[name]['val1'] self.parameters[name]['factor'] = self.parameters[name]['val2'] #Update val1 and val2 according to the parameters #and Update the table if str(self.parameters[name]['code']) == 'FREE' or \ str(self.parameters[name]['code']) == 'POSITIVE' or \ str(self.parameters[name]['code']) == 'IGNORE' or\ str(self.parameters[name]['code']) == 'FIXED': self.parameters[name]['val1'] = QString() self.parameters[name]['val2'] = QString() self.parameters[name]['cons1'] = 0 self.parameters[name]['cons2'] = 0 self.setReadWrite(name, 'estimation') self.setReadOnly(name, ['fitresult', 'sigma', 'val1', 'val2']) elif str(self.parameters[name]['code']) == 'QUOTED': self.parameters[name]['val1'] = self.parameters[name]['vmin'] self.parameters[name]['val2'] = self.parameters[name]['vmax'] try: self.parameters[name]['cons1'] =\ float(str(self.parameters[name]['val1'])) except: self.parameters[name]['cons1'] = 0 try: self.parameters[name]['cons2'] =\ float(str(self.parameters[name]['val2'])) except: self.parameters[name]['cons2'] = 0 if self.parameters[name]['cons1'] > self.parameters[name]['cons2']: buf = self.parameters[name]['cons1'] self.parameters[name]['cons1'] = self.parameters[name]['cons2'] self.parameters[name]['cons2'] = buf self.setReadWrite(name, ['estimation', 'val1', 'val2']) self.setReadOnly(name, ['fitresult', 'sigma']) elif str(self.parameters[name]['code']) == 'FACTOR': self.parameters[name]['val1'] = self.parameters[name]['relatedto'] self.parameters[name]['val2'] = self.parameters[name]['factor'] self.parameters[name]['cons1'] =\ self.paramlist.index(str(self.parameters[name]['val1'])) try: self.parameters[name]['cons2'] =\ float(str(self.parameters[name]['val2'])) except: error = 1 print("Forcing factor to 1") self.parameters[name]['cons2'] = 1.0 self.setReadWrite(name, ['estimation', 'val1', 'val2']) self.setReadOnly(name, ['fitresult', 'sigma']) elif str(self.parameters[name]['code']) == 'DELTA': self.parameters[name]['val1'] = self.parameters[name]['relatedto'] self.parameters[name]['val2'] = self.parameters[name]['delta'] self.parameters[name]['cons1'] =\ self.paramlist.index(str(self.parameters[name]['val1'])) try: self.parameters[name]['cons2'] =\ float(str(self.parameters[name]['val2'])) except: error = 1 print("Forcing delta to 0") self.parameters[name]['cons2'] = 0.0 self.setReadWrite(name, ['estimation', 'val1', 'val2']) self.setReadOnly(name, ['fitresult', 'sigma']) elif str(self.parameters[name]['code']) == 'SUM': self.parameters[name]['val1'] = self.parameters[name]['relatedto'] self.parameters[name]['val2'] = self.parameters[name]['sum'] self.parameters[name]['cons1'] =\ self.paramlist.index(str(self.parameters[name]['val1'])) try: self.parameters[name]['cons2'] =\ float(str(self.parameters[name]['val2'])) except: error = 1 print("Forcing sum to 0") self.parameters[name]['cons2'] = 0.0 self.setReadWrite(name, ['estimation', 'val1', 'val2']) self.setReadOnly(name, ['fitresult', 'sigma']) else: self.setReadWrite(name, ['estimation', 'val1', 'val2']) self.setReadOnly(name, ['fitresult', 'sigma']) return error def cget(self, param): """ Return tuple estimation,constraints where estimation is the value in the estimate field and constraints are the relevant constraints according to the active code """ estimation = None constraints = None if param in self.parameters.keys(): buf = str(self.parameters[param]['estimation']) if len(buf): estimation = float(buf) else: estimation = 0 self.parameters[param]['code_item'] if str(self.parameters[param]['code']) in self.code_options: code = self.code_options.index(str(self.parameters[param]['code'])) else: code = str(self.parameters[param]['code']) cons1 = self.parameters[param]['cons1'] cons2 = self.parameters[param]['cons2'] constraints = [code, cons1, cons2] return estimation, constraints def main(args): from PyMca5.PyMca import specfile from PyMca5.PyMca import specfilewrapper as specfile from PyMca5.PyMca import Specfit from PyMca5 import PyMcaDataDir import numpy import os app = qt.QApplication(args) tab = Parameters(labels=['Parameter', 'Estimation', 'Fit Value', 'Sigma', 'Restrains', 'Min/Parame', 'Max/Factor/Delta/'], paramlist=['Height', 'Position', 'FWHM']) tab.showGrid() tab.configure(name='Height', estimation='1234', group=0) tab.configure(name='Position', code='FIXED', group=1) tab.configure(name='FWHM', group=1) sf=specfile.Specfile(os.path.join(PyMcaDataDir.PYMCA_DATA_DIR, "XRFSpectrum.mca")) scan=sf.select('2.1') mcadata=scan.mca(1) y=numpy.array(mcadata) #x=numpy.arange(len(y)) x=numpy.arange(len(y))*0.0502883-0.492773 fit=Specfit.Specfit() fit.setdata(x=x,y=y) fit.importfun(os.path.join(os.path.dirname(Specfit.__file__), "SpecfitFunctions.py")) fit.settheory('Hypermet') fit.configure(Yscaling=1., WeightFlag=1, PosFwhmFlag=1, HeightAreaFlag=1, FwhmPoints=16, PositionFlag=1, HypermetTails=1) fit.setbackground('Linear') fit.estimate() fit.startfit() tab.fillfromfit(fit.paramlist) tab.show() app.lastWindowClosed.connect(app.quit) app.exec_() if __name__ == "__main__": main(sys.argv) PyMca5-5.2.2/PyMca5/PyMcaGui/math/fitting/CheckField.py0000644000276300001750000000401313136054446022433 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" from PyMca5.PyMcaGui import PyMcaQt as qt class CheckField(qt.QWidget): def __init__(self,parent = None,name = None,fl = 0): qt.QWidget.__init__(self,parent) self.resize(321,45) CheckFieldLayout = qt.QHBoxLayout(self) CheckFieldLayout.setContentsMargins(11, 11, 11, 11) CheckFieldLayout.setSpacing(6) self.CheckBox = qt.QCheckBox(self) self.CheckBox.setText("CheckBox") CheckFieldLayout.addWidget(self.CheckBox) PyMca5-5.2.2/PyMca5/PyMcaGui/math/fitting/SpecfitGui.py0000644000276300001750000005373013136054446022526 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2016 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os import traceback from PyMca5.PyMcaCore import EventHandler from PyMca5.PyMcaMath.fitting import Specfit from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaGui import PyMcaFileDialogs QTVERSION = qt.qVersion() from . import FitConfigGui from . import MultiParameters from . import FitActionsGui from . import FitStatusGui from . import QScriptOption DEBUG = 0 class SpecfitGui(qt.QWidget): sigSpecfitGuiSignal = qt.pyqtSignal(object) def __init__(self,parent = None,name = None,fl = 0, specfit = None, config = 0, status = 0, buttons = 0, eh = None): if name == None: name = "SpecfitGui" qt.QWidget.__init__(self, parent) self.setWindowTitle(name) layout= qt.QVBoxLayout(self) #layout.setAutoAdd(1) if eh == None: self.eh = EventHandler.EventHandler() else: self.eh = eh if specfit is None: self.specfit = Specfit.Specfit(eh=self.eh) else: self.specfit = specfit #initialize the default fitting functions in case #none is present if not len(self.specfit.theorylist): funsFile = "SpecfitFunctions.py" if not os.path.exists(funsFile): funsFile = os.path.join(os.path.dirname(Specfit.__file__),\ funsFile) self.specfit.importfun(funsFile) #copy specfit configure method for direct access self.configure=self.specfit.configure self.fitconfig=self.specfit.fitconfig self.setdata=self.specfit.setdata self.guiconfig=None if config: self.guiconfig = FitConfigGui.FitConfigGui(self) self.guiconfig.MCACheckBox.stateChanged[int].connect(self.mcaevent) self.guiconfig.WeightCheckBox.stateChanged[int].connect(self.weightevent) self.guiconfig.AutoFWHMCheckBox.stateChanged[int].connect(self.autofwhmevent) self.guiconfig.AutoScalingCheckBox.stateChanged[int].connect(self.autoscaleevent) self.guiconfig.ConfigureButton.clicked.connect(self.__configureGuiSlot) self.guiconfig.PrintPushButton.clicked.connect(self.printps) self.guiconfig.BkgComBox.activated[str].connect(self.bkgevent) self.guiconfig.FunComBox.activated[str].connect(self.funevent) layout.addWidget(self.guiconfig) self.guiparameters = MultiParameters.ParametersTab(self) layout.addWidget(self.guiparameters) self.guiparameters.sigMultiParametersSignal.connect(self.__forward) if config: for key in self.specfit.bkgdict.keys(): self.guiconfig.BkgComBox.addItem(str(key)) for key in self.specfit.theorylist: self.guiconfig.FunComBox.addItem(str(key)) configuration={} if specfit is not None: configuration = specfit.configure() if configuration['fittheory'] is None: self.guiconfig.FunComBox.setCurrentIndex(1) self.funevent(self.specfit.theorylist[0]) else: self.funevent(configuration['fittheory']) if configuration['fitbkg'] is None: self.guiconfig.BkgComBox.setCurrentIndex(1) self.bkgevent(list(self.specfit.bkgdict.keys())[0]) else: self.bkgevent(configuration['fitbkg']) else: self.guiconfig.BkgComBox.setCurrentIndex(1) self.guiconfig.FunComBox.setCurrentIndex(1) self.funevent(self.specfit.theorylist[0]) self.bkgevent(list(self.specfit.bkgdict.keys())[0]) configuration.update(self.configure()) if configuration['McaMode']: self.guiconfig.MCACheckBox.setChecked(1) else: self.guiconfig.MCACheckBox.setChecked(0) if configuration['WeightFlag']: self.guiconfig.WeightCheckBox.setChecked(1) else: self.guiconfig.WeightCheckBox.setChecked(0) if configuration['AutoFwhm']: self.guiconfig.AutoFWHMCheckBox.setChecked(1) else: self.guiconfig.AutoFWHMCheckBox.setChecked(0) if configuration['AutoScaling']: self.guiconfig.AutoScalingCheckBox.setChecked(1) else: self.guiconfig.AutoScalingCheckBox.setChecked(0) if status: self.guistatus = FitStatusGui.FitStatusGui(self) self.eh.register('FitStatusChanged',self.fitstatus) layout.addWidget(self.guistatus) if buttons: self.guibuttons = FitActionsGui.FitActionsGui(self) self.guibuttons.EstimateButton.clicked.connect(self.estimate) self.guibuttons.StartfitButton.clicked.connect(self.startfit) self.guibuttons.DismissButton.clicked.connect(self.dismiss) layout.addWidget(self.guibuttons) def updateGui(self,configuration=None): self.__configureGui(configuration) def _emitSignal(self, ddict): self.sigSpecfitGuiSignal.emit(ddict) def __configureGuiSlot(self): self.__configureGui() def __configureGui(self, newconfiguration=None): if self.guiconfig is not None: #get current dictionary #print "before ",self.specfit.fitconfig['fitbkg'] configuration=self.configure() #get new dictionary if newconfiguration is None: newconfiguration=self.configureGui(configuration) #update configuration configuration.update(self.configure(**newconfiguration)) #print "after =",self.specfit.fitconfig['fitbkg'] #update Gui #current function #self.funevent(self.specfit.theorylist[0]) try: i=1+self.specfit.theorylist.index(self.specfit.fitconfig['fittheory']) self.guiconfig.FunComBox.setCurrentIndex(i) self.funevent(self.specfit.fitconfig['fittheory']) except: print("Function not in list %s" %\ self.specfit.fitconfig['fittheory']) self.funevent(self.specfit.theorylist[0]) #current background try: #the list conversion is needed in python 3. i=1+list(self.specfit.bkgdict.keys()).index(self.specfit.fitconfig['fitbkg']) self.guiconfig.BkgComBox.setCurrentIndex(i) except: print("Background not in list %s" %\ self.specfit.fitconfig['fitbkg']) self.bkgevent(list(self.specfit.bkgdict.keys())[0]) #and all the rest if configuration['McaMode']: self.guiconfig.MCACheckBox.setChecked(1) else: self.guiconfig.MCACheckBox.setChecked(0) if configuration['WeightFlag']: self.guiconfig.WeightCheckBox.setChecked(1) else: self.guiconfig.WeightCheckBox.setChecked(0) if configuration['AutoFwhm']: self.guiconfig.AutoFWHMCheckBox.setChecked(1) else: self.guiconfig.AutoFWHMCheckBox.setChecked(0) if configuration['AutoScaling']: self.guiconfig.AutoScalingCheckBox.setChecked(1) else: self.guiconfig.AutoScalingCheckBox.setChecked(0) #update the Gui self.__initialparameters() def configureGui(self,oldconfiguration): #this method can be overwritten for custom #it should give back a new dictionary newconfiguration={} newconfiguration.update(oldconfiguration) if (0): #example to force a given default configuration newconfiguration['FitTheory']="Pseudo-Voigt Line" newconfiguration['AutoFwhm']=1 newconfiguration['AutoScaling']=1 #example script options like if (1): sheet1={'notetitle':'Restrains', 'fields':(["CheckField",'HeightAreaFlag','Force positive Height/Area'], ["CheckField",'PositionFlag','Force position in interval'], ["CheckField",'PosFwhmFlag','Force positive FWHM'], ["CheckField",'SameFwhmFlag','Force same FWHM'], ["CheckField",'EtaFlag','Force Eta between 0 and 1'], ["CheckField",'NoConstrainsFlag','Ignore Restrains'])} sheet2={'notetitle':'Search', 'fields':(["EntryField",'FwhmPoints', 'Fwhm Points: '], ["EntryField",'Sensitivity','Sensitivity: '], ["EntryField",'Yscaling', 'Y Factor : '], ["CheckField",'ForcePeakPresence', 'Force peak presence '])} w=QScriptOption.QScriptOption(self,name='Fit Configuration', sheets=(sheet1,sheet2), default=oldconfiguration) w.show() w.exec_() if w.result(): newconfiguration.update(w.output) #we do not need the dialog any longer del w newconfiguration['FwhmPoints']=int(float(newconfiguration['FwhmPoints'])) newconfiguration['Sensitivity']=float(newconfiguration['Sensitivity']) newconfiguration['Yscaling']=float(newconfiguration['Yscaling']) return newconfiguration def estimate(self): if self.specfit.fitconfig['McaMode']: try: mcaresult=self.specfit.mcafit() except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setWindowTitle("Error on mcafit") msg.setInformativeText(str(sys.exc_info()[1])) msg.setDetailedText(traceback.format_exc()) msg.exec_() ddict={} ddict['event'] = 'FitError' self._emitSignal(ddict) if DEBUG: raise return self.guiparameters.fillfrommca(mcaresult) ddict={} ddict['event'] = 'McaFitFinished' ddict['data'] = mcaresult self._emitSignal(ddict) #self.guiparameters.removeallviews(keep='Region 1') else: try: if self.specfit.theorydict[self.specfit.fitconfig['fittheory']][2] is not None: self.specfit.estimate() else: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Information) text = "Function does not define a way to estimate\n" text += "the initial parameters. Please, fill them\n" text += "yourself in the table and press Start Fit\n" msg.setText(text) msg.setWindowTitle('SpecfitGui Message') msg.exec_() return except: if DEBUG: raise msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Error on estimate: %s" % sys.exc_info()[1]) msg.exec_() return self.guiparameters.fillfromfit(self.specfit.paramlist,current='Fit') self.guiparameters.removeallviews(keep='Fit') ddict={} ddict['event'] = 'EstimateFinished' ddict['data'] = self.specfit.paramlist self._emitSignal(ddict) return def __forward(self,ddict): self._emitSignal(ddict) def startfit(self): if self.specfit.fitconfig['McaMode']: try: mcaresult=self.specfit.mcafit() except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Error on mcafit: %s" % sys.exc_info()[1]) msg.exec_() if DEBUG: raise return self.guiparameters.fillfrommca(mcaresult) ddict={} ddict['event'] = 'McaFitFinished' ddict['data'] = mcaresult self._emitSignal(ddict) #self.guiparameters.removeview(view='Fit') else: #for param in self.specfit.paramlist: # print param['name'],param['group'],param['estimation'] self.specfit.paramlist=self.guiparameters.fillfitfromtable() if DEBUG: for param in self.specfit.paramlist: print(param['name'],param['group'],param['estimation']) print("TESTING") self.specfit.startfit() try: self.specfit.startfit() except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Error on Fit") msg.exec_() if DEBUG: raise return self.guiparameters.fillfromfit(self.specfit.paramlist,current='Fit') self.guiparameters.removeallviews(keep='Fit') ddict={} ddict['event'] = 'FitFinished' ddict['data'] = self.specfit.paramlist self._emitSignal(ddict) return def printps(self,**kw): text = self.guiparameters.gettext(**kw) if __name__ == "__main__": self.__printps(text) else: ddict={} ddict['event'] = 'print' ddict['text'] = text self._emitSignal(ddict) return def __printps(self, text): msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Sorry, Qt4 printing not implemented yet") msg.exec_() def mcaevent(self,item): if int(item): self.configure(McaMode=1) mode = 1 else: self.configure(McaMode=0) mode = 0 self.__initialparameters() ddict={} ddict['event'] = 'McaModeChanged' ddict['data'] = mode self._emitSignal(ddict) return def weightevent(self,item): if int(item): self.configure(WeightFlag=1) else: self.configure(WeightFlag=0) return def autofwhmevent(self,item): if int(item): self.configure(AutoFwhm=1) else: self.configure(AutoFwhm=0) return def autoscaleevent(self,item): if int(item): self.configure(AutoScaling=1) else: self.configure(AutoScaling=0) return def bkgevent(self,item): item=str(item) if item in self.specfit.bkgdict.keys(): self.specfit.setbackground(item) else: qt.QMessageBox.information(self, "Info", "Function not implemented") return i=1+self.specfit.bkgdict.keys().index(self.specfit.fitconfig['fitbkg']) self.guiconfig.BkgComBox.setCurrentIndex(i) self.__initialparameters() return def funevent(self,item): item=str(item) if item in self.specfit.theorylist: self.specfit.settheory(item) else: filelist = PyMcaFileDialogs.getFileList(self, message="Select python module with your function(s)", filetypelist=["Python Files (*.py)", "All Files (*)"], mode="OPEN", single=True, getfilter=False) if not len(filelist): functionsfile = "" else: functionsfile = filelist[0] if len(functionsfile): try: if self.specfit.importfun(functionsfile): qt.QMessageBox.critical(self, "ERROR", "Function not imported") return else: #empty the ComboBox n=self.guiconfig.FunComBox.count() while(self.guiconfig.FunComBox.count()>1): self.guiconfig.FunComBox.removeItem(1) #and fill it again for key in self.specfit.theorylist: if QTVERSION < '4.0.0': self.guiconfig.FunComBox.insertItem(str(key)) else: self.guiconfig.FunComBox.addItem(str(key)) except: qt.QMessageBox.critical(self, "ERROR", "Function not imported") i=1+self.specfit.theorylist.index(self.specfit.fitconfig['fittheory']) if QTVERSION < '4.0.0': self.guiconfig.FunComBox.setCurrentItem(i) else: self.guiconfig.FunComBox.setCurrentIndex(i) self.__initialparameters() return def __initialparameters(self): self.specfit.final_theory=[] self.specfit.paramlist=[] for pname in self.specfit.bkgdict[self.specfit.fitconfig['fitbkg']][1]: self.specfit.final_theory.append(pname) self.specfit.paramlist.append({'name':pname, 'estimation':0, 'group':0, 'code':'FREE', 'cons1':0, 'cons2':0, 'fitresult':0.0, 'sigma':0.0, 'xmin':None, 'xmax':None}) if self.specfit.fitconfig['fittheory'] is not None: for pname in self.specfit.theorydict[self.specfit.fitconfig['fittheory']][1]: self.specfit.final_theory.append(pname+"1") self.specfit.paramlist.append({'name':pname+"1", 'estimation':0, 'group':1, 'code':'FREE', 'cons1':0, 'cons2':0, 'fitresult':0.0, 'sigma':0.0, 'xmin':None, 'xmax':None}) if self.specfit.fitconfig['McaMode']: self.guiparameters.fillfromfit(self.specfit.paramlist,current='Region 1') self.guiparameters.removeallviews(keep='Region 1') else: self.guiparameters.fillfromfit(self.specfit.paramlist,current='Fit') self.guiparameters.removeallviews(keep='Fit') return def fitstatus(self,data): if 'chisq' in data: if data['chisq'] is None: self.guistatus.ChisqLine.setText(" ") else: chisq=data['chisq'] self.guistatus.ChisqLine.setText("%6.2f" % chisq) if 'status' in data: status=data['status'] self.guistatus.StatusLine.setText(str(status)) return def dismiss(self): self.close() return if __name__ == "__main__": import numpy from PyMca5 import SpecfitFunctions a=SpecfitFunctions.SpecfitFunctions() x = numpy.arange(2000).astype(numpy.float) p1 = numpy.array([1500,100.,30.0]) p2 = numpy.array([1500,300.,30.0]) p3 = numpy.array([1500,500.,30.0]) p4 = numpy.array([1500,700.,30.0]) p5 = numpy.array([1500,900.,30.0]) p6 = numpy.array([1500,1100.,30.0]) p7 = numpy.array([1500,1300.,30.0]) p8 = numpy.array([1500,1500.,30.0]) p9 = numpy.array([1500,1700.,30.0]) p10 = numpy.array([1500,1900.,30.0]) y = a.gauss(p1,x)+1 y = y + a.gauss(p2,x) y = y + a.gauss(p3,x) y = y + a.gauss(p4,x) y = y + a.gauss(p5,x) #y = y + a.gauss(p6,x) #y = y + a.gauss(p7,x) #y = y + a.gauss(p8,x) #y = y + a.gauss(p9,x) #y = y + a.gauss(p10,x) y=y/1000.0 a = qt.QApplication(sys.argv) a.lastWindowClosed.connect(a.quit) w = SpecfitGui(config=1, status=1, buttons=1) w.setdata(x=x,y=y) w.show() a.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/math/fitting/SimpleFitGui.py0000644000276300001750000004267013136054446023026 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2016 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaMath.fitting import SimpleFitModule from . import SimpleFitConfigurationGui from PyMca5.PyMcaMath.fitting import SimpleFitUserEstimatedFunctions from . import Parameters from PyMca5.PyMcaGui import PlotWindow DEBUG = 0 class TopWidget(qt.QWidget): def __init__(self, parent=None): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(2, 2, 2, 2) self.mainLayout.setSpacing(2) font = qt.QFont(self.font()) font.setBold(True) #Function handling self.functionLabel = qt.QLabel(self) self.functionLabel.setFont(font) self.functionLabel.setText("Function:") self.addFunctionButton = qt.QPushButton(self) self.addFunctionButton.setText("ADD") #fit function self.fitFunctionLabel = qt.QLabel(self) self.fitFunctionLabel.setFont(font) self.fitFunctionLabel.setText("Fit:") self.fitFunctionCombo = qt.QComboBox(self) self.fitFunctionCombo.addItem(qt.safe_str("None")) self.fitFunctionCombo.setSizeAdjustPolicy(qt.QComboBox.AdjustToContents) self.fitFunctionCombo.setMinimumWidth(100) #background function self.backgroundLabel = qt.QLabel(self) self.backgroundLabel.setFont(font) self.backgroundLabel.setText("Background:") self.backgroundCombo = qt.QComboBox(self) self.backgroundCombo.addItem(qt.safe_str("None")) self.backgroundCombo.setSizeAdjustPolicy(qt.QComboBox.AdjustToContents) self.backgroundCombo.setMinimumWidth(100) #arrange everything self.mainLayout.addWidget(self.functionLabel, 0, 0) self.mainLayout.addWidget(self.addFunctionButton, 0, 1) self.mainLayout.addWidget(qt.HorizontalSpacer(self), 0, 2) self.mainLayout.addWidget(self.fitFunctionLabel, 0, 3) self.mainLayout.addWidget(self.fitFunctionCombo, 0, 4) self.mainLayout.addWidget(qt.HorizontalSpacer(self), 0, 5) self.mainLayout.addWidget(self.backgroundLabel, 0, 6) self.mainLayout.addWidget(self.backgroundCombo, 0, 7) self.configureButton = qt.QPushButton(self) self.configureButton.setText("CONFIGURE") self.mainLayout.addWidget(self.configureButton, 0, 8) def setFunctions(self, functionList): currentFunction = qt.safe_str(self.fitFunctionCombo.currentText()) currentBackground = qt.safe_str(self.backgroundCombo.currentText()) self.fitFunctionCombo.clear() self.backgroundCombo.clear() self.fitFunctionCombo.addItem('None') self.backgroundCombo.addItem('None') for key in functionList: self.fitFunctionCombo.addItem(qt.safe_str(key)) self.backgroundCombo.addItem(qt.safe_str(key)) #restore previous values idx = self.fitFunctionCombo.findText(currentFunction) self.fitFunctionCombo.setCurrentIndex(idx) idx = self.backgroundCombo.findText(currentBackground) self.backgroundCombo.setCurrentIndex(idx) class StatusWidget(qt.QWidget): def __init__(self, parent=None): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QHBoxLayout(self) self.mainLayout.setContentsMargins(2, 2, 2, 2) self.mainLayout.setSpacing(2) self.statusLabel = qt.QLabel(self) self.statusLabel.setText(qt.safe_str("Status:")) self.statusLine = qt.QLineEdit(self) self.statusLine.setText(qt.safe_str("Ready")) self.statusLine.setReadOnly(1) self.chi2Label = qt.QLabel(self) self.chi2Label.setText(qt.safe_str("Reduced Chi Square:")) self.chi2Line = qt.QLineEdit(self) self.chi2Line.setText(qt.safe_str("")) self.chi2Line.setReadOnly(1) self.mainLayout.addWidget(self.statusLabel) self.mainLayout.addWidget(self.statusLine) self.mainLayout.addWidget(self.chi2Label) self.mainLayout.addWidget(self.chi2Line) class SimpleFitGui(qt.QWidget): sigSimpleFitSignal = qt.pyqtSignal(object) def __init__(self, parent=None, fit=None, graph=None, actions=True): qt.QWidget.__init__(self, parent) self.setWindowTitle("SimpleFitGui") if fit is None: self.fitModule = SimpleFitModule.SimpleFit() self.fitModule.importFunctions(SimpleFitUserEstimatedFunctions) else: self.fitModule = fit if graph is None: self.__useTab = True self.graph = PlotWindow.PlotWindow(newplot=False, plugins=False, fit=False, control=True, position=True) else: self.__useTab = False self.graph = graph self._configurationDialog = None self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(2, 2, 2, 2) self.mainLayout.setSpacing(2) self.topWidget = TopWidget(self) config = self.fitModule.getConfiguration() self.topWidget.setFunctions(config['fit']['functions']) config = None if self.__useTab: self.mainTab = qt.QTabWidget(self) self.mainLayout.addWidget(self.mainTab) self.parametersTable = Parameters.Parameters() self.mainTab.addTab(self.graph, 'GRAPH') self.mainTab.addTab(self.parametersTable, 'FIT') else: self.parametersTable = Parameters.Parameters(self) self.statusWidget = StatusWidget(self) self.mainLayout.addWidget(self.topWidget) if self.__useTab: self.mainLayout.addWidget(self.mainTab) else: self.mainLayout.addWidget(self.parametersTable) self.mainLayout.addWidget(self.statusWidget) if actions: #build the actions widget self.fitActions = qt.QWidget(self) self.fitActions.mainLayout = qt.QHBoxLayout(self.fitActions) self.fitActions.mainLayout.setContentsMargins(2, 2, 2, 2) self.fitActions.mainLayout.setSpacing(2) self.fitActions.estimateButton = qt.QPushButton(self.fitActions) self.fitActions.estimateButton.setText("Estimate") self.fitActions.startFitButton = qt.QPushButton(self.fitActions) self.fitActions.startFitButton.setText("Start Fit") self.fitActions.dismissButton = qt.QPushButton(self.fitActions) self.fitActions.dismissButton.setText("Dismiss") self.fitActions.mainLayout.addWidget(self.fitActions.estimateButton) self.fitActions.mainLayout.addWidget(self.fitActions.startFitButton) self.fitActions.mainLayout.addWidget(self.fitActions.dismissButton) self.mainLayout.addWidget(self.fitActions) #connect top widget self.topWidget.addFunctionButton.clicked.connect(\ self.importFunctions) self.topWidget.fitFunctionCombo.currentIndexChanged[int].connect(\ self.fitFunctionComboSlot) self.topWidget.backgroundCombo.currentIndexChanged[int].connect(\ self.backgroundComboSlot) self.topWidget.configureButton.clicked.connect(\ self.configureButtonSlot) if actions: #connect actions self.fitActions.estimateButton.clicked.connect(self.estimate) self.fitActions.startFitButton.clicked.connect(self.startFit) self.fitActions.dismissButton.clicked.connect(self.dismiss) def importFunctions(self, functionsfile=None): if functionsfile is None: fn = qt.QFileDialog.getOpenFileName() if fn.isEmpty(): functionsfile = "" else: functionsfile= qt.safe_str(fn) if not len(functionsfile): return if DEBUG: self.fitModule.importFunctions(functionsfile) else: try: self.fitModule.importFunctions(functionsfile) except: qt.QMessageBox.critical(self, "ERROR", "Function not imported") config = self.fitModule.getConfiguration() self.topWidget.setFunctions(config['fit']['functions']) def fitFunctionComboSlot(self, idx): if idx <= 0: fname = "None" else: fname = qt.safe_str(self.topWidget.fitFunctionCombo.itemText(idx)) self.fitModule.setFitFunction(fname) def backgroundComboSlot(self, idx): if idx <= 0: fname = "None" else: fname = qt.safe_str(self.topWidget.backgroundCombo.itemText(idx)) self.setBackgroundFunction(fname) def configureButtonSlot(self): if self._configurationDialog is None: self._configurationDialog =\ SimpleFitConfigurationGui.SimpleFitConfigurationGui() self._configurationDialog.setSimpleFitInstance(self.fitModule) if not self._configurationDialog.exec_(): if DEBUG: print("NOT UPDATING CONFIGURATION") oldConfig = self.fitModule.getConfiguration() self._configurationDialog.setConfiguration(oldConfig) return newConfig = self._configurationDialog.getConfiguration() self.topWidget.setFunctions(newConfig['fit']['functions']) self.fitModule.setConfiguration(newConfig) newConfig = self.fitModule.getConfiguration() #self.topWidget.setFunctions(newConfig['fit']['functions']) fname = self.fitModule.getFitFunction() if fname in [None, "None", "NONE"]: idx = 0 else: idx = newConfig['fit']['functions'].index(fname) + 1 self.topWidget.fitFunctionCombo.setCurrentIndex(idx) fname = self.fitModule.getBackgroundFunction() if fname in [None, "None", "NONE"]: idx = 0 else: idx = newConfig['fit']['functions'].index(fname) + 1 idx = self.topWidget.backgroundCombo.findText(fname) self.topWidget.backgroundCombo.setCurrentIndex(idx) if DEBUG: print("TABLE TO BE CLEANED") #self.estimate() def setFitFunction(self, fname): current = self.fitModule.getFitFunction() if current != fname: self.fitModule.setFitFunction(fname) idx = self.topWidget.fitFunctionCombo.findText(fname) self.topWidget.fitFunctionCombo.setCurrentIndex(idx) def setBackgroundFunction(self, fname): current = self.fitModule.getBackgroundFunction() if current != fname: self.fitModule.setBackgroundFunction(fname) idx = self.topWidget.backgroundCombo.findText(fname) self.topWidget.backgroundCombo.setCurrentIndex(idx) def setData(self, *var, **kw): returnValue = self.fitModule.setData(*var, **kw) if self.__useTab: if hasattr(self.graph, "addCurve"): self.graph.addCurve(self.fitModule._x, self.fitModule._y, legend='Data', replace=True) elif hasattr(self.graph, "newCurve"): self.graph.clearCurves() self.graph.newCurve('Data', self.fitModule._x, self.fitModule._y) self.graph.replot() return returnValue def estimate(self): self.setStatus("Estimate started") self.statusWidget.chi2Line.setText("") try: x = self.fitModule._x y = self.fitModule._y self.graph.clear() self.graph.addCurve(x, y, 'Data') self.fitModule.estimate() self.setStatus() self.parametersTable.fillTableFromFit(self.fitModule.paramlist) except: if DEBUG: raise text = "%s:%s" % (sys.exc_info()[0], sys.exc_info()[1]) msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText(text) msg.exec_() self.setStatus("Ready (after estimate error)") def setStatus(self, text=None): if text is None: text = "%s" % self.fitModule.getStatus() self.statusWidget.statusLine.setText(text) def startFit(self): #get parameters from table self.fitModule.paramlist = self.parametersTable.fillFitFromTable() try: values,chisq,sigma,niter,lastdeltachi = self.fitModule.startFit() self.setStatus() except: if DEBUG: raise text = "%s:%s" % (sys.exc_info()[0], sys.exc_info()[1]) msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText(text) msg.exec_() self.setStatus("Ready (after fit error)") return self.parametersTable.fillTableFromFit(self.fitModule.paramlist) self.statusWidget.chi2Line.setText("%f" % chisq) ddict = {} ddict['event'] = "FitFinished" ddict['x'] = self.fitModule._x ddict['y'] = self.fitModule._y ddict['yfit'] = self.evaluateDefinedFunction() self.sigSimpleFitSignal.emit(ddict) self.updateGraph() def updateGraph(self): #this is to be overwritten and for test purposes if self.graph is None: return ddict = self.fitModule.evaluateContributions() ddict['event'] = "FitFinished" ddict['x'] = self.fitModule._x ddict['y'] = self.fitModule._y #ddict['yfit'] = self.evaluateDefinedFunction() #ddict['background'] = self.fitModule._evaluateBackground() self.graph.clear() self.graph.addCurve(ddict['x'], ddict['y'], 'Data', replot=False) self.graph.addCurve(ddict['x'], ddict['yfit'], 'Fit', replot=False) self.graph.addCurve(ddict['x'], ddict['background'], 'Background', replot=False) contributions = ddict['contributions'] if len(contributions) > 1: background = ddict['background'] i = 0 for contribution in contributions: i += 1 self.graph.addCurve(ddict['x'], background + contribution, legend='Contribution %d' % i, replot=False) self.graph.replot() self.graph.show() def dismiss(self): self.close() def evaluateDefinedFunction(self, x=None): return self.fitModule.evaluateDefinedFunction(x) def evaluateContributions(self, x=None): return self.fitModule.evaluateContributions(x) def test(): import numpy #import DefaultFitFunctions as SpecfitFunctions from PyMca5.PyMca import SpecfitFunctions a=SpecfitFunctions.SpecfitFunctions() x = numpy.arange(1000).astype(numpy.float) p1 = numpy.array([1500,100.,50.0]) p2 = numpy.array([1500,700.,50.0]) y = a.gauss(p1, x) y = y + a.gauss(p2,x) + x * 5. if 0: fit = SimpleFitModule.SimpleFit() fit.importFunctions(SpecfitFunctions) fit.setFitFunction('Gaussians') #fit.setBackgroundFunction('Gaussians') #fit.setBackgroundFunction('Constant') fit.setData(x, y) w = SimpleFitGui(fit=fit) w.show() else: fit=None w = SimpleFitGui(fit=fit) w.setData(x, y, xmin=x[0], xmax=x[-1]) w.show() from PyMca5.PyMca import SimpleFitUserEstimatedFunctions fname = SimpleFitUserEstimatedFunctions.__file__ w.importFunctions(fname) w.setFitFunction('User Estimated Gaussians') return w if __name__=="__main__": DEBUG = 0 app = qt.QApplication([]) w = test() app.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/math/fitting/TextField.py0000644000276300001750000000550313136054446022347 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys from PyMca5.PyMcaGui import PyMcaQt as qt QTVERSION = qt.qVersion() DEBUG = 0 class TextField(qt.QWidget): def __init__(self,parent = None,name = None,fl = 0): qt.QWidget.__init__(self,parent) self.resize(373,44) try: self.setSizePolicy(qt.QSizePolicy(1,1,0,0,self.sizePolicy().hasHeightForWidth())) except: if DEBUG: print("TextField Bad Size policy") TextFieldLayout = qt.QHBoxLayout(self) Layout2 = qt.QHBoxLayout(None) Layout2.setContentsMargins(0, 0, 0, 0) Layout2.setSpacing(6) spacer = qt.QSpacerItem(20,20, qt.QSizePolicy.Expanding,qt.QSizePolicy.Minimum) Layout2.addItem(spacer) self.TextLabel = qt.QLabel(self) try: self.TextLabel.setSizePolicy(qt.QSizePolicy(7,1,0,0,self.TextLabel.sizePolicy().hasHeightForWidth())) except: if DEBUG: print("TextField Bad Size policy") self.TextLabel.setText(str("TextLabel")) Layout2.addWidget(self.TextLabel) spacer_2 = qt.QSpacerItem(20,20, qt.QSizePolicy.Expanding,qt.QSizePolicy.Minimum) Layout2.addItem(spacer_2) TextFieldLayout.addLayout(Layout2) PyMca5-5.2.2/PyMca5/PyMcaGui/math/fitting/EntryField.py0000644000276300001750000000374313136054446022530 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" from PyMca5.PyMcaGui import PyMcaQt as qt QTVERSION = qt.qVersion() class EntryField(qt.QWidget): def __init__(self,parent = None,name = None,fl = 0): qt.QWidget.__init__(self,parent) Layout1 = qt.QHBoxLayout(self) self.TextLabel = qt.QLabel(self) self.TextLabel.setText("TextLabel") self.Entry = qt.QLineEdit(self) Layout1.addWidget(self.TextLabel) Layout1.addWidget(self.Entry) PyMca5-5.2.2/PyMca5/PyMcaGui/math/fitting/__init__.py0000644000276300001750000000000013136054446022201 0ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/PyMcaGui/math/fitting/FitActionsGui.py0000644000276300001750000000632413136054446023171 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" from PyMca5.PyMcaGui import PyMcaQt as qt QTVERSION = qt.qVersion() def uic_load_pixmap_FitActionsGui(name): pix = qt.QPixmap() if QTVERSION < '4.0.0': m = qt.QMimeSourceFactory.defaultFactory().data(name) if m: qt.QImageDrag.decode(m,pix) return pix class FitActionsGui(qt.QWidget): def __init__(self,parent = None,name = None,fl = 0): qt.QWidget.__init__(self,parent) self.resize(234,53) FitActionsGUILayout = qt.QGridLayout(self) FitActionsGUILayout.setContentsMargins(11, 11, 11, 11) FitActionsGUILayout.setSpacing(6) Layout9 = qt.QHBoxLayout(None) Layout9.setContentsMargins(0, 0, 0, 0) Layout9.setSpacing(6) self.EstimateButton = qt.QPushButton(self) self.EstimateButton.setText("Estimate") Layout9.addWidget(self.EstimateButton) spacer = qt.QSpacerItem(20,20, qt.QSizePolicy.Expanding, qt.QSizePolicy.Minimum) Layout9.addItem(spacer) self.StartfitButton = qt.QPushButton(self) self.StartfitButton.setText("Start Fit") Layout9.addWidget(self.StartfitButton) spacer_2 = qt.QSpacerItem(20,20, qt.QSizePolicy.Expanding, qt.QSizePolicy.Minimum) Layout9.addItem(spacer_2) self.DismissButton = qt.QPushButton(self) self.DismissButton.setText("Dismiss") Layout9.addWidget(self.DismissButton) FitActionsGUILayout.addLayout(Layout9,0,0) if __name__ == "__main__": app = qt.QApplication([]) w = FitActionsGui() w.show() app.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/math/fitting/SimpleFitConfigurationGui.py0000644000276300001750000005457213136054446025562 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import traceback import os.path import numpy from . import SimpleFitControlWidget from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaIO import ConfigDict from PyMca5.PyMcaGui.io import PyMcaFileDialogs from PyMca5.PyMcaGui import PyMca_Icons as Icons from PyMca5 import PyMcaDirs #strip background handling from . import Parameters from PyMca5.PyMcaGui.math.StripBackgroundWidget import StripBackgroundDialog DEBUG = 0 class DummyWidget(qt.QWidget): def __init__(self, parent=None, text="Automatically estimated function"): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(0) self.label = qt.QLabel(self) self.label.setAlignment(qt.Qt.AlignHCenter) self.label.setText(text) self.mainLayout.addWidget(qt.VerticalSpacer(self)) self.mainLayout.addWidget(self.label) self.mainLayout.addWidget(qt.VerticalSpacer(self)) self._configuration = {} def setConfiguration(self, ddict): self._configuration = ddict def getConfiguration(self): return self._configuration def configure(self, ddict=None): if ddict is None: return self.getConfiguration() else: return self.setConfiguration(ddict) class DefaultParametersWidget(qt.QWidget): def __init__(self, parent=None, fit=None, background=False): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(0) self.parametersWidget = Parameters.Parameters(self, allowBackgroundAdd=True) self.mainLayout.addWidget(self.parametersWidget) self.simpleFitInstance = fit self.background = background self._buffer = {} def setConfiguration(self, ddict): if self.simpleFitInstance is None: self._buffer = ddict return if ddict['configuration']['estimation'] is None: #initialize with the default parameters parameters = ddict['parameters'] if type(parameters) == type(""): parameters = [parameters] xmin = self.simpleFitInstance._x.min() xmax = self.simpleFitInstance._x.max() if self.background: group = 0 else: group = 1 paramlist = [] for i in range(len(parameters)): pname = parameters[i]+"_1" paramdict = {'name':pname, 'estimation':0, 'group':group, 'code':'FREE', 'cons1':0, 'cons2':0, 'fitresult':0.0, 'sigma':0.0, 'xmin':xmin, 'xmax':xmax} paramlist.append(paramdict) else: parameters = ddict['configuration']['estimation']['parameters'] if type(parameters) == type(""): parameters = [parameters] paramlist = [] for parameter in parameters: paramdict = ddict['configuration']['estimation'][parameter] paramlist.append(paramdict) self.parametersWidget.fillTableFromFit(paramlist) def getConfiguration(self): if self.simpleFitInstance is None: return self._buffer paramlist = self.parametersWidget.fillFitFromTable() ddict = {} ddict['configuration']={} ddict['configuration']['estimation'] = {} ddict['configuration']['estimation']['parameters'] = [] for param in paramlist: name = param['name'] ddict['configuration']['estimation']['parameters'].append(name) ddict['configuration']['estimation'][name] = {} for key in param.keys(): if key in ['xmax', 'xmin']: ddict['configuration']['estimation'][name][key] = float(param[key]) else: ddict['configuration']['estimation'][name][key] = param[key] return ddict def configure(self, ddict=None): if ddict is None: return self.getConfiguration() else: return self.setConfiguration(ddict) class SimpleFitConfigurationGui(qt.QDialog): def __init__(self, parent = None, fit=None): qt.QDialog.__init__(self, parent) self.setWindowTitle("PyMca - Simple Fit Configuration") self.setWindowIcon(qt.QIcon(qt.QPixmap(Icons.IconDict["gioconda16"]))) self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(2, 2, 2, 2) self.mainLayout.setSpacing(2) self.tabWidget = qt.QTabWidget(self) self.fitControlWidget = SimpleFitControlWidget.SimpleFitControlWidget(self) self.fitControlWidget.sigFitControlSignal.connect(self._fitControlSlot) self.tabWidget.insertTab(0, self.fitControlWidget, "FIT") self.fitFunctionWidgetStack = qt.QWidget(self) self.fitFunctionWidgetStack.mainLayout = qt.QStackedLayout(self.fitFunctionWidgetStack) self.fitFunctionWidgetStack.mainLayout.setContentsMargins(0, 0, 0, 0) self.fitFunctionWidgetStack.mainLayout.setSpacing(0) self.tabWidget.insertTab(1, self.fitFunctionWidgetStack, "FUNCTION") self.backgroundWidgetStack = qt.QWidget(self) self.backgroundWidgetStack.mainLayout = qt.QStackedLayout(self.backgroundWidgetStack) self.backgroundWidgetStack.mainLayout.setContentsMargins(0, 0, 0, 0) self.backgroundWidgetStack.mainLayout.setSpacing(0) self.tabWidget.insertTab(2, self.backgroundWidgetStack, "BACKGROUND") self.mainLayout.addWidget(self.tabWidget) self._stripDialog = None self.buildAndConnectActions() self.mainLayout.addWidget(qt.VerticalSpacer(self)) self._fitFunctionWidgets = {} self._backgroundWidgets = {} self.setSimpleFitInstance(fit) #input output directory self.initDir = None def _fitControlSlot(self, ddict): if DEBUG: print("FitControlSignal", ddict) event = ddict['event'] if event == "stripSetupCalled": if self._stripDialog is None: self._stripDialog = StripBackgroundDialog() self._stripDialog.setWindowIcon(qt.QIcon(\ qt.QPixmap(Icons.IconDict["gioconda16"]))) pars = self.__getConfiguration("FIT") if self.simpleFitInstance is None: return xmin = pars['xmin'] xmax = pars['xmax'] idx = (self.simpleFitInstance._x0 >= xmin) & (self.simpleFitInstance._x0 <= xmax) x = self.simpleFitInstance._x0[idx] * 1 y = self.simpleFitInstance._y0[idx] * 1 self._stripDialog.setParameters(pars) self._stripDialog.setData(x, y) ret = self._stripDialog.exec_() if not ret: return pars = self._stripDialog.getParameters() self.fitControlWidget.setConfiguration(pars) if event == "fitFunctionChanged": functionName = ddict['fit_function'] if functionName in [None, "None", "NONE"]: functionName = "None" instance = self._fitFunctionWidgets.get(functionName, None) if instance is None: instance = qt.QWidget(self.fitFunctionWidgetStack) self.fitFunctionWidgetStack.mainLayout.addWidget(instance) self._fitFunctionWidgets[functionName] = instance self.fitFunctionWidgetStack.mainLayout.setCurrentWidget(instance) return fun = self.simpleFitInstance._fitConfiguration['functions'][functionName] instance = self._fitFunctionWidgets.get(functionName, None) if instance is None: widget = fun.get('widget', None) if widget is None: instance = self._buildDefaultWidget(functionName, background=False) else: instance = widget(self.fitFunctionWidgetStack) self.fitFunctionWidgetStack.mainLayout.addWidget(instance) self._fitFunctionWidgets[functionName] = instance if hasattr(instance, 'configure'): configureMethod = fun['configure'] if configureMethod is not None: #make sure it is up-to-date fun['configuration'].update(configureMethod()) instance.configure(fun) self.fitFunctionWidgetStack.mainLayout.setCurrentWidget(instance) if event == "backgroundFunctionChanged": functionName = ddict['background_function'] if functionName in [None, "None", "NONE"]: functionName = "None" instance = self._backgroundWidgets.get(functionName, None) if instance is None: instance = qt.QWidget(self.backgroundWidgetStack) self.backgroundWidgetStack.mainLayout.addWidget(instance) self._backgroundWidgets[functionName] = instance self.backgroundWidgetStack.mainLayout.setCurrentWidget(instance) return fun = self.simpleFitInstance._fitConfiguration['functions'][functionName] instance = self._backgroundWidgets.get(functionName, None) if instance is None: widget = fun.get('widget', None) if widget is None: instance = self._buildDefaultWidget(functionName, background=True) else: instance = widget(self.backgroundWidgetStack) self.backgroundWidgetStack.mainLayout.addWidget(instance) self._backgroundWidgets[functionName] = instance if hasattr(instance, 'configure'): configureMethod = fun['configure'] if configureMethod is not None: #make sure it is up-to-date fun['configuration'].update(configureMethod()) instance.configure(fun) self.backgroundWidgetStack.mainLayout.setCurrentWidget(instance) def _buildDefaultWidget(self, functionName, background=False): functionDescription = self.simpleFitInstance._fitConfiguration['functions']\ [functionName] #if we here that means the function does not provide a widget #if the function does not provide an authomatic estimate #the user has to fill the default parameters in the default table estimate = functionDescription['estimate'] if estimate is None: if background: widget = DefaultParametersWidget(self.backgroundWidgetStack, self.simpleFitInstance, background=background) widget.setConfiguration(functionDescription) self.backgroundWidgetStack.mainLayout.addWidget(widget) else: widget = DefaultParametersWidget(self.fitFunctionWidgetStack, self.simpleFitInstance, background=background) widget.setConfiguration(functionDescription) self.fitFunctionWidgetStack.mainLayout.addWidget(widget) else: text = "%s is automatically configured and estimated" % functionName if background: widget = DummyWidget(self.backgroundWidgetStack, text=text) self.backgroundWidgetStack.mainLayout.addWidget(widget) else: widget = DummyWidget(self.fitFunctionWidgetStack, text=text) self.fitFunctionWidgetStack.mainLayout.addWidget(widget) return widget def buildAndConnectActions(self): buts= qt.QGroupBox(self) buts.layout = qt.QHBoxLayout(buts) load= qt.QPushButton(buts) load.setAutoDefault(False) load.setText("Load") save= qt.QPushButton(buts) save.setAutoDefault(False) save.setText("Save") reject= qt.QPushButton(buts) reject.setAutoDefault(False) reject.setText("Cancel") accept= qt.QPushButton(buts) accept.setAutoDefault(False) accept.setText("OK") buts.layout.addWidget(load) buts.layout.addWidget(save) buts.layout.addWidget(reject) buts.layout.addWidget(accept) self.mainLayout.addWidget(buts) load.clicked.connect(self.load) save.clicked.connect(self.save) reject.clicked.connect(self.reject) accept.clicked.connect(self.accept) def setSimpleFitInstance(self, fitInstance): self.simpleFitInstance = fitInstance if self.simpleFitInstance is not None: self.setConfiguration(self.simpleFitInstance.getConfiguration()) def setConfiguration(self, ddict): currentConfig = self.simpleFitInstance.getConfiguration() currentFiles = [] for functionName in currentConfig['functions'].keys(): fname = currentConfig['functions'][functionName]['file'] if fname not in currentFiles: currentFiles.append(fname) if 'functions' in ddict: #make sure new modules are imported for functionName in ddict['functions'].keys(): fileName = ddict['functions'][functionName]['file'] if fileName not in currentFiles: try: if DEBUG: print("Adding file %s" % fileName) self.simpleFitInstance.importFunctions(fileName) currentFiles.append(fileName) except: if "library.zip" in fileName: if DEBUG: print("Assuming PyMca supplied fit function") continue print("Cannot import file %s" % fileName) print(sys.exc_info()[1]) if 'fit' in ddict: self.fitControlWidget.setConfiguration(ddict['fit']) fitFunction = ddict['fit']['fit_function'] background = ddict['fit']['background_function'] if fitFunction not in self._fitFunctionWidgets.keys(): self._fitControlSlot({'event':'fitFunctionChanged', 'fit_function':fitFunction}) if background not in self._backgroundWidgets.keys(): self._fitControlSlot({'event':'backgroundFunctionChanged', 'background_function':background}) #fit function fname = ddict['fit']['fit_function'] widget = self._fitFunctionWidgets[fname] if fname not in [None, "None", "NONE"]: if fname in ddict['functions']: #if currentConfig['functions'][fname]['widget'] is not None: widget.setConfiguration(ddict['functions'][fname]) self.fitFunctionWidgetStack.mainLayout.setCurrentWidget(widget) #background function fname = ddict['fit']['background_function'] widget = self._backgroundWidgets[fname] if fname not in [None, "None", "NONE"]: if fname in ddict['functions']: #if currentConfig['functions'][fname]['widget'] is not None: widget.setConfiguration(ddict['functions'][fname]) self.backgroundWidgetStack.mainLayout.setCurrentWidget(widget) def getConfiguration(self): oldConfiguration = self.simpleFitInstance.getConfiguration() ddict = {} for name in ['fit']: ddict[name] = self.__getConfiguration(name) #fit function fname = ddict['fit']['fit_function'] ddict['functions'] = {} widget = self._fitFunctionWidgets[fname] if fname not in [None, "None", "NONE"]: ddict['functions'][fname]={} ddict['functions'][fname]['file'] = \ oldConfiguration['functions'][fname]['file'] ddict['functions'][fname]['configuration'] =\ oldConfiguration['functions'][fname]['configuration'] newConfig = widget.getConfiguration() if 'configuration' in newConfig: ddict['functions'][fname]['configuration'].update(\ newConfig['configuration']) else: ddict['functions'][fname]['configuration'].update(newConfig) #background function fname = ddict['fit']['background_function'] widget = self._backgroundWidgets[fname] if fname not in [None, "None", "NONE"]: ddict['functions'][fname]={} ddict['functions'][fname]['file'] = \ oldConfiguration['functions'][fname]['file'] ddict['functions'][fname]['configuration'] =\ oldConfiguration['functions'][fname]['configuration'] newConfig = widget.getConfiguration() if 'configuration' in newConfig: ddict['functions'][fname]['configuration'].update(\ newConfig['configuration']) else: ddict['functions'][fname]['configuration'].update(newConfig) return ddict def __getConfiguration(self, name): if name in ['fit', 'FIT']: return self.fitControlWidget.getConfiguration() def load(self): filetypelist = ["Fit configuration files (*.cfg)"] message = "Choose fit configuration file" initdir = os.path.curdir if self.initDir is not None: if os.path.isdir(self.initDir): initdir = self.initDir fileList = PyMcaFileDialogs.getFileList(parent=self, filetypelist=filetypelist, message=message, currentdir=initdir, mode="OPEN", getfilter=False, single=True, currentfilter=None, native=None) if len(fileList): filename = fileList[0] self.loadConfiguration(filename) self.initDir = os.path.dirname(filename) return def save(self): if self.initDir is None: self.initDir = PyMcaDirs.outputDir filetypelist = ["Fit configuration files (*.cfg)"] message = "Enter ouput fit configuration file" initdir = self.initDir fileList = PyMcaFileDialogs.getFileList(parent=self, filetypelist=filetypelist, message=message, currentdir=initdir, mode="SAVE", getfilter=False, single=True, currentfilter=None, native=None) if len(fileList): filename = fileList[0] self.saveConfiguration(filename) self.initDir = os.path.dirname(filename) return def loadConfiguration(self, filename): cfg= ConfigDict.ConfigDict() try: cfg.read(filename) self.initDir = os.path.dirname(filename) self.setConfiguration(cfg) except: if DEBUG: raise msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) txt = "ERROR while loading parameters from\n%s\n" % filename msg.setInformativeText(str(sys.exc_info()[1])) msg.setDetailedText(traceback.format_exc()) msg.exec_() def saveConfiguration(self, filename): cfg = ConfigDict.ConfigDict(self.getConfiguration()) if DEBUG: cfg.write(filename) self.initDir = os.path.dirname(filename) else: try: cfg.write(filename) self.initDir = os.path.dirname(filename) except: qt.QMessageBox.critical(self, "Save Parameters", "ERROR while saving parameters to\n%s"%filename, qt.QMessageBox.Ok, qt.QMessageBox.NoButton, qt.QMessageBox.NoButton) def test(): app = qt.QApplication(sys.argv) app.lastWindowClosed.conenct(app.quit) wid = SimpleFitConfigurationGui() ddict = {} ddict['fit'] = {} ddict['fit']['use_limits'] = 1 ddict['fit']['xmin'] = 1 ddict['fit']['xmax'] = 1024 wid.setConfiguration(ddict) wid.exec_() print(wid.getConfiguration()) sys.exit() if __name__=="__main__": DEBUG = 1 test() PyMca5-5.2.2/PyMca5/PyMcaGui/math/fitting/FitStatusGui.py0000644000276300001750000000565113136054446023056 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" from PyMca5.PyMcaGui import PyMcaQt as qt QTVERSION = qt.qVersion() def uic_load_pixmap_FitActionsGui(name): pix = qt.QPixmap() if QTVERSION < '4.0.0': m = qt.QMimeSourceFactory.defaultFactory().data(name) if m: qt.QImageDrag.decode(m,pix) return pix class FitStatusGui(qt.QWidget): def __init__(self,parent = None,name = None,fl = 0): qt.QWidget.__init__(self,parent) self.resize(535,47) FitStatusGUILayout = qt.QHBoxLayout(self) FitStatusGUILayout.setContentsMargins(11, 11, 11, 11) FitStatusGUILayout.setSpacing(6) self.StatusLabel = qt.QLabel(self) self.StatusLabel.setText("Status:") FitStatusGUILayout.addWidget(self.StatusLabel) self.StatusLine = qt.QLineEdit(self) self.StatusLine.setText("Ready") self.StatusLine.setReadOnly(1) FitStatusGUILayout.addWidget(self.StatusLine) self.ChisqLabel = qt.QLabel(self) self.ChisqLabel.setText("Chisq:") FitStatusGUILayout.addWidget(self.ChisqLabel) self.ChisqLine = qt.QLineEdit(self) #self.ChisqLine.setSizePolicy(QSizePolicy(1,0,0,0,self.ChisqLine.sizePolicy().hasHeightForWidth())) self.ChisqLine.setMaximumSize(qt.QSize(16000,32767)) self.ChisqLine.setText("") self.ChisqLine.setReadOnly(1) FitStatusGUILayout.addWidget(self.ChisqLine) PyMca5-5.2.2/PyMca5/PyMcaGui/math/fitting/RateLawWindow.py0000644000276300001750000001565513136054446023217 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2016 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import os import sys import numpy import traceback import copy from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaGui import PyMca_Icons IconDict = PyMca_Icons.IconDict from PyMca5.PyMcaGui import PlotWindow from PyMca5.PyMcaMath.fitting import RateLaw DEBUG = 0 class RateLawWindow(qt.QMainWindow): def __init__(self, parent=None, backend=None): super(RateLawWindow, self).__init__(parent) self.setWindowTitle("RateLaw Window") if parent is not None: # behave as a widget self.setWindowFlags(qt.Qt.Widget) self.mdiArea = RateLawMdiArea(self, backend=backend) self.setCentralWidget(self.mdiArea) # connect #self.mdiArea.sigRateLawMdiAreaSignal.connect(self._update) def setSpectrum(self, x, y, **kw): self.mdiArea.setSpectrum(x, y, **kw) class RateLawMdiArea(qt.QMdiArea): sigRateLawMdiAreaSignal = qt.pyqtSignal(object) def __init__(self, parent=None, backend=None): super(RateLawMdiArea, self).__init__(parent) self._windowDict = {} self._windowList = ["Original", "Zero", "First", "Second"] self._windowList.reverse() for title in self._windowList: plot = PlotWindow.PlotWindow(self, position=True, backend=backend) plot.setWindowTitle(title) self.addSubWindow(plot) self._windowDict[title] = plot plot.setDataMargins(0, 0, 0.025, 0.025) self._windowList.reverse() self.setActivationOrder(qt.QMdiArea.StackingOrder) self.tileSubWindows() def setSpectrum(self, x, y, legend=None, sigmay=None, xlabel=None, ylabel=None): for key in self._windowDict: self._windowDict[key].clearCurves() self._windowDict["Original"].addCurve(x, y, legend=legend, xlabel=xlabel, ylabel=ylabel, yerror=sigmay, symbol="o") self.update() def update(self): plot = self._windowDict["Original"] activeCurve = plot.getActiveCurve() if not len(activeCurve): return [x, y, legend, info] = activeCurve[:4] xmin, xmax = plot.getGraphXLimits() ymin, ymax = plot.getGraphYLimits() result = RateLaw.rateLaw(x, y, sigmay=None) labels = ["Zero", "First", "Second"] for key in labels: plot = self._windowDict[key] workingResult = result[key.lower()] if workingResult is None: # no fit was performed plot.clear() continue intercept = workingResult["intercept"] slope = workingResult["slope"] sigma_intercept = workingResult["sigma_intercept"] sigma_slope = workingResult["sigma_slope"] r_value = workingResult["r_value"] stderr = workingResult["stderr"] xw = workingResult["x"] yw = workingResult["y"] xlabel = info["ylabel"] ylabel = info["ylabel"] title = "r = %.5f slope = %.3E +/- %.2E" % (r_value, slope, sigma_slope) fit_legend = "%.3g * x + %.3g" % (slope, intercept) if key == "First": ylabel = "log(%s)" % ylabel elif key == "Second": ylabel = "1 / %s" % ylabel plot.addCurve(xw, yw, legend="Data", replace=True, replot=False, symbol="o", linestyle=" ", ylabel=ylabel) plot.setGraphTitle(title) plot.addCurve(xw, intercept + slope * xw, legend=fit_legend, replace=False, replot=True, symbol=None, color="red", ylabel=ylabel) plot.resetZoom() self.sigRateLawMdiAreaSignal.emit(result) def main(argv=None): if argv is None: argv = sys.argv if len(argv) < 2: # first order, k = 4.820e-04 x = [0, 600, 1200, 1800, 2400, 3000, 3600] y = [0.0365, 0.0274, 0.0206, 0.0157, 0.0117, 0.00860, 0.00640] order = "First" slope = "0.000482" print("Expected order: First") print("Expected slope: 0.000482") sigmay = None # second order, k = 1.3e-02 #x = [0, 900, 1800, 3600, 6000] #y = [1.72e-2, 1.43e-2, 1.23e-2, 9.52e-3, 7.3e-3] #order = "second" #slope = "0.013" elif len(argv) > 1: # assume we have got a two column csv file data = numpy.loadtxt(argv[1]) x = data[:, 0] y = data[:, 1] if data.shape[1] > 2: sigmay = data[:, 2] else: sigmay = None else: print("RateLaw [csv_file_name]") return w = RateLawWindow() w.show() w.setSpectrum(x, y, sigmay = sigmay) return w if __name__ == "__main__": app = qt.QApplication([]) w = main() app.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/math/fitting/SimpleFitBatchGui.py0000644000276300001750000002624013136054446023763 0ustar solebliss00000000000000#!/usr/bin/env python #/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaGui import IconDict from PyMca5 import PyMcaDirs from PyMca5.PyMcaGui import PyMcaFileDialogs PyMcaDirs.nativeFileDialogs = False QTVERSION = qt.qVersion() HDF5SUPPORT = True from PyMca5.PyMcaGui.pymca import QDataSource class SimpleFitBatchParameters(qt.QWidget): def __init__(self, parent=None, file_browser=True): qt.QWidget.__init__(self, parent) self.setWindowTitle("PyMca Simple Fit Batch GUI") self.setWindowIcon(qt.QIcon(qt.QPixmap(IconDict['gioconda16']))) self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(2, 2, 2, 2) self.mainLayout.setSpacing(2) self._inputDir = None self._outputDir = None self._lastInputFileFilter = None self._fileList = [] self._build(file_browser) def _build(self, file_browser): row = 0 if file_browser: self._listLabel = qt.QLabel(self) self._listLabel.setText("Input File list:") self._listView = qt.QTextEdit(self) self._listView.setMaximumHeight(30*self._listLabel.sizeHint().height()) self._listButton = qt.QPushButton(self) self._listButton.setText('Browse') self._listButton.setAutoDefault(False) self._listButton.clicked.connect(self.browseList) self.mainLayout.addWidget(self._listLabel, 0, 0, qt.Qt.AlignTop|qt.Qt.AlignLeft) self.mainLayout.addWidget(self._listView, 0, 1) self.mainLayout.addWidget(self._listButton, 0, 2, qt.Qt.AlignTop|qt.Qt.AlignRight) row += 1 #options labels = ['Fit Configuration File:', 'Output Directory:'] row0 = 0 for label in labels: l = qt.QLabel(self) l.setText(label) line = qt.QLineEdit(self) b = qt.QPushButton(self) b.setText('Browse') self.mainLayout.addWidget(l, row+row0, 0) self.mainLayout.addWidget(line, row+row0, 1) self.mainLayout.addWidget(b, row+row0, 2) if row0 == 0: self._fitConfigurationLine = line self._fitConfigurationButton = b else: self._outputDirectoryLine = line self._outputDirectoryButton = b row0 += 1 row += row0 self._outputDirectoryButton.clicked.connect( \ self.browseOutputDirectory) self._fitConfigurationButton.clicked.connect( \ self.browseFitConfiguration) def browseList(self): if self._inputDir is None: self._inputDir = PyMcaDirs.inputDir elif os.path.exists(self._inputDir): PyMcaDirs.inputDir = self._inputDir filetypes = ["Mca Files (*.mca)", "Edf Files (*.edf)"] if HDF5SUPPORT: filetypes.append("HDF5 Files(*.nxs *.h5 *.hdf)") filetypes.append("SPEC Files (*.spec)") filetypes.append("SPEC Files (*.dat)") filetypes.append("All files (*)") message = "Open a set of files" mode = "OPEN" getfilter = True currentfilter = self._lastInputFileFilter fileList, fileFilter = PyMcaFileDialogs.getFileList(self, filetypelist=filetypes, message=message, mode=mode, getfilter=getfilter, single=False, currentfilter=currentfilter) if not len(fileList): return else: self._lastInputFileFilter = fileFilter self._inputDir = os.path.dirname(fileList[0]) if (QTVERSION < '4.2.0') or (not len(self._fileList)): self.setFileList(fileList) self.raise_() return msg = qt.QMessageBox() msg.setWindowTitle("Append or replace") msg.setIcon(qt.QMessageBox.Information) msg.setText("Do you want to delete current file list?") msg.setStandardButtons(qt.QMessageBox.Yes|qt.QMessageBox.No) answer=msg.exec_() if answer == qt.QMessageBox.Yes: append = False else: append = True self.setFileList(fileList, append=append) self.raise_() def browseFitConfiguration(self): if self._inputDir is None: self._inputDir = PyMcaDirs.inputDir elif os.path.exists(self._inputDir): PyMcaDirs.inputDir = self._inputDir filetypes = ["Configuration Files (*.cfg)"] if self._inputDir is None: self._inputDir = PyMcaDirs.inputDir elif os.path.exists(self._inputDir): PyMcaDirs.inputDir = self._inputDir message = "Select a Simple Fit Configuration File" mode = "OPEN" getfilter = False currentfilter = None #self._lastInputFileFilter fileList = PyMcaFileDialogs.getFileList(self, filetypelist=filetypes, message=message, mode=mode, getfilter=getfilter, single=True, currentfilter=currentfilter) if not len(fileList): return self._inputDir = os.path.dirname(fileList[0]) self.setFitConfigurationFile(fileList[0]) self.raise_() def browseOutputDirectory(self): if self._outputDir is None: self._outputDir = PyMcaDirs.outputDir elif os.path.exists(self._outputDir): PyMcaDirs.inputDir = self._outputDir message = "Select a Simple Fit Configuration File" mode = "OPEN" fileList = PyMcaFileDialogs.getExistingDirectory(self, message=message, mode=mode) if not len(fileList): return if type(fileList) != type([]): fileList = [fileList] self._outputDir = os.path.dirname(fileList[0]) self.setOutputDirectory(fileList[0]) self.raise_() def setFileList(self, filelist, append=False): if filelist is None: filelist = [] if not append: self._fileList = [] self._listView.clear() text = "" for ffile in self._fileList: text += ffile + "\n" for ffile in filelist: if ffile not in self._fileList: self._fileList.append(ffile) text += ffile + "\n" self._listView.insertPlainText(text) sourceType = QDataSource.getSourceType(self._fileList[0]) dataSourceClass = QDataSource.source_types[sourceType] dataSourceWidget = QDataSource.source_widgets[sourceType] self._dataSource = dataSourceClass(self._fileList[0]) self._dataWidget = dataSourceWidget() self._dataWidget.setDataSource(self._dataSource) self._dataWidget.sigAddSelection.connect(self.printSelection) self._dataWidget.show() def setFitConfigurationFile(self, fname): self._fitConfigurationLine.setText(fname) def setOutputDirectory(self, fname): self._outputDirectoryLine.setText(fname) def printSelection(self, ddict): print("Received = ", ddict) def getParameters(self): ddict = {} ddict['selection'] = {} ddict['selection']['x'] = None ddict['selection']['y'] = None ddict['selection']['m'] = None ddict['filelist'] = self._fileList ddict['outputdir'] = str(self._outputDirectoryLine.text()) ddict['fitconfiguration'] = str(self._fitConfigurationLine.text()) return ddict class SimpleFitBatchGui(qt.QWidget): def __init__(self, parent=None, stack=False, actions=True): qt.QWidget.__init__(self, parent) if stack in [None, False]: file_browser = False else: file_browser = True self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(2, 2, 2, 2) self.mainLayout.setSpacing(2) self.parametersWidget = SimpleFitBatchParameters(self) self.getParameters = self.parametersWidget.getParameters self.mainLayout.addWidget(self.parametersWidget) if actions: self.actionsBox = qt.QWidget(self) self.actionsBox.mainLayout = qt.QHBoxLayout(self.actionsBox) self.actionsBox.mainLayout.setContentsMargins(2, 2, 2, 2) self.actionsBox.mainLayout.setSpacing(2) self.closeButton = qt.QPushButton(self.actionsBox) self.closeButton.setText("Close") self.startButton = qt.QPushButton(self.actionsBox) self.startButton.setText("Start") self.actionsBox.mainLayout.addWidget(qt.HorizontalSpacer(self.actionsBox)) self.actionsBox.mainLayout.addWidget(self.closeButton) self.actionsBox.mainLayout.addWidget(qt.HorizontalSpacer(self.actionsBox)) self.actionsBox.mainLayout.addWidget(self.startButton) self.actionsBox.mainLayout.addWidget(qt.HorizontalSpacer(self.actionsBox)) self.mainLayout.addWidget(self.actionsBox) self.closeButton.clicked.connect(self.close) if __name__ == "__main__": app = qt.QApplication([]) w = SimpleFitBatchGui() w.show() app.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/math/fitting/FitConfigGui.py0000644000276300001750000001146313136054446022776 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" from PyMca5.PyMcaGui import PyMcaQt as qt QTVERSION = qt.qVersion() def uic_load_pixmap_FitConfigGui(name): pix = qt.QPixmap() m = qt.QMimeSourceFactory.defaultFactory().data(name) if m: qt.QImageDrag.decode(m,pix) return pix class FitConfigGui(qt.QWidget): def __init__(self,parent = None,name = None,fl = 0): qt.QWidget.__init__(self,parent) self.setWindowTitle(str("FitConfigGUI")) FitConfigGUILayout = qt.QHBoxLayout(self) FitConfigGUILayout.setContentsMargins(11, 11, 11, 11) FitConfigGUILayout.setSpacing(6) Layout9 = qt.QHBoxLayout(None) Layout9.setContentsMargins(0, 0, 0, 0) Layout9.setSpacing(6) Layout2 = qt.QGridLayout(None) Layout2.setContentsMargins(0, 0, 0, 0) Layout2.setSpacing(6) self.BkgComBox = qt.QComboBox(self) self.BkgComBox.addItem(str("Add Background")) Layout2.addWidget(self.BkgComBox,1,1) self.BkgLabel = qt.QLabel(self) self.BkgLabel.setText(str("Background")) Layout2.addWidget(self.BkgLabel,1,0) self.FunComBox = qt.QComboBox(self) self.FunComBox.addItem(str("Add Function(s)")) Layout2.addWidget(self.FunComBox,0,1) self.FunLabel = qt.QLabel(self) self.FunLabel.setText(str("Function")) Layout2.addWidget(self.FunLabel,0,0) Layout9.addLayout(Layout2) spacer = qt.QSpacerItem(20,20, qt.QSizePolicy.Expanding, qt.QSizePolicy.Minimum) Layout9.addItem(spacer) Layout6 = qt.QGridLayout(None) Layout6.setContentsMargins(0, 0, 0, 0) Layout6.setSpacing(6) self.WeightCheckBox = qt.QCheckBox(self) self.WeightCheckBox.setText(str("Weight")) Layout6.addWidget(self.WeightCheckBox,0,0) self.MCACheckBox = qt.QCheckBox(self) self.MCACheckBox.setText(str("MCA Mode")) Layout6.addWidget(self.MCACheckBox,1,0) Layout9.addLayout(Layout6) Layout6_2 = qt.QGridLayout(None) Layout6_2.setContentsMargins(0, 0, 0, 0) Layout6_2.setSpacing(6) self.AutoFWHMCheckBox = qt.QCheckBox(self) self.AutoFWHMCheckBox.setText(str("Auto FWHM")) Layout6_2.addWidget(self.AutoFWHMCheckBox,0,0) self.AutoScalingCheckBox = qt.QCheckBox(self) self.AutoScalingCheckBox.setText(str("Auto Scaling")) Layout6_2.addWidget(self.AutoScalingCheckBox,1,0) Layout9.addLayout(Layout6_2) spacer_2 = qt.QSpacerItem(20,20,qt.QSizePolicy.Expanding, qt.QSizePolicy.Minimum) Layout9.addItem(spacer_2) Layout5 = qt.QGridLayout(None) Layout5.setContentsMargins(0, 0, 0, 0) Layout5.setSpacing(6) self.PrintPushButton = qt.QPushButton(self) self.PrintPushButton.setText(str("Print")) Layout5.addWidget(self.PrintPushButton,1,0) self.ConfigureButton = qt.QPushButton(self) self.ConfigureButton.setText(str("Configure")) Layout5.addWidget(self.ConfigureButton,0,0) Layout9.addLayout(Layout5) FitConfigGUILayout.addLayout(Layout9) if __name__ == "__main__": app = qt.QApplication([]) w = FitConfigGui() w.show() app.exec_() PyMca5-5.2.2/PyMca5/PyMcaGui/math/fitting/SimpleFitControlWidget.py0000644000276300001750000005636213136054446025071 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys from PyMca5.PyMcaGui import PyMcaQt as qt QTVERSION = qt.qVersion() class FitFunctionDefinition(qt.QGroupBox): sigFitFunctionDefinitionSignal = qt.pyqtSignal(object) def __init__(self, parent=None): qt.QGroupBox.__init__(self, parent) self.setTitle("Function Definition") self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(2, 2, 2, 2) self.mainLayout.setSpacing(2) row = 0 #actual fit function self.fitFunctionCheckBox = qt.QCheckBox(self) self.fitFunctionCheckBox.setText("Fit Function to be used") self.fitFunctionCombo = qt.QComboBox(self) self.fitFunctionCombo.addItem(str("None")) self.fitFunctionCombo.activated[int].connect( \ self._fitFunctionComboActivated) self.fitFunctionSetupButton = qt.QPushButton(self) self.fitFunctionSetupButton.setText('SETUP') self.fitFunctionSetupButton.setAutoDefault(False) self.fitFunctionSetupButton.hide() self.mainLayout.addWidget(self.fitFunctionCheckBox, row, 0) self.mainLayout.addWidget(qt.HorizontalSpacer(self), row, 1) self.mainLayout.addWidget(self.fitFunctionSetupButton, row, 2) self.mainLayout.addWidget(self.fitFunctionCombo, row, 3) row += 1 #background self.backgroundCheckBox = qt.QCheckBox(self) self.backgroundCheckBox.setText("Background function") self.backgroundCombo = qt.QComboBox(self) self.backgroundCombo.addItem(str("None")) self.backgroundCombo.activated[int].connect( \ self._backgroundComboActivated) self.backgroundSetupButton = qt.QPushButton(self) self.backgroundSetupButton.setText('SETUP') self.backgroundSetupButton.setAutoDefault(False) self.backgroundSetupButton.hide() self.mainLayout.addWidget(self.backgroundCheckBox, row, 0) self.mainLayout.addWidget(qt.HorizontalSpacer(self), row, 1) self.mainLayout.addWidget(self.backgroundSetupButton, row, 2) self.mainLayout.addWidget(self.backgroundCombo, row, 3) row += 1 #stripping self.stripCheckBox = qt.QCheckBox(self) self.stripCheckBox.setText("Non-analytical (or estimation) background algorithm") self.stripCombo = qt.QComboBox(self) self.stripCombo.addItem(str("Strip")) self.stripCombo.addItem(str("SNIP")) self.stripSetupButton = qt.QPushButton(self) self.stripSetupButton.setText('SETUP') self.stripSetupButton.setAutoDefault(False) self.stripCombo.activated[int].connect(self._stripComboActivated) self.mainLayout.addWidget(self.stripCheckBox, row, 0) self.mainLayout.addWidget(qt.HorizontalSpacer(self), row, 1) self.mainLayout.addWidget(self.stripSetupButton, row, 2) self.mainLayout.addWidget(self.stripCombo, row, 3) row += 1 self.snipWidthLabel = qt.QLabel(self) self.snipWidthLabel.setText(str("SNIP Background Width")) self.snipWidthSpin = qt.QSpinBox(self) self.snipWidthSpin.setMinimum(1) self.snipWidthSpin.setMaximum(300) self.snipWidthSpin.setValue(10) self.mainLayout.addWidget(self.snipWidthLabel, row, 0) self.mainLayout.addWidget(self.snipWidthSpin, row, 3) row += 1 self.stripWidthLabel = qt.QLabel(self) self.stripWidthLabel.setText(str("Strip Background Width")) self.stripWidthSpin = qt.QSpinBox(self) self.stripWidthSpin.setMinimum(1) self.stripWidthSpin.setMaximum(100) self.stripWidthSpin.setValue(4) self.mainLayout.addWidget(self.stripWidthLabel, row, 0) self.mainLayout.addWidget(self.stripWidthSpin, row, 3) row += 1 self.stripIterLabel = qt.QLabel(self) self.stripIterLabel.setText(str("Strip Background Iterations")) self.stripIterSpin = qt.QSpinBox(self) self.stripIterSpin.setMinimum(0) self.stripIterSpin.setMaximum(100000) self.stripIterSpin.setValue(5000) self.mainLayout.addWidget(self.stripIterLabel, row, 0) self.mainLayout.addWidget(self.stripIterSpin, row, 3) row += 1 self.stripFilterLabel = qt.QLabel(self) text = str("Strip Background Smoothing Width (Savitsky-Golay)") self.stripFilterLabel.setText(text) self.stripFilterSpin = qt.QSpinBox(self) self.stripFilterSpin.setMinimum(0) self.stripFilterSpin.setMaximum(40) self.stripFilterSpin.setSingleStep(2) self.mainLayout.addWidget(self.stripFilterLabel, row, 0) self.mainLayout.addWidget(self.stripFilterSpin, row, 3) row += 1 #anchors self.anchorsContainer = qt.QWidget(self) anchorsContainerLayout = qt.QHBoxLayout(self.anchorsContainer) anchorsContainerLayout.setContentsMargins(2, 2, 2, 2) anchorsContainerLayout.setSpacing(2) self.stripAnchorsCheckBox = qt.QCheckBox(self.anchorsContainer) self.stripAnchorsCheckBox.setText(str("Strip Background use Anchors")) anchorsContainerLayout.addWidget(self.stripAnchorsCheckBox) self.stripAnchorsList = [] for i in range(4): anchor = qt.QLineEdit(self.anchorsContainer) anchor._v = qt.QDoubleValidator(anchor) anchor.setValidator(anchor._v) anchor.setText("0.0") anchorsContainerLayout.addWidget(anchor) self.stripAnchorsList.append(anchor) self.mainLayout.addWidget(self.anchorsContainer, row, 0, 1, 4) row += 1 #signals self.fitFunctionSetupButton.clicked.connect(self.setupFitFunction) self.backgroundSetupButton.clicked.connect(self.setupBackground) self.stripSetupButton.clicked.connect(self.setupStrip) def _stripComboActivated(self, iValue): if iValue == 1: self.setSNIP(True) else: self.setSNIP(False) def _fitFunctionComboActivated(self, iValue): ddict = {} ddict['event'] = "fitFunctionChanged" ddict['fit_function'] = str(self.fitFunctionCombo.currentText()) self.sigFitFunctionDefinitionSignal.emit(ddict) def _backgroundComboActivated(self, iValue): ddict = {} ddict['event'] = "backgroundFunctionChanged" ddict['background_function'] = str(self.backgroundCombo.currentText()) self.sigFitFunctionDefinitionSignal.emit(ddict) def setSNIP(self, bValue): if bValue: self.snipWidthSpin.setEnabled(True) self.stripWidthSpin.setEnabled(False) self.stripIterSpin.setEnabled(False) self.stripCombo.setCurrentIndex(1) else: self.snipWidthSpin.setEnabled(False) self.stripWidthSpin.setEnabled(True) self.stripIterSpin.setEnabled(True) self.stripCombo.setCurrentIndex(0) def setFunctions(self, functionList): currentFunction = str(self.fitFunctionCombo.currentText()) currentBackground = str(self.backgroundCombo.currentText()) self.fitFunctionCombo.clear() self.backgroundCombo.clear() self.fitFunctionCombo.addItem('None') self.backgroundCombo.addItem('None') for key in functionList: self.fitFunctionCombo.addItem(str(key)) self.backgroundCombo.addItem(str(key)) #restore previous values idx = self.fitFunctionCombo.findText(currentFunction) self.fitFunctionCombo.setCurrentIndex(idx) idx = self.backgroundCombo.findText(currentBackground) self.backgroundCombo.setCurrentIndex(idx) def getFunctions(self): functionList = [] n = self.fitFunctionCombo.count() for i in range(n): if i == 0: continue functionList.append(str(self.fitFunctionCombo.itemText(i))) return functionList def setupFitFunction(self): print("FUNCTION SETUP CALLED") def setupBackground(self): print("Background SETUP CALLED") def setupStrip(self): ddict = {} ddict['event'] = "stripSetupCalled" ddict['strip_function'] = str(self.stripCombo.currentText()) ddict['stripalgorithm'] = self.stripCombo.currentIndex() self.sigFitFunctionDefinitionSignal.emit(ddict) class FitControl(qt.QGroupBox): def __init__(self, parent=None): qt.QGroupBox.__init__(self, parent) self.setTitle("Fit Control") self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(2, 2, 2, 2) self.mainLayout.setSpacing(2) row =0 #linear fit self.fitAlgorithmLabel = qt.QLabel(self) self.fitAlgorithmLabel.setText("Fit algorithm") self.fitAlgorithmCombo = qt.QComboBox(self) self.fitAlgorithmCombo.addItem(str("Levenberg-Marquardt")) self.fitAlgorithmCombo.addItem(str("Linear Fit")) self.mainLayout.addWidget(self.fitAlgorithmLabel, row, 0) self.mainLayout.addWidget(qt.HorizontalSpacer(self), row, 1) self.mainLayout.addWidget(self.fitAlgorithmCombo, row, 3) row += 1 #weighting self.weightLabel = qt.QLabel(self) self.weightLabel.setText("Statistical weighting of data") self.weightCombo = qt.QComboBox(self) self.weightCombo.addItem(str("NO Weight")) self.weightCombo.addItem(str("Poisson (1/Y)")) self.mainLayout.addWidget(self.weightLabel, row, 0) self.mainLayout.addWidget(qt.HorizontalSpacer(self), row, 1) self.mainLayout.addWidget(self.weightCombo, row, 3) row += 1 #function estimation policy self.functionEstimationLabel = qt.QLabel(self) self.functionEstimationLabel.setText("Function estimation policy") self.functionEstimationCombo = qt.QComboBox(self) self.functionEstimationCombo.addItem(str("Use configuration")) self.functionEstimationCombo.addItem(str("Estimate once")) self.functionEstimationCombo.addItem(str("Estimate always")) self.functionEstimationCombo.setCurrentIndex(2) self.mainLayout.addWidget(self.functionEstimationLabel, row, 0) self.mainLayout.addWidget(self.functionEstimationCombo, row, 3) row += 1 #background estimation policy self.backgroundEstimationLabel = qt.QLabel(self) text = "Background estimation policy" self.backgroundEstimationLabel.setText(text) self.backgroundEstimationCombo = qt.QComboBox(self) self.backgroundEstimationCombo.addItem(str("Use configuration")) self.backgroundEstimationCombo.addItem(str("Estimate once")) self.backgroundEstimationCombo.addItem(str("Estimate always")) self.backgroundEstimationCombo.setCurrentIndex(2) self.mainLayout.addWidget(self.backgroundEstimationLabel, row, 0) self.mainLayout.addWidget(self.backgroundEstimationCombo, row, 3) row += 1 #number of iterations self.iterLabel = qt.QLabel(self) self.iterLabel.setText(str("Maximum number of fit iterations")) self.iterSpin = qt.QSpinBox(self) self.iterSpin.setMinimum(1) self.iterSpin.setMaximum(10000) self.iterSpin.setValue(10) self.mainLayout.addWidget(self.iterLabel, row, 0) self.mainLayout.addWidget(qt.HorizontalSpacer(self), row, 1) self.mainLayout.addWidget(self.iterSpin, row, 3) row += 1 #chi square handling self.chi2Label = qt.QLabel(self) self.chi2Label.setText(str("Minimum chi^2 difference (%)")) if 0: self.chi2Value = qt.QLineEdit(self) self.chi2Value._v = qt.QDoubleValidator(self.chi2Value) self.chi2Value.setValidator(self.chi2Value._v) self.chi2Value.setText(str("0.001")) else: self.chi2Value = qt.QDoubleSpinBox(self) self.chi2Value.setDecimals(4) self.chi2Value.setMinimum(0.0001) self.chi2Value.setMaximum(100.) self.chi2Value.setSingleStep(0.0001) self.chi2Value.setValue(0.001) self.mainLayout.addWidget(self.chi2Label, row, 0) self.mainLayout.addWidget(qt.HorizontalSpacer(self), row, 1) self.mainLayout.addWidget(self.chi2Value, row, 3) row +=1 #fitting region self.regionTopLine = qt.QFrame(self) self.regionTopLine.setFrameShape(qt.QFrame.HLine) self.regionTopLine.setFrameShadow(qt.QFrame.Sunken) self.regionTopLine.setFrameShape(qt.QFrame.HLine) self.regionCheckBox = qt.QCheckBox(self) self.regionCheckBox.setText(str("Limit fitting region to :")) self.firstLabel = qt.QLabel(self) firstLabel_font = qt.QFont(self.firstLabel.font()) firstLabel_font.setItalic(1) self.firstLabel.setFont(firstLabel_font) self.firstLabel.setText(str("First X Value ")) self.firstLabel.setAlignment(qt.Qt.AlignVCenter | qt.Qt.AlignRight) self.firstValue = qt.QLineEdit(self) self.firstValue._v = qt.QDoubleValidator(self.firstValue) self.firstValue.setValidator(self.firstValue._v) self.firstValue.setText(str("0.")) self.lastLabel = qt.QLabel(self) lastLabel_font = qt.QFont(self.lastLabel.font()) lastLabel_font.setItalic(1) self.lastLabel.setFont(lastLabel_font) self.lastLabel.setText(str("Last X Value ")) self.lastLabel.setAlignment(qt.Qt.AlignVCenter | qt.Qt.AlignRight) self.lastValue = qt.QLineEdit(self) self.lastValue._v = qt.QDoubleValidator(self.lastValue) self.lastValue.setValidator(self.lastValue._v) self.lastValue.setText(str("1000.")) self.regionBottomLine = qt.QFrame(self) self.regionBottomLine.setFrameShape(qt.QFrame.HLine) self.regionBottomLine.setFrameShadow(qt.QFrame.Sunken) self.regionBottomLine.setFrameShape(qt.QFrame.HLine) self.mainLayout.addWidget(self.regionTopLine, row, 0, 1, 4) row += 1 self.mainLayout.addWidget(self.regionCheckBox,row, 0) self.mainLayout.addWidget(self.firstLabel, row, 1) self.mainLayout.addWidget(self.firstValue, row, 3) row += 1 self.mainLayout.addWidget(self.lastLabel, row, 1) self.mainLayout.addWidget(self.lastValue, row, 3) row += 1 self.mainLayout.addWidget(self.regionBottomLine, row, 0, 1, 4) row += 1 class SimpleFitControlWidget(qt.QWidget): sigFitControlSignal = qt.pyqtSignal(object) def __init__(self, parent = None): qt.QWidget.__init__(self, parent) self.mainLayout = qt. QVBoxLayout(self) self.mainLayout.setContentsMargins(2, 2, 2, 2) self.mainLayout.setSpacing(2) self.functionDefinitionWidget = FitFunctionDefinition(self) self.fitControlWidget = FitControl(self) self.mainLayout.addWidget(self.functionDefinitionWidget) self.mainLayout.addWidget(self.fitControlWidget) self.mainLayout.addWidget(qt.VerticalSpacer(self)) self.functionDefinitionWidget.sigFitFunctionDefinitionSignal.connect( \ self._functionDefinitionSlot) def _functionDefinitionSlot(self, ddict): self.sigFitControlSignal.emit(ddict) def setConfiguration(self, ddict0): if "fit" in ddict0: ddict = ddict0["fit"] else: ddict = ddict0 workingKeys = [] originalKeys = list(ddict.keys()) for key in originalKeys: workingKeys.append(key.lower()) #get current configuration current = self.getConfiguration() for key in list(current.keys()): #avoid case sensitivity problems lowerCaseKey = key.lower() if lowerCaseKey in workingKeys: idx = workingKeys.index(lowerCaseKey) current[key] = ddict[originalKeys[idx]] self._setConfiguration(current) def _setConfiguration(self, ddict): #all the keys will be present w = self.functionDefinitionWidget if 'functions' in ddict: w.setFunctions(ddict['functions']) if ddict['fit_function'] in [None, "None", "NONE"]: idx = 0 else: idx = w.fitFunctionCombo.findText(ddict['fit_function']) w.fitFunctionCombo.setCurrentIndex(idx) if ddict['background_function'] in [None, "None", "NONE"]: idx = 0 else: idx = w.backgroundCombo.findText(ddict['background_function']) w.backgroundCombo.setCurrentIndex(idx) if ddict['function_flag']: w.fitFunctionCheckBox.setChecked(True) else: w.fitFunctionCheckBox.setChecked(False) if ddict['strip_flag']: w.stripCheckBox.setChecked(True) else: w.stripCheckBox.setChecked(False) if ddict['background_flag']: w.backgroundCheckBox.setChecked(True) else: w.backgroundCheckBox.setChecked(False) if ddict['stripalgorithm'] in [0, 1, "0", "1"]: idx = int(ddict['stripalgorithm']) else: idx = w.stripCombo.findText(ddict['strip_function']) w.stripCombo.setCurrentIndex(idx) w.setSNIP(idx) w.snipWidthSpin.setValue(int(ddict["snipwidth"])) w.stripWidthSpin.setValue(int(ddict["stripwidth"])) w.stripFilterSpin.setValue(int(ddict["stripfilterwidth"])) w.stripIterSpin.setValue(int(ddict['stripiterations'])) ddict['stripconstant'] = 1.0 w.stripFilterSpin.setValue(int(ddict['stripfilterwidth'])) if int(ddict["stripanchorsflag"]): w.stripAnchorsCheckBox.setChecked(True) else: w.stripAnchorsCheckBox.setChecked(False) anchorslist = ddict.get("stripanchorslist", [0, 0, 0, 0]) anchorslist = ddict["stripanchorslist"] for lineEdit in w.stripAnchorsList: lineEdit.setText("0.0") i = 0 for value in anchorslist: w.stripAnchorsList[i].setText("%g" % float(value)) i += 1 w = self.fitControlWidget idx = w.fitAlgorithmCombo.findText(ddict['fit_algorithm']) w.fitAlgorithmCombo.setCurrentIndex(idx) idx = w.weightCombo.findText(ddict['weight']) w.weightCombo.setCurrentIndex(idx) text = ddict['function_estimation_policy'] idx = w.functionEstimationCombo.findText(text) w.functionEstimationCombo.setCurrentIndex(idx) text = ddict['background_estimation_policy'] idx = w.backgroundEstimationCombo.findText(text) w.backgroundEstimationCombo.setCurrentIndex(idx) w.iterSpin.setValue(int(ddict['maximum_fit_iterations'])) w.chi2Value.setValue(float(ddict['minimum_delta_chi'])) if ddict['use_limits']: w.regionCheckBox.setChecked(True) else: w.regionCheckBox.setChecked(False) w.firstValue.setText("%g" % float(ddict['xmin'])) w.lastValue.setText("%g" % float(ddict['xmax'])) return def getConfiguration(self): ddict = {} w = self.functionDefinitionWidget ddict['functions'] = w.getFunctions() ddict['fit_function'] = str(w.fitFunctionCombo.currentText()) ddict['strip_function'] = str(w.stripCombo.currentText()) ddict['stripalgorithm'] = w.stripCombo.currentIndex() ddict['background_function'] = str(w.backgroundCombo.currentText()) if w.fitFunctionCheckBox.isChecked(): ddict['function_flag'] = 1 else: ddict['function_flag'] = 0 if w.backgroundCheckBox.isChecked(): ddict['background_flag'] = 1 else: ddict['background_flag'] = 0 if w.stripCheckBox.isChecked(): ddict['strip_flag'] = 1 else: ddict['strip_flag'] = 0 ddict['snipwidth'] = w.snipWidthSpin.value() ddict['stripwidth'] = w.stripWidthSpin.value() ddict['stripiterations'] = w.stripIterSpin.value() ddict['stripconstant'] = 1.0 ddict['stripfilterwidth'] = w.stripFilterSpin.value() if w.stripAnchorsCheckBox.isChecked(): ddict['stripanchorsflag'] = 1 else: ddict['stripanchorsflag'] = 0 ddict["stripanchorslist"] = [] for lineEdit in w.stripAnchorsList: text = str(lineEdit.text()) if not len(text): text = 0.0 ddict["stripanchorslist"].append(float(text)) w = self.fitControlWidget ddict['fit_algorithm'] = str(w.fitAlgorithmCombo.currentText()) ddict['weight'] = str(w.weightCombo.currentText()) text = str(w.functionEstimationCombo.currentText()) ddict['function_estimation_policy'] = text text = str(w.backgroundEstimationCombo.currentText()) ddict['background_estimation_policy'] = text ddict['maximum_fit_iterations'] = w.iterSpin.value() ddict['minimum_delta_chi'] = w.chi2Value.value() if w.regionCheckBox.isChecked(): ddict['use_limits'] = 1 else: ddict['use_limits'] = 0 ddict['xmin'] = float(str(w.firstValue.text())) ddict['xmax'] = float(str(w.lastValue.text())) return ddict def test(): app = qt.QApplication(sys.argv) app.lastWindowClosed.connect(app.quit) wid = SimpleFitControlWidget() ddict = {} ddict['stripwidth'] = 4 ddict['stripiterations'] = 4000 ddict['stripconstant'] = 1.0 ddict['stripfilterwidth'] = 3 ddict['stripanchorsflag'] = 1 ddict['stripanchorslist'] = [0, 1, 2, 3] ddict['use_limits'] = 1 ddict['xmin'] = 1 ddict['xmax'] = 1024 wid.setConfiguration(ddict) wid.show() app.exec_() if __name__=="__main__": test() PyMca5-5.2.2/PyMca5/PyMcaGui/math/PCAWindow.py0000644000276300001750000006741513136054446020620 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2015 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import numpy from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaGui import PyMca_Icons IconDict = PyMca_Icons.IconDict from PyMca5.PyMcaGui import MaskImageWidget from PyMca5.PyMcaGui import ScanWindow from PyMca5.PyMcaMath.mva import PCAModule from PyMca5.PyMcaGui import ScatterPlotCorrelatorWidget if hasattr(qt, "QString"): QString = qt.QString else: QString = str MDP = PCAModule.MDP MATPLOTLIB = MaskImageWidget.MATPLOTLIB QTVERSION = MaskImageWidget.QTVERSION class PCAParametersDialog(qt.QDialog): def __init__(self, parent=None, options=[1, 2, 3, 4, 5, 10], regions=False, index=-1): qt.QDialog.__init__(self, parent) self.setWindowTitle("PCA Configuration Dialog") self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(11, 11, 11, 11) self.mainLayout.setSpacing(0) self.methodOptions = qt.QGroupBox(self) self.methodOptions.setTitle('PCA Method to use') self.methods = ['Covariance', 'Expectation Max.', 'Cov. Multiple Arrays'] self.functions = [PCAModule.numpyPCA, PCAModule.expectationMaximizationPCA, PCAModule.multipleArrayPCA] self.methodOptions.mainLayout = qt.QGridLayout(self.methodOptions) self.methodOptions.mainLayout.setContentsMargins(0, 0, 0, 0) self.methodOptions.mainLayout.setSpacing(2) #this does not seem to bring any advantage if 0: self.methods.append("Covariance Numpy") self.functions.append(PCAModule.numpyPCA) if MDP and (index != 0): #self.methods.append("MDP (PCA + ICA)") self.methods.append("MDP (SVD float32)") self.methods.append("MDP (SVD float64)") self.methods.append("MDP ICA (float32)") self.methods.append("MDP ICA (float64)") self.functions.append(PCAModule.mdpPCASVDFloat32) self.functions.append(PCAModule.mdpPCASVDFloat64) self.functions.append(PCAModule.mdpICAFloat32) self.functions.append(PCAModule.mdpICAFloat64) self.buttonGroup = qt.QButtonGroup(self.methodOptions) i = 0 for item in self.methods: rButton = qt.QRadioButton(self.methodOptions) self.methodOptions.mainLayout.addWidget(rButton, 0, i) #self.l.setAlignment(rButton, qt.Qt.AlignHCenter) if i == 1: rButton.setChecked(True) rButton.setText(item) self.buttonGroup.addButton(rButton) self.buttonGroup.setId(rButton, i) i += 1 self.buttonGroup.buttonPressed[int].connect(self._slot) self.mainLayout.addWidget(self.methodOptions) #built in speed options self.speedOptions = qt.QGroupBox(self) self.speedOptions.setTitle("Speed Options") self.speedOptions.mainLayout = qt.QGridLayout(self.speedOptions) self.speedOptions.mainLayout.setContentsMargins(0, 0, 0, 0) self.speedOptions.mainLayout.setSpacing(2) labelPC = qt.QLabel(self) labelPC.setText("Number of PC:") self.nPC = qt.QSpinBox(self.speedOptions) self.nPC.setMinimum(0) self.nPC.setValue(10) self.nPC.setMaximum(40) self.binningLabel = qt.QLabel(self.speedOptions) self.binningLabel.setText("Spectral Binning:") self.binningCombo = qt.QComboBox(self.speedOptions) for option in options: self.binningCombo.addItem("%d" % option) self.speedOptions.mainLayout.addWidget(labelPC, 0, 0) self.speedOptions.mainLayout.addWidget(self.nPC, 0, 1) #self.speedOptions.mainLayout.addWidget(qt.HorizontalSpacer(self), 0, 2) self.speedOptions.mainLayout.addWidget(self.binningLabel, 1, 0) self.speedOptions.mainLayout.addWidget(self.binningCombo, 1, 1) self.binningCombo.setEnabled(False) self.binningCombo.activated[int].connect( \ self._updatePlotFromBinningCombo) if regions: self.__regions = True self.__addRegionsWidget() else: self.__regions = False #the optional plot self.graph = None #the OK button hbox = qt.QWidget(self) hboxLayout = qt.QHBoxLayout(hbox) hboxLayout.setContentsMargins(0, 0, 0, 0) hboxLayout.setSpacing(0) self.okButton = qt.QPushButton(hbox) self.okButton.setText("Accept") self.okButton.setAutoDefault(False) hboxLayout.addWidget(qt.HorizontalSpacer(hbox)) hboxLayout.addWidget(self.okButton) hboxLayout.addWidget(qt.HorizontalSpacer(hbox)) self.mainLayout.addWidget(self.speedOptions) if regions: self.mainLayout.addWidget(self.regionsWidget) self.mainLayout.addWidget(hbox) if self.graph is not None: self.mainLayout.addWidget(self.graph) self.okButton.clicked.connect(self.accept) def __addRegionsWidget(self): #Region handling self.regionsWidget = RegionsWidget(self) self.regionsWidget.setEnabled(True) self.regionsWidget.sigRegionsWidgetSignal.connect( \ self.regionsWidgetSlot) #the plot self.graph = ScanWindow.ScanWindow(self) self.graph.setEnabled(False) self.graph.sigPlotSignal.connect(self._graphSlot) if not self.__regions: #I am adding after instantiation self.mainLayout.insertWidget(2,self.regionsWidget) self.mainLayout.addWidget(self.graph) self.__regions = True def regionsWidgetSlot(self, ddict): if ddict["nRegions"] > 0: fromValue = ddict['from'] toValue = ddict['to'] self.graph.setEnabled(True) self.graph.clearMarkers() self.graph.insertXMarker(fromValue, 'From', text='From', color='blue', draggable=True) self.graph.insertXMarker(toValue, 'To', text= 'To', color='blue', draggable=True) self.graph.replot() else: self.graph.clearMarkers() self.graph.setEnabled(False) def _graphSlot(self, ddict): if ddict['event'] == "markerMoved": marker = ddict['label'] value = ddict['x'] signal = False if marker == "From": self.regionsWidget.fromLine.setText("%f" % value) elif marker == "To": self.regionsWidget.toLine.setText("%f" % value) else: signal = True self.regionsWidget._editingSlot(signal=signal) def _slot(self, index): button = self.buttonGroup.button(index) button.setChecked(True) self.binningLabel.setText("Spectral Binning:") if index != 2: self.binningCombo.setEnabled(True) else: self.binningCombo.setEnabled(False) if self.__regions: if index != 2: self.regionsWidget.setEnabled(True) self.graph.setEnabled(True) else: self.regionsWidget.setEnabled(False) self.graph.setEnabled(False) return def setSpectrum(self, x, y, legend=None, info=None): if self.graph is None: self.__addRegionsWidget() if legend is None: legend = "Current Active Spectrum" if info is None: info = {} if not isinstance(x, numpy.ndarray): x = numpy.array(x) y = numpy.array(y) self._x = x self._y = y self.regionsWidget.setLimits(x.min(), x.max()) self._legend = legend self._info = info self.updatePlot() def getSpectrum(self, binned=False): if binned: return self._binnedX, self._binnedY, self._legend, self._info else: return self._x, self._y, self._legend, self._info # value unused, but received with the Qt signal def _updatePlotFromBinningCombo(self, value): if self.graph is None: return self.updatePlot() def updatePlot(self): binning = int(self.binningCombo.currentText()) x = self._x * 1.0 y = self._y * 1.0 x.shape = 1, -1 y.shape = 1, -1 r, c = x.shape x.shape = r, int(c / binning), binning y.shape = r, int(c / binning), binning x = x.sum(axis=-1, dtype=numpy.float32) / binning y = y.sum(axis=-1, dtype=numpy.float32) x.shape = -1 y.shape = -1 self._binnedX = x self._binnedY = y self.graph.addCurve(x, y, legend=self._legend, replace=True) def setParameters(self, ddict): if 'options' in ddict: self.binningCombo.clear() for option in ddict['options']: self.binningCombo.addItem("%d" % option) if 'binning' in ddict: option = "%d" % ddict['binning'] for i in range(self.binningCombo.count()): if str(self.binningCombo.itemText(i)) == option: self.binningCombo.setCurrentIndex(i) if 'npc' in ddict: self.nPC.setValue(ddict['npc']) if 'method' in ddict: self.buttonGroup.buttons()[ddict['method']].setChecked(True) if ddict['method'] != 2: self.binningCombo.setEnabled(True) else: self.binningCombo.setEnabled(False) if 'regions' in ddict: self.regionsWidget.setRegions(regions) return def getParameters(self): ddict = {} ddict['binning'] = int(self.binningCombo.currentText()) ddict['npc'] = self.nPC.value() i = self.buttonGroup.checkedId() ddict['method'] = i ddict['methodlabel'] = self.methods[i] ddict['function'] = self.functions[i] mask = None if self.__regions: regions = self.regionsWidget.getRegions() if not len(regions): mask = None else: mask = numpy.zeros(self._binnedX.shape, dtype=numpy.uint8) for region in regions: mask[(self._binnedX >= region[0]) *\ (self._binnedX <= region[1])] = 1 ddict['regions'] = regions # try to simplify life to the caller but can be hard if # spectral_binning has been applied because of the ambiguity # about if the spectral_mask is to be applied before or after # binning. The use of the 'regions' should be less prone to errors ddict['spectral_mask'] = mask else: ddict['regions'] = [] ddict['spectral_mask'] = mask return ddict class RegionsWidget(qt.QGroupBox): sigRegionsWidgetSignal = qt.pyqtSignal(object) def __init__(self, parent=None, nregions=10, limits=[0.0, 1000.]): qt.QGroupBox.__init__(self, parent) self.setTitle('Spectral Regions') self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) if nregions % 2: nregions += 1 self.nRegions = nregions self.regionList = [] self.__limits = [limits[0], limits[1]] # Nice hint -> What about: # self.regionList.extend([[limits[0], limits[1]] * self.nRegions) # instead of this loop with the useless i? for i in range(self.nRegions): self.regionList.append([limits[0], limits[1]]) self.nRegionsLabel = qt.QLabel(self) self.nRegionsLabel.setText("Number of Regions:") self.nRegionsSpinBox = qt.QSpinBox(self) self.nRegionsSpinBox.setMinimum(0) self.nRegionsSpinBox.setValue(0) self.nRegionsSpinBox.setMaximum(self.nRegions) self.mainLayout.addWidget(self.nRegionsLabel, 0, 0) self.mainLayout.addWidget(self.nRegionsSpinBox, 0, 1) self.nRegionsSpinBox.valueChanged[int].connect(self._regionsChanged) self.currentRegionLabel = qt.QLabel(self) self.currentRegionLabel.setText("Current Region:") self.currentRegionSpinBox = qt.QSpinBox(self) self.currentRegionSpinBox.setMinimum(1) self.currentRegionSpinBox.setValue(1) self.currentRegionSpinBox.setMaximum(1) self.mainLayout.addWidget(self.currentRegionLabel, 0, 2) self.mainLayout.addWidget(self.currentRegionSpinBox, 0, 3) self.currentRegionSpinBox.valueChanged[int].connect(self._currentRegionChanged) label = qt.QLabel(self) label.setText("From:") self.fromLine = qt.QLineEdit(self) self.fromLine.setText("%f" % limits[0]) self.fromLine._v = qt.QDoubleValidator(self.fromLine) self.fromLine.setValidator(self.fromLine._v) self.mainLayout.addWidget(label, 0, 4) self.mainLayout.addWidget(self.fromLine, 0, 5) self.fromLine.editingFinished[()].connect(self._editingSlot) label = qt.QLabel(self) label.setText("To:") self.toLine = qt.QLineEdit(self) self.toLine.setText("%f" % limits[1]) self.toLine._v = qt.QDoubleValidator(self.toLine) self.toLine.setValidator(self.toLine._v) self.mainLayout.addWidget(label, 0, 6) self.mainLayout.addWidget(self.toLine, 0, 7) self.toLine.editingFinished[()].connect(self._editingSlot) self._regionsChanged(0) def setLimits(self, xmin, xmax): for i in range(len(self.regionList)): self.regionList[i][0] = max(self.regionList[i][0], xmin) self.regionList[i][1] = min(self.regionList[i][1], xmax) self.__limits = [xmin, xmax] current = self.currentRegionSpinBox.value() self._currentRegionChanged(current) def _regionsChanged(self, value): if value == 0: self.toLine.setDisabled(True) self.fromLine.setDisabled(True) self.currentRegionSpinBox.setDisabled(True) else: current = self.currentRegionSpinBox.value() self.currentRegionSpinBox.setMaximum(value) self.toLine.setDisabled(False) self.fromLine.setDisabled(False) self.currentRegionSpinBox.setDisabled(False) if current > value: self.currentRegionSpinBox.setValue(value) self._currentRegionChanged(value) def _currentRegionChanged(self, value): if value > 0: fromValue, toValue = self.regionList[value - 1] self.fromLine.setText("%f" % fromValue) self.toLine.setText("%f" % toValue) self.mySignal() def _editingSlot(self, signal=True): current = self.currentRegionSpinBox.value() - 1 self.regionList[current][0] = float(str(self.fromLine.text())) self.regionList[current][1] = float(str(self.toLine.text())) if self.regionList[current][0] < self.__limits[0]: self.regionList[current][0] = self.__limits[0] if self.regionList[current][1] > self.__limits[1]: self.regionList[current][1] = self.__limits[1] if signal: self.mySignal() def mySignal(self): current = self.currentRegionSpinBox.value() - 1 ddict={} ddict['event'] = 'regionChanged' ddict['nRegions'] = self.nRegionsSpinBox.value() ddict['current'] = current if current >= 0: ddict['from'] = self.regionList[current][0] ddict['to'] = self.regionList[current][1] self.sigRegionsWidgetSignal.emit(ddict) def getRegions(self): nRegions = self.nRegionsSpinBox.value() regions = [] if nRegions > 0: for i in range(nRegions): regions.append(self.regionList[i]) return regions def setRegions(self, regionList=None): """ :param regionList: List of couple of "from" and to "values" :type param: List """ if regionList is None: regionList = [] nRegions = len(regionList) # the number of regions is small so, we can afford to loop # instead of a direct copy self.regionList = [] for i in range(nRegions): fromValue, toValue = regionList[i] self.regionList.append([fromValue, toValue]) self.currentRegionSpinBox.setValue(nRegions) if nRegions > 0: self._editingSlot(signal=False) self._regionsChanged(self, nRegions) class PCAWindow(MaskImageWidget.MaskImageWidget): def __init__(self, *var, **kw): ddict = {} ddict['usetab'] = True ddict.update(kw) ddict['standalonesave'] = False MaskImageWidget.MaskImageWidget.__init__(self, *var, **ddict) self.slider = qt.QSlider(self) self.slider.setOrientation(qt.Qt.Horizontal) self.slider.setMinimum(0) self.slider.setMaximum(0) # The 1D graph self.vectorGraph = ScanWindow.ScanWindow(self) self.mainTab.addTab(self.vectorGraph, "VECTORS") self.mainLayout.addWidget(self.slider) self.slider.valueChanged[int].connect(self._showImage) self.imageList = None self.imageNames=None self.eigenValues = None self.eigenVectors = None self.vectorNames = None self.vectorGraphTitles = None standalonesave = kw.get("standalonesave", True) if standalonesave: self.graphWidget.saveToolButton.clicked.connect( \ self._saveToolButtonSignal) self._saveMenu = qt.QMenu() self._saveMenu.addAction(QString("Image Data"), self.saveImageList) self._saveMenu.addAction(QString("Standard Graphics"), self.graphWidget._saveIconSignal) if MATPLOTLIB: self._saveMenu.addAction(QString("Matplotlib") , self._saveMatplotlibImage) self.multiplyIcon = qt.QIcon(qt.QPixmap(IconDict["swapsign"])) infotext = "Multiply image by -1" self.multiplyButton = self.graphWidget._addToolButton(\ self.multiplyIcon, self._multiplyIconChecked, infotext, toggle=False, position=12) # The density plot widget self.scatterPlotWidget = ScatterPlotCorrelatorWidget.ScatterPlotCorrelatorWidget(None, labels=["Legend", "X", "Y"], types=["Text", "RadioButton", "RadioButton"], maxNRois=1) self.__scatterPlotWidgetDataToUpdate = True self.__maskToScatterConnected = True self.sigMaskImageWidgetSignal.connect(self._internalSlot) self.scatterPlotWidget.sigMaskScatterWidgetSignal.connect( \ self._internalSlot) # add the command to show it to the menu if hasattr(self, "_additionalSelectionMenu"): self.additionalSelectionMenu().addAction(\ QString("Show scatter plot"), self.showScatterPlot) def sizeHint(self): return qt.QSize(400, 400) def _multiplyIconChecked(self): if self.imageList is None: return index = self.slider.value() self.imageList[index] *= -1 if self.eigenVectors is not None: self.eigenVectors[index] *= -1 self._showImage(index) self.__scatterPlotWidgetDataToUpdate = True self._updateScatterPlotWidget() def _showImage(self, index): if self.eigenVectors is not None: legend = self.vectorNames[index] y = self.eigenVectors[index] if self.vectorGraphTitles is not None: self.vectorGraph.setGraphTitle(self.vectorGraphTitles[index]) self.vectorGraph.addCurve(range(len(y)), y, legend, replace=True) if len(self.imageList): self.showImage(index, moveslider=False) def showImage(self, index=0, moveslider=True): if self.imageList is None: return if len(self.imageList) == 0: return self.graphWidget.graph.setGraphTitle(self.imageNames[index]) self.setImageData(self.imageList[index]) if moveslider: self.slider.setValue(index) def setPCAData(self, images, eigenvalues=None, eigenvectors=None, imagenames=None, vectornames=None): self.eigenValues = eigenvalues self.eigenVectors = eigenvectors if type(images) == type([]): self.imageList = images elif len(images.shape) == 3: nimages = images.shape[0] self.imageList = [0] * nimages for i in range(nimages): self.imageList[i] = images[i, :] if self.imageList[i].max() < 0: self.imageList[i] *= -1 if self.eigenVectors is not None: self.eigenVectors[i] *= -1 if imagenames is None: self.imageNames = [] for i in range(nimages): self.imageNames.append("Eigenimage %02d" % i) else: self.imageNames = imagenames if self.imageList is not None: self.slider.setMaximum(len(self.imageList) - 1) self.showImage(0) else: self.slider.setMaximum(0) if self.eigenVectors is not None: if vectornames is None: self.vectorNames = [] for i in range(nimages): self.vectorNames.append("Component %02d" % i) else: self.vectorNames = vectornames legend = self.vectorNames[0] y = self.eigenVectors[0] self.vectorGraph.newCurve(range(len(y)), y, legend, replace=True) self.slider.setValue(0) self.__scatterPlotWidgetDataToUpdate = True self._updateScatterPlotWidget() def _updateScatterPlotWidget(self): w = self.scatterPlotWidget if self.__scatterPlotWidgetDataToUpdate: for i in range(len(self.imageNames)): w.addSelectableItem(self.imageList[i], self.imageNames[i]) self.__scatterPlotWidgetDataToUpdate = False w.setPolygonSelectionMode() w.setSelectionMask(self.getSelectionMask()) def _internalSlot(self, ddict): if ddict["id"] == id(self): # signal generated by this instance # only the the scatter plot to be updated unless hidden if self.scatterPlotWidget.isHidden(): return if ddict["event"] in ["selectionMaskChanged", "resetSelection", "invertSelection"]: mask = self.getSelectionMask() if mask is None: mask = numpy.zeros(self.imageList[0].shape, numpy.uint8) self.scatterPlotWidget.setSelectionMask(mask) elif ddict["id"] == id(self.scatterPlotWidget): # signal generated by the scatter plot if ddict["event"] in ["selectionMaskChanged", "resetSelection", "invertSelection"]: mask = self.scatterPlotWidget.getSelectionMask() super(PCAWindow, self).setSelectionMask(mask, plot=True) ddict["id"] = id(self) try: self.__maskToScatterConnected = False self.sigMaskImageWidgetSignal.emit(ddict) finally: self.__maskToScatterConnected = True def setSelectionMask(self, *var, **kw): super(PCAWindow, self).setSelectionMask(*var, **kw) if not self.scatterPlotWidget.isHidden(): self._updateScatterPlotWidget() def saveImageList(self, filename=None, imagelist=None, labels=None): if self.imageList is None: return labels = [] for i in range(len(self.imageList)): labels.append(self.imageNames[i].replace(" ", "_")) return MaskImageWidget.MaskImageWidget.saveImageList(self, imagelist=self.imageList, labels=labels) def setImageList(self, imagelist): self.imageList = imagelist self.eigenValues = None self.eigenVectors = None if imagelist is not None: self.slider.setMaximum(len(self.imageList) - 1) self.showImage(0) def showScatterPlot(self): if self.scatterPlotWidget.isHidden(): # it needs update self._updateScatterPlotWidget() self.scatterPlotWidget.show() # make sure it is visible self.scatterPlotWidget.raise_() def test2(): app = qt.QApplication([]) app.lastWindowClosed.connect(app.quit) dialog = PCAParametersDialog() dialog.setParameters({'options': [1,3,5,7,9], 'method': 1, 'npc': 8, 'binning': 3}) dialog.setModal(True) ret = dialog.exec_() if ret: dialog.close() print(dialog.getParameters()) def test(): app = qt.QApplication([]) app.lastWindowClosed.connect(app.quit) container = PCAWindow() data = numpy.arange(20000) data.shape = 2, 100, 100 data[1, 0:100, 0:50] = 100 container.setPCAData(data, eigenvectors=[numpy.arange(100.), numpy.arange(100.) + 10], imagenames=["I1", "I2"], vectornames=["V1", "V2"]) container.show() def theSlot(ddict): print(ddict['event']) container.sigMaskImageWidgetSignal.connect(theSlot) app.exec_() if __name__ == "__main__": test() PyMca5-5.2.2/PyMca5/PyMcaGui/math/PCADialog.py0000644000276300001750000003070013136054446020533 0ustar solebliss00000000000000#!/usr/bin/env python #/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import time import numpy from PyMca5.PyMcaGui import PyMcaQt as qt try: from . import PCAWindow PCA = True MDP = PCAWindow.MDP except ImportError: PCA = False MDP = False DEBUG = 0 class SimpleThread(qt.QThread): def __init__(self, function, *var, **kw): if kw is None: kw = {} qt.QThread.__init__(self) self._function = function self._var = var self._kw = kw self._result = None def run(self): if DEBUG: self._result = self._function(*self._var, **self._kw) else: try: self._result = self._function(*self._var, **self._kw) except: self._result = ("Exception",) + sys.exc_info() class PCADialog(qt.QDialog): def __init__(self, parent=None, rgbwidget=None, selection=False): qt.QDialog.__init__(self, parent) self.setWindowTitle("PCA calculation dialog") self.mainLayout = qt.QVBoxLayout(self) self.calculateButton = qt.QPushButton(self) self.calculateButton.setAutoDefault(False) self.calculateButton.setText("Perform PCA") self.showLastButton = qt.QPushButton(self) self.showLastButton.setAutoDefault(False) self.showLastButton.setText("Last Results") self.mainLayout.addWidget(self.calculateButton) self.mainLayout.addWidget(self.showLastButton) self._data = None self.pcaWindow = PCAWindow.PCAWindow(parent=None, rgbwidget=rgbwidget, #selection=True, selection=selection, colormap=True, #imageicons=True, imageicons=selection, standalonesave=True) self.pcaWindow.setDefaultColormap(0, logflag=False) self.pcaParametersDialog = PCAWindow.PCAParametersDialog(self) self.pcaParametersDialog.nPC.setMaximum(11) self.pcaParametersDialog.nPC.setValue(10) self.pcaParametersDialog.hide() self.pcaParametersDialogInitialized = False self.pcaWindow.hide() #connections self.calculateButton.clicked.connect(self._calculateSlot) self.showLastButton.clicked.connect(self._showLastSlot) def sizeHint(self): return qt.QSize(int(4 * qt.QDialog.sizeHint(self).width()), qt.QDialog.sizeHint(self).height()) def _calculateSlot(self): if self._data is None: msg = qt.QMessageBox(self) msg.setWindowTitle("No data") msg.setIcon(qt.QMessageBox.Information) msg.setText("No data to perform calculation") msg.exec_() return if not self.pcaParametersDialogInitialized: self.pcaParametersDialog.nPC.setMaximum(self._spectrumLength) self.pcaParametersDialog.nPC.setValue( min(10, self._spectrumLength)) ddict = {'options': self._binningOptions, 'binning': 1, 'method': 0} self.pcaParametersDialog.setParameters(ddict) self.pcaParametersDialogInitialized = True ret = self.pcaParametersDialog.exec_() if ret: if DEBUG: t0 = time.time() pcaParameters = self.pcaParametersDialog.getParameters() self.pcaParametersDialog.close() function = pcaParameters['function'] binning = pcaParameters['binning'] npc = pcaParameters['npc'] mask = pcaParameters.get('mask', None) kw = pcaParameters.get('kw', {}) data = self._data old_shape = self._data.shape if mask is not None: if mask.sum() < npc: msg = qt.QMessageBox(self) msg.setWindowTitle("Not enough data") msg.setIcon(qt.QMessageBox.Information) msg.setText("Number of components too high") msg.exec_() return if DEBUG: images, eigenvalues, eigenvectors = function(data, npc, binning=binning, mask=mask, **kw) else: try: threadResult = self._submitThread(function, data, npc, binning=binning, mask=mask, **kw) if type(threadResult) == type((1,)): if len(threadResult): if threadResult[0] == "Exception": raise Exception(threadResult[1], threadResult[2]) images, eigenvalues, eigenvectors = threadResult except: if isinstance(data, numpy.ndarray): self._data.shape = old_shape msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("%s" % sys.exc_info()[1]) msg.exec_() return if isinstance(self._data, numpy.ndarray): self._data.shape = old_shape if DEBUG: print("PCA Elapsed = ", time.time() - t0) methodlabel = pcaParameters.get('methodlabel', "") imagenames = None vectornames = None if " ICA " in methodlabel: nimages = images.shape[0] imagenames = [] vectornames = [] itmp = int(nimages / 2) for i in range(itmp): imagenames.append("ICAimage %02d" % i) vectornames.append("ICAvector %02d" % i) for i in range(itmp): imagenames.append("Eigenimage %02d" % i) vectornames.append("Eigenvector %02d" % i) self.pcaWindow.setPCAData(images, eigenvalues, eigenvectors, imagenames=imagenames, vectornames=vectornames) self.pcaWindow.show() self.pcaWindow.raise_() def _showLastSlot(self): self.pcaWindow.show() self.pcaWindow.raise_() def setData(self, data=None, spectrumindex=-1): if type(data) == type([]): #assume is an image list if data[0].dtype not in [numpy.float32, numpy.float64]: dtype = numpy.float64 else: dtype = data[0].dtype self._spectrumLength = len(data) self._shape = data[0].shape n = 1 for shape in self._shape: n *= shape self._binningOptions = [1] if len(self._shape) == 1: self._data = numpy.zeros((self._shape[0], self._spectrumLength), dtype) for i in range(self._spectrumLength): self._data[:, i] = data[i][:] elif len(self._shape) == 2: self._data = numpy.zeros((self._shape[0], self._shape[1], self._spectrumLength), dtype) for i in range(self._spectrumLength): self._data[:, :, i] = data[i][:, :] else: self._shape = data.shape self._data = data self._spectrumLength = self._shape[spectrumindex] self._binningOptions = [1] for number in [2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 13, 15, 17, 19]: if (self._spectrumLength % number) == 0: self._binningOptions.append(number) if self.pcaParametersDialog is not None: value = self.pcaParametersDialog.nPC.value() self.pcaParametersDialog.nPC.setMaximum(self._spectrumLength) self.pcaParametersDialog.nPC.setValue(min(value, self._spectrumLength)) def setSpectrum(self, x, y, legend=None): return self.pcaParametersDialog.setSpectrum(x, y, legend=legend) def _submitThread(self, function, *var, **kw): message = "Please Wait: PCA Going On" sthread = SimpleThread(function, *var, **kw) return self._startThread(sthread, message) def _startThread(self, sthread, message): sthread.start() msg = qt.QDialog(self, qt.Qt.FramelessWindowHint) msg.setModal(1) msg.setWindowTitle("Please Wait") layout = qt.QHBoxLayout(msg) layout.setContentsMargins(0, 0, 0, 0) layout.setSpacing(0) l1 = qt.QLabel(msg) l1.setFixedWidth(l1.fontMetrics().width('##')) l2 = qt.QLabel(msg) l2.setText("%s" % message) l3 = qt.QLabel(msg) l3.setFixedWidth(l3.fontMetrics().width('##')) layout.addWidget(l1) layout.addWidget(l2) layout.addWidget(l3) msg.show() qApp = qt.QApplication.instance() qApp.processEvents() i = 0 ticks = ['-', '\\', "|", "/", "-", "\\", '|', '/'] while (sthread.isRunning()): i = (i + 1) % 8 l1.setText(ticks[i]) l3.setText(" " + ticks[i]) qApp = qt.QApplication.instance() qApp.processEvents() time.sleep(2) msg.close() result = sthread._result del sthread self.raise_() return result if __name__ == "__main__": DEBUG = 1 import os from PyMca5.PyMcaIO import EdfFile app = qt.QApplication([]) app.lastWindowClosed.connect(app.quit) d = PCADialog() if len(sys.argv) < 2: fileList = ["D:\DATA\ICA\mix1.edf", "D:\DATA\ICA\mix2.edf", "D:\DATA\ICA\mix3.edf"] else: fileList = [] for i in range(1, len(sys.argv)): fileList.append(sys.argv[i]) imageList = [] for fname in fileList: print(fname) if not os.path.exists(fname): print("File name %s does not exists" % fname) break edf = EdfFile.EdfFile(fname) data = edf.GetData(0) edf = None imageList.append(data) if len(imageList): d.setData(imageList) d.show() app.exec_() PyMca5-5.2.2/PyMca5/PyMcaCore/0000755000276300001750000000000013205526235015646 5ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/PyMcaCore/PyMcaMatplotlibSave.py0000644000276300001750000006045413136054446022114 0ustar solebliss00000000000000#!/usr/bin/env python #/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import os import numpy from matplotlib import cm from matplotlib import __version__ as matplotlib_version from matplotlib.font_manager import FontProperties from matplotlib.backends.backend_agg import FigureCanvasAgg as FigureCanvas from matplotlib.figure import Figure from matplotlib.colors import LinearSegmentedColormap, LogNorm, Normalize from matplotlib.ticker import MaxNLocator, AutoLocator DEBUG = 0 colordict = {} colordict['blue'] = '#0000ff' colordict['red'] = '#ff0000' colordict['green'] = '#00ff00' colordict['black'] = '#000000' colordict['white'] = '#ffffff' colordict['pink'] = '#ff66ff' colordict['brown'] = '#a52a2a' colordict['orange'] = '#ff9900' colordict['violet'] = '#6600ff' colordict['grey'] = '#808080' colordict['yellow'] = '#ffff00' colordict['darkgreen'] = 'g' colordict['darkbrown'] = '#660000' colordict['magenta'] = 'm' colordict['cyan'] = 'c' colordict['bluegreen'] = '#33ffff' colorlist = [colordict['black'], colordict['red'], colordict['blue'], colordict['green'], colordict['pink'], colordict['brown'], colordict['cyan'], colordict['orange'], colordict['violet'], colordict['bluegreen'], colordict['grey'], colordict['magenta'], colordict['darkgreen'], colordict['darkbrown'], colordict['yellow']] class PyMcaMatplotlibSave(FigureCanvas): def __init__(self, size = (7,3.5), logx = False, logy = False, legends = True, bw = False): self.fig = Figure(figsize=size) #in inches FigureCanvas.__init__(self, self.fig) self._logX = logx self._logY = logy self._bw = bw self._legend = legends self._legendList = [] self._dataCounter = 0 if not legends: if self._logY: ax = self.fig.add_axes([.15, .15, .75, .8]) else: ax = self.fig.add_axes([.15, .15, .75, .75]) else: if self._logY: ax = self.fig.add_axes([.15, .15, .7, .8]) else: ax = self.fig.add_axes([.15, .15, .7, .8]) ax.set_axisbelow(True) self.ax = ax if self._logY: self._axFunction = ax.semilogy else: self._axFunction = ax.plot if self._bw: self.colorList = ['k'] #only black self.styleList = ['-', ':', '-.', '--'] self.nColors = 1 else: self.colorList = colorlist self.styleList = ['-', '-.', ':'] self.nColors = len(colorlist) self.nStyles = len(self.styleList) self.colorIndex = 0 self.styleIndex = 0 self.xmin = None self.xmax = None self.ymin = None self.ymax = None self.limitsSet = False def setLimits(self, xmin, xmax, ymin, ymax): self.xmin = xmin self.xmax = xmax self.ymin = ymin self.ymax = ymax self.limitsSet = True def _filterData(self, x, y): index = numpy.flatnonzero((self.xmin <= x) & (x <= self.xmax)) x = numpy.take(x, index) y = numpy.take(y, index) index = len(index) if index: index = numpy.flatnonzero((self.ymin <= y) & (y <= self.ymax)) index = len(index) return index def _getColorAndStyle(self): color = self.colorList[self.colorIndex] style = self.styleList[self.styleIndex] self.colorIndex += 1 if self.colorIndex >= self.nColors: self.colorIndex = 0 self.styleIndex += 1 if self.styleIndex >= self.nStyles: self.styleIndex = 0 return color, style def addDataToPlot(self, x, y, legend = None, color = None, linewidth = None, linestyle = None, **kw): n = max(x.shape) if self.limitsSet is not None: n = self._filterData(x, y) if n == 0: #nothing to plot if DEBUG: print("nothing to plot") return style = None if color is None: color, style = self._getColorAndStyle() if linestyle is None: if style is None: style = '-' else: style = linestyle if linewidth is None:linewidth = 1.0 self._axFunction( x, y, linestyle = style, color=color, linewidth = linewidth, **kw) self._dataCounter += 1 if legend is None: #legend = "%02d" % self._dataCounter #01, 02, 03, ... legend = "%c" % (96+self._dataCounter) #a, b, c, .. self._legendList.append(legend) def setXLabel(self, label): self.ax.set_xlabel(label) def setYLabel(self, label): self.ax.set_ylabel(label) def setTitle(self, title): self.ax.set_title(title) def plotLegends(self): if not self._legend:return if not len(self._legendList):return loc = (1.01, 0.0) labelsep = 0.015 drawframe = True fontproperties = FontProperties(size=10) if len(self._legendList) > 14: drawframe = False if matplotlib_version < '0.99.0': fontproperties = FontProperties(size=8) loc = (1.05, -0.2) else: if len(self._legendList) < 18: #drawframe = True loc = (1.01, 0.0) elif len(self._legendList) < 25: loc = (1.05, 0.0) fontproperties = FontProperties(size=8) elif len(self._legendList) < 28: loc = (1.05, 0.0) fontproperties = FontProperties(size=6) else: loc = (1.05, -0.1) fontproperties = FontProperties(size=6) if matplotlib_version < '0.99.0': legend = self.ax.legend(self._legendList, loc = loc, prop = fontproperties, labelsep = labelsep, pad = 0.15) else: legend = self.ax.legend(self._legendList, loc = loc, prop = fontproperties, labelspacing = labelsep, borderpad = 0.15) legend.draw_frame(drawframe) def saveFile(self, filename, format=None): if format is None: format = filename[-3:] if format.upper() not in ['EPS', 'PNG', 'SVG']: raise ValueError("Unknown format %s" % format) if os.path.exists(filename): os.remove(filename) if self.limitsSet: self.ax.set_ylim(self.ymin, self.ymax) self.ax.set_xlim(self.xmin, self.xmax) #self.plotLegends() self.print_figure(filename) return class PyMcaMatplotlibSaveImage: def __init__(self, imageData=None, fileName=None, dpi=300, size=(5, 5), xaxis='off', yaxis='off', xlabel='', ylabel='', nxlabels=0, nylabels=0, colorbar=None, title='', interpolation='nearest', colormap=None, linlogcolormap='linear', origin='lower', contour='off', contourlabels='on', contourlabelformat='%.3f', contourlevels=10, contourlinewidth=10, xorigin=0.0, yorigin=0.0, xpixelsize=1.0, ypixelsize=1.0, xlimits=None, ylimits=None, vlimits=None, extent=None): self.figure = Figure(figsize=size) #in inches self.canvas = FigureCanvas(self.figure) self.imageData = imageData self.pixmapImage = None self.config={'xaxis':xaxis, 'yaxis':yaxis, 'title':title, 'xlabel':xlabel, 'ylabel':ylabel, 'nxlabels':nxlabels, 'nylabels':nylabels, 'colorbar':colorbar, 'colormap':colormap, 'linlogcolormap':linlogcolormap, 'interpolation':interpolation, 'origin':origin, 'contour':contour, 'contourlabels':contourlabels, 'contourlabelformat':contourlabelformat, 'contourlevels':contourlevels, 'contourlinewidth':contourlinewidth, 'xpixelsize':xpixelsize, 'ypixelsize':ypixelsize, 'xorigin':xorigin, 'yorigin':yorigin, 'zoomxmin':None, 'zoomxmax':None, 'zoomymin':None, 'zoomymax':None, 'valuemin':None, 'valuemax':None, 'xlimits':xlimits, 'ylimits':ylimits, 'vlimits':vlimits, 'extent':extent} #generate own colormaps cdict = {'red': ((0.0, 0.0, 0.0), (1.0, 1.0, 1.0)), 'green': ((0.0, 0.0, 0.0), (1.0, 0.0, 0.0)), 'blue': ((0.0, 0.0, 0.0), (1.0, 0.0, 0.0))} self.__redCmap = LinearSegmentedColormap('red',cdict,256) cdict = {'red': ((0.0, 0.0, 0.0), (1.0, 0.0, 0.0)), 'green': ((0.0, 0.0, 0.0), (1.0, 1.0, 1.0)), 'blue': ((0.0, 0.0, 0.0), (1.0, 0.0, 0.0))} self.__greenCmap = LinearSegmentedColormap('green',cdict,256) cdict = {'red': ((0.0, 0.0, 0.0), (1.0, 0.0, 0.0)), 'green': ((0.0, 0.0, 0.0), (1.0, 0.0, 0.0)), 'blue': ((0.0, 0.0, 0.0), (1.0, 1.0, 1.0))} self.__blueCmap = LinearSegmentedColormap('blue',cdict,256) # Temperature as defined in spslut cdict = {'red': ((0.0, 0.0, 0.0), (0.5, 0.0, 0.0), (0.75, 1.0, 1.0), (1.0, 1.0, 1.0)), 'green': ((0.0, 0.0, 0.0), (0.25, 1.0, 1.0), (0.75, 1.0, 1.0), (1.0, 0.0, 0.0)), 'blue': ((0.0, 1.0, 1.0), (0.25, 1.0, 1.0), (0.5, 0.0, 0.0), (1.0, 0.0, 0.0))} #Do I really need as many colors? self.__temperatureCmap = LinearSegmentedColormap('temperature', cdict, 65536) #reversed gray cdict = {'red': ((0.0, 1.0, 1.0), (1.0, 0.0, 0.0)), 'green': ((0.0, 1.0, 1.0), (1.0, 0.0, 0.0)), 'blue': ((0.0, 1.0, 1.0), (1.0, 0.0, 0.0))} self.__reversedGrayCmap = LinearSegmentedColormap('yerg', cdict, 256) if fileName is not None: self.saveImage(fileName) def setImage(self, image=None): self.imageData = image def setParameters(self, ddict): self.config.update(ddict) def saveImage(self, filename): self.figure.clear() if (self.imageData is None) and\ (self.pixmapImage is None): return # The axes self.axes = self.figure.add_axes([.15, .15, .75, .8]) if self.config['xaxis'] == 'off': self.axes.xaxis.set_visible(False) else: self.axes.xaxis.set_visible(True) nLabels = self.config['nxlabels'] if nLabels not in ['Auto', 'auto', '0', 0]: self.axes.xaxis.set_major_locator(MaxNLocator(nLabels)) else: self.axes.xaxis.set_major_locator(AutoLocator()) if self.config['yaxis'] == 'off': self.axes.yaxis.set_visible(False) else: self.axes.yaxis.set_visible(True) if nLabels not in ['Auto', 'auto', '0', 0]: self.axes.yaxis.set_major_locator(MaxNLocator(nLabels)) else: self.axes.yaxis.set_major_locator(AutoLocator()) if self.pixmapImage is not None: self._savePixmapFigure(filename) return interpolation = self.config['interpolation'] origin = self.config['origin'] cmap = self.__temperatureCmap ccmap = cm.gray if self.config['colormap'] in ['grey','gray']: cmap = cm.gray ccmap = self.__temperatureCmap elif self.config['colormap'] in ['yarg','yerg']: cmap = self.__reversedGrayCmap ccmap = self.__temperatureCmap elif self.config['colormap']=='jet': cmap = cm.jet elif self.config['colormap']=='hot': cmap = cm.hot elif self.config['colormap']=='cool': cmap = cm.cool elif self.config['colormap']=='copper': cmap = cm.copper elif self.config['colormap']=='spectral': cmap = cm.spectral elif self.config['colormap']=='hsv': cmap = cm.hsv elif self.config['colormap']=='rainbow': cmap = cm.gist_rainbow elif self.config['colormap']=='red': cmap = self.__redCmap elif self.config['colormap']=='green': cmap = self.__greenCmap elif self.config['colormap']=='blue': cmap = self.__blueCmap elif self.config['colormap']=='temperature': cmap = self.__temperatureCmap elif self.config['colormap'] == 'paired': cmap = cm.Paired elif self.config['colormap'] == 'paired_r': cmap = cm.Paired_r elif self.config['colormap'] == 'pubu': cmap = cm.PuBu elif self.config['colormap'] == 'pubu_r': cmap = cm.PuBu_r elif self.config['colormap'] == 'rdbu': cmap = cm.RdBu elif self.config['colormap'] == 'rdbu_r': cmap = cm.RdBu_r elif self.config['colormap'] == 'gist_earth': cmap = cm.gist_earth elif self.config['colormap'] == 'gist_earth_r': cmap = cm.gist_earth_r elif self.config['colormap'] == 'blues': cmap = cm.Blues elif self.config['colormap'] == 'blues_r': cmap = cm.Blues_r elif self.config['colormap'] == 'ylgnbu': cmap = cm.YlGnBu elif self.config['colormap'] == 'ylgnbu_r': cmap = cm.YlGnBu_r else: print("Unsupported colormap %s" % self.config['colormap']) if self.config['extent'] is None: h, w = self.imageData.shape x0 = self.config['xorigin'] y0 = self.config['yorigin'] w = w * self.config['xpixelsize'] h = h * self.config['ypixelsize'] if origin == 'upper': extent = (x0, w+x0, h+y0, y0) else: extent = (x0, w+x0, y0, h+y0) else: extent = self.config['extent'] vlimits = self.__getValueLimits() if vlimits is None: imageData = self.imageData vmin = self.imageData.min() vmax = self.imageData.max() else: vmin = min(vlimits[0], vlimits[1]) vmax = max(vlimits[0], vlimits[1]) imageData = self.imageData.clip(vmin,vmax) if self.config['linlogcolormap'] != 'linear': if vmin <= 0: if vmax > 0: vmin = min(imageData[imageData>0]) else: vmin = 0.0 vmax = 1.0 self._image = self.axes.imshow(imageData.clip(vmin,vmax), interpolation=interpolation, origin=origin, cmap=cmap, extent=extent, norm=LogNorm(vmin, vmax)) else: self._image = self.axes.imshow(imageData, interpolation=interpolation, origin=origin, cmap=cmap, extent=extent, norm=Normalize(vmin, vmax)) ylim = self.axes.get_ylim() if self.config['colorbar'] is not None: barorientation = self.config['colorbar'] self._colorbar = self.figure.colorbar(self._image, orientation=barorientation) #contour plot if self.config['contour'] != 'off': dataMin = imageData.min() dataMax = imageData.max() ncontours = int(self.config['contourlevels']) contourlinewidth = int(self.config['contourlinewidth'])/10. levels = (numpy.arange(ncontours)) *\ (dataMax - dataMin)/float(ncontours) if self.config['contour'] == 'filled': self._contour = self.axes.contourf(imageData, levels, origin=origin, cmap=ccmap, extent=extent) else: self._contour = self.axes.contour(imageData, levels, origin=origin, cmap=ccmap, linewidths=contourlinewidth, extent=extent) if self.config['contourlabels'] != 'off': self.axes.clabel(self._contour, fontsize=9, inline=1, fmt=self.config['contourlabelformat']) if 0 and self.config['colorbar'] is not None: if barorientation == 'horizontal': barorientation = 'vertical' else: barorientation = 'horizontal' self._ccolorbar=self.figure.colorbar(self._contour, orientation=barorientation, extend='both') self.__postImage(ylim, filename) def setPixmapImage(self, image=None, bgr=False): if bgr: self.pixmapImage = image * 1 self.pixmapImage[:,:,0] = image[:,:,2] self.pixmapImage[:,:,2] = image[:,:,0] else: self.pixmapImage = image def _savePixmapFigure(self, filename): interpolation = self.config['interpolation'] origin = self.config['origin'] if self.config['extent'] is None: h= self.pixmapImage.shape[0] w= self.pixmapImage.shape[1] x0 = self.config['xorigin'] y0 = self.config['yorigin'] w = w * self.config['xpixelsize'] h = h * self.config['ypixelsize'] if origin == 'upper': extent = (x0, w+x0, h+y0, y0) else: extent = (x0, w+x0, y0, h+y0) else: extent = self.config['extent'] self._image = self.axes.imshow(self.pixmapImage, interpolation=interpolation, origin=origin, extent=extent) ylim = self.axes.get_ylim() self.__postImage(ylim, filename) def __getValueLimits(self): if (self.config['valuemin'] is not None) and\ (self.config['valuemax'] is not None) and\ (self.config['valuemin'] != self.config['valuemax']): vlimits = (self.config['valuemin'], self.config['valuemax']) elif self.config['vlimits'] is not None: vlimits = self.config['vlimits'] else: vlimits = None return vlimits def __postImage(self, ylim, filename): self.axes.set_title(self.config['title']) self.axes.set_xlabel(self.config['xlabel']) self.axes.set_ylabel(self.config['ylabel']) origin = self.config['origin'] if (self.config['zoomxmin'] is not None) and\ (self.config['zoomxmax'] is not None)and\ (self.config['zoomxmax'] != self.config['zoomxmin']): xlimits = (self.config['zoomxmin'], self.config['zoomxmax']) elif self.config['xlimits'] is not None: xlimits = self.config['xlimits'] else: xlimits = None if (self.config['zoomymin'] is not None) and\ (self.config['zoomymax'] is not None) and\ (self.config['zoomymax'] != self.config['zoomymin']): ylimits = (self.config['zoomymin'], self.config['zoomymax']) elif self.config['ylimits'] is not None: ylimits = self.config['ylimits'] else: ylimits = None if ylimits is None: self.axes.set_ylim(ylim[0],ylim[1]) else: ymin = min(ylimits) ymax = max(ylimits) if origin == "lower": self.axes.set_ylim(ymin, ymax) else: self.axes.set_ylim(ymax, ymin) if xlimits is not None: xmin = min(xlimits) xmax = max(xlimits) self.axes.set_xlim(xmin, xmax) self.canvas.print_figure(filename) if __name__ == "__main__": import sys if len(sys.argv) < 2: a=numpy.arange(1200.) a.shape = 20, 60 PyMcaMatplotlibSaveImage(a, "filename.png", colormap="rainbow") print("Image filename.png saved") else: w=PyMcaMatplotlibSave(legends=True) x = numpy.arange(1200.) w.setLimits(0, 1200., 0, 12000.) if len(sys.argv) > 2: n = int(sys.argv[2]) else: n = 14 for i in range(n): y = x * i w.addDataToPlot(x,y, legend="%d" % i) #w.setTitle('title') w.setXLabel('Channel') w.setYLabel('Counts') w.plotLegends() w.saveFile("filename.png") print("Plot filename.png saved") sys.exit(0) PyMca5-5.2.2/PyMca5/PyMcaCore/HtmlIndex.py0000644000276300001750000002025713136054446020125 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import os import sys import time from . import PyMcaLogo class HtmlIndex(object): def __init__(self, htmldir): if htmldir is None:htmldir = "/tmp/HTML" self.htmldir = htmldir def isHtml(self, x): if len(x) < 5: return 0 if x[-5:] == ".html":return 1 def isHtmlDir(self, x): if len(x) < 7: return 0 if x[-7:] == "HTMLDIR":return 1 def getHeader(self,addlink=None): link= [ ['http://www.esrf.fr', 'ESRF home'], ['http://www.esrf.fr/computing/bliss/', 'BLISS home'], ] if addlink is not None: for item in addlink: link.append(item) text ="" text+= "" text+= "" text+= "PyMCA : Advanced Fit Results" text+= "" text+= "" text+= "
" text+= "" text+= " " text+= " " text+= " " text+= " " text+= " " text+= " " text+= " " text+= " " text+= " " text+= " " text+= "
" text+= " PyMCA : Advanced Fit Results" text+= " " text+= " " logofile = self.htmldir + "/" + "PyMcaLogo.png" if not os.path.exists(logofile): try: import qt pixmap = qt.QPixmap(PyMcaLogo.PyMcaLogo) pixmap.save(logofile,"PNG") except: pass text+= " " % "PyMcaLogo.png" text+= "
" text+= " " text+= " " text+= " " text+= " " text+= "
" text+= "  " for name in link: text+= "|  %s  "%(tuple(name)) text+= " " text+= "
" text+= "
" text+= "
" text+= "
" return text def getFooter(self): now = time.time() text ="" text+= "
" text+= "" text+= " " text+= " " text+= " " text+= " " text+= " " % time.ctime(now) text+= " " if sys.platform == 'win32': try: user = os.environ['USERNAME'] text+= " %s" % user except: text +="" else: try: user = os.getlogin() text+= " %s" % user except: text +="" text+= " " text+= "
created: %slast modified: %s by" % time.ctime(now) #text+= " papillon@esrf.fr
" text+= "
" text+= "" text+= "" return text def getBody(self, htmldir=None): if htmldir is None:htmldir = self.htmldir dirlist = filter(self.isHtmlDir, os.listdir(htmldir)) filelist = [] for directory in dirlist: fulldir = os.path.join(self.htmldir,directory) filelist += filter(self.isHtml, os.listdir(fulldir)) #I have a list of directories and of indexes for directory in dirlist: fulldir = os.path.join(htmldir,directory) index = os.path.join(fulldir,"index.html") if os.path.exists(index): try: os.remove(index) except: print("cannot delete file %s" % index) continue def _getHtmlFileList(self, directory): return filter(self.isHtml, os.listdir(directory)) def _getHtmlDirList(self, directory): return filter(self.isHtmlDir, os.listdir(directory)) def buildIndex(self, directory = None): if directory is None: directory = self.htmldir index = os.path.join(directory, "index.html") if os.path.exists(index): try: os.remove(index) except: print("cannot delete file %s" % index) return filelist = self._getHtmlFileList(directory) text = "" text += self.getHeader() for file in filelist: text +="%s
" % (file, file.split(".html")[0]) text += self.getFooter() file=open(index,'wb') file.write(text) file.close() def buildRecursiveIndex(self, directory = None): if directory is None: directory = self.htmldir index = os.path.join(directory, "index.html") if os.path.exists(index): try: os.remove(index) except: print("cannot delete file %s" % index) return directorylist = self._getHtmlDirList(directory) text = "" text += self.getHeader() for file in directorylist: fulldir = os.path.join(directory,file) self.buildIndex(fulldir) fileroot = file.split('_HTMLDIR')[0] link = "./"+file+"/index.html" text +="%s
" % (link, fileroot) text += self.getFooter() file=open(index,'wb') file.write(text) file.close() if __name__ == "__main__": if len(sys.argv) > 1: a = HtmlIndex(sys.argv[1]) else: print("Trying /tmp/HTML as input directory") a = HtmlIndex('/tmp/HTML') a.buildRecursiveIndex() PyMca5-5.2.2/PyMca5/PyMcaCore/DataObject.py0000644000276300001750000001512113136054446020223 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import numpy class DataObject(object): ''' Simple container of an array and associated information. Basically it has the members: info: A dictionnary data: An array, usually 2D, 3D, ... In the past also incorporated selection methods. Now each different data source implements its selection methods. Plotting routines may add additional members x: A list containing arrays to be considered axes y: A list of data to be considered as signals m: A list containing the monitor data ''' GETINFO_DEPRECATION_WARNING = True GETDATA_DEPRECATION_WARNING = True SELECT_DEPRECATION_WARNING = True def __init__(self): ''' Defaut Constructor ''' self.info = {} self.data = numpy.array([]) # all the following methods are here for compatibility purposes # they are obsolete and bound to disappear. def getInfo(self): """ Deprecated method """ if DataObject.GETINFO_DEPRECATION_WARNING: print("DEPRECATION WARNING: DataObject.getInfo()") DataObject.GETINFO_DEPRECATION_WARNING = False return self.info def getData(self): """ Deprecated method """ if DataObject.GETDATA_DEPRECATION_WARNING: print("DEPRECATION WARNING: DataObject.getData()") DataObject.GETDATA_DEPRECATION_WARNING = False return self.data def select(self, selection=None): """ Deprecated method """ if DataObject.SELECT_DEPRECATION_WARNING: print("DEPRECATION WARNING: DataObject.select(selection=None)") DataObject.SELECT_DEPRECATION_WARNING = False dataObject = DataObject() dataObject.info = self.info dataObject.info['selection'] = selection if selection is None: dataObject.data = self.data return dataObject if type(selection) == dict: #dataObject.data = self.data #should I set it to none??? dataObject.data = None if 'rows' in selection: dataObject.x = None dataObject.y = None dataObject.m = None if 'x' in selection['rows']: for rownumber in selection['rows']['x']: if rownumber is None: continue if dataObject.x is None: dataObject.x = [] dataObject.x.append(self.data[rownumber, :]) if 'y' in selection['rows']: for rownumber in selection['rows']['y']: if rownumber is None: continue if dataObject.y is None: dataObject.y = [] dataObject.y.append(self.data[rownumber, :]) if 'm' in selection['rows']: for rownumber in selection['rows']['m']: if rownumber is None: continue if dataObject.m is None: dataObject.m = [] dataObject.m.append(self.data[rownumber, :]) elif ('cols' in selection) or ('columns' in selection): if 'cols' in selection: key = 'cols' else: key = 'columns' dataObject.x = None dataObject.y = None dataObject.m = None if 'x' in selection[key]: for rownumber in selection[key]['x']: if rownumber is None: continue if dataObject.x is None: dataObject.x = [] dataObject.x.append(self.data[:, rownumber]) if 'y' in selection[key]: for rownumber in selection[key]['y']: if rownumber is None: continue if dataObject.y is None: dataObject.y = [] dataObject.y.append(self.data[:, rownumber]) if 'm' in selection[key]: for rownumber in selection[key]['m']: if rownumber is None: continue if dataObject.m is None: dataObject.m = [] dataObject.m.append(self.data[:, rownumber]) if dataObject.x is None: if 'Channel0' in dataObject.info: ch0 = int(dataObject.info['Channel0']) else: ch0 = 0 dataObject.x = [numpy.arange(ch0, ch0 + len(dataObject.y[0])).astype(numpy.float)] if not ("selectiontype" in dataObject.info): dataObject.info["selectiontype"] = "%dD" % len(dataObject.y) return dataObject PyMca5-5.2.2/PyMca5/PyMcaCore/SpecFileLayer.py0000644000276300001750000006065413137667364020737 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2017 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" """ SpecFileLayer.py Data derived class to access spec files """ ################################################################################ import numpy from PyMca5.PyMcaIO import specfilewrapper as specfile ################################################################################ SOURCE_TYPE = "SpecFile" # Scan types # ---------- SF_EMPTY= 0 # empty scan SF_SCAN = 1 # non-empty scan SF_MESH = 2 # mesh scan SF_MCA = 4 # single mca SF_NMCA = 8 # multi mca (more than 1 mca per acq) SF_UMCA = 16 # mca number does not match pts number class SpecFileLayer(object): """ Specializes Data class to access Spec files. Interface: Data class interface. """ Error= "SpecFileDataError" def __init__(self,refresh_interval=None,info={}): """ See Data.__init__ """ info["Class"]="SpecFileData" #Data.__init__(self,refresh_interval,info) self.SourceName= None self.SourceInfo= None self.GetData = self.LoadSource def GetPageInfo(self,index={}): if 'SourceName' in index: self.SetSource(index['SourceName']) if 'Key' in index: info=self.GetData(index['Key']) return info[0] def AppendPage(self,scan_info, scan_data): return scan_info,scan_data def SetSource (self,source_name=None,source_obj=None): """ Sets a new source for data retrieving, an specfile. If the file exists, self.Source will be the Specfile object associated to this file. Parameters: source_name: name of the specfile """ if source_name==self.SourceName: return 1 if source_name is not None: if source_obj is not None: self.Source= source_obj else: try: self.Source= specfile.Specfile(source_name) except: self.Source= None else: self.Source= None self.SourceInfo= None if self.Source is None: self.SourceName= None return 0 else: self.SourceName= source_name return 1 def Refresh(self): self.SourceInfo= None if self.Source is not None: self.Source.update() #AS Data.Refresh(self) def RefreshPage(source_obj,self,page): return 0 def GetSourceInfo (self, key=None): """ Returns information about the Specfile object created by SetSource, to give application possibility to know about it before loading. Returns a dictionary with the keys "Size" (number of possible keys(to this source) and "KeyList" (list of all available keys in this source). Each element in "KeyList" is an string in the format "x.y" where x is the number of scan and y is the order. "x.y" works as the key to retrieve the information of this scan. There's also the key "NumMca" in the returned dictionary, which value is a list of numbers of mcas, for each value of "KeyList". If key given returns information of a perticular key instead. """ if self.SourceName == None: return None if key is None: if self.SourceInfo is None: self.SourceInfo= self.__GetSourceInfo() return self.SourceInfo else: key_type= self.__GetKeyType(key) if key_type=="scan": scan_key= key elif key_type=="mca": (scan_key, mca_no)=self.__GetMcaPars(key) return self.__GetScanInfo(scan_key) def LoadSource(self,key_list="ALL",append=0,invalidate=1): """ Creates a given number of pages, getting data from the actual source (set by SetSource). Parameters: * key_list: list of all keys to be read from source. It is a list of strings using the following formats: "ALL": creates one data page for each scan. valid for ScanType==SCAN or MESH or MCA "s.o": loads all counter values (s=scan number, o=order) - if ScanType==SCAN: in a 2D array (mot*cnts) - if ScanType==MESH: in a 3D array (mot1*mot2*cnts) - if ScanType==MCA: single MCA in 1D array (0:channels) "s.o.n": loads a single MCA in a 1D array (0:channels) - if ScanType==NMCA: n is the MCA number from 1 to N - if ScanType==SCAN+MCA: n is the scan point number (from 1) - if ScanType==MESH+MCA: n is the scan point number (from 1) "s.o.p.n": loads a single MCA in a 1D array (0:channels) - if ScanType==SCAN+NMCA: p is the point number in the scan n is the MCA device number - NOT TRUE: Just follow previous. if ScanType==MESH+MCA: p is first motor index n is second motor index "s.o.MCA": loads all MCA in an array - if ScanType==SCAN+MCA: 2D array (pts*mca) - if ScanType==NMCA: 2D array (mca_det*mca) - if ScanType==MESH+MCA: 3D array (pts_mot1*pts_mot2*mca) - if ScanType==SCAN+NMCA: 3D array (pts_mot1*mca_det*mca) - if ScanType==MESH+NMCA: creates N data page, one for each MCA device, with a 3D array (pts_mot1*pts_mot2*mca) * append: if non-zero, appends to the end of the page list, Otherwise, initializes the page list * invalidate: if non-zero performs an invalidade call after loading """ #AS if append==0: Data.Delete(self) if key_list == "ALL": key_list=self.__GetScanList() if type(key_list)==type(" "): key_list=[key_list] file_info= self.__GetFileInfo() output=[] for key in key_list: key_type= self.__GetKeyType(key) if key_type=="scan": output.append(self.__LoadScanData(key,file_info)) elif key_type=="mca": output.append(self.__LoadMcaData(key,file_info)) if len(output) == 1: return output[0] else: return output #AS if invalidate: self.Invalidate() def __LoadScanData(self, scan_key, file_info={}): scan_obj = self.Source.select(scan_key) scan_info = self.__GetScanInfo(scan_key,scan_obj) scan_info["Key"] = scan_key scan_info["FileInfo"] = file_info scan_type = scan_info["ScanType"] scan_data = None if scan_type&SF_SCAN: try: scan_data = numpy.transpose(scan_obj.data()).copy() except: raise IOError("SF_SCAN read failed") elif scan_type&SF_MESH: try: scan_array= scan_obj.data() (mot1,mot2,cnts)= self.__GetMeshSize(scan_array) scan_data= numpy.zeros((mot1,mot2,cnts), numpy.float) for idx in range(mot2): scan_data[:,idx,:]= numpy.transpose(scan_array[:,idx*mot1:(idx+1)*mot1]).copy() scan_data= numpy.transpose(scan_data).copy() except: raise IOError("SF_MESH read failed") elif scan_type&SF_MCA: return self.AppendPage(scan_info, scan_data) elif scan_type&SF_NMCA: return self.AppendPage(scan_info, scan_data) if scan_data is not None: return self.AppendPage(scan_info, scan_data) else: raise IOError("LoadScanData unknown type") def __GetMeshSize(self, scan_array): """ Given the scandata array, return the size tuple of the mesh """ mot2_array = scan_array[1] mot2_max = mot2_array.shape[0] mot1_idx = 1 while mot1_idx < mot2_max and mot2_array[mot1_idx] == mot2_array[0]: mot1_idx+=1 mot2_idx = scan_array.shape[1] // mot1_idx cnts_idx = scan_array.shape[0] return (mot1_idx, mot2_idx, cnts_idx) def __GetScanMotorRange(self, info, obj): name= info["LabelNames"][0] values= obj.datacol(1) length= values.shape[0] return (name, values, length) def __GetMeshMotorRange(self, info, obj): return () def __LoadMcaData(self, key, file_info={}): key_split= key.split(".") scan_key= key_split[0]+"."+key_split[1] scan_obj= self.Source.select(scan_key) scan_info= self.__GetScanInfo(scan_key,scan_obj) scan_info["Key"]= key scan_info["FileInfo"]= file_info scan_type= scan_info["ScanType"] scan_data= None mca_range= [] # for each dim., (name, length, values or None) if key_split[2]=="MCA": if scan_type==SF_SCAN+SF_MCA or scan_type==SF_MCA: try: mca_length= scan_obj.mca(1).shape[0] scan_data= numpy.zeros((scan_info["NbMca"], mca_length), numpy.float) for idx in range(scan_info["NbMca"]): scan_data[idx]= scan_obj.mca(idx+1) idx= 0 if scan_type==SF_SCAN+SF_MCA: mca_range[idx]= self.__GetScanMotorRange(scan_info, scan_obj) idx+=1 mca_range[idx]= ("Channels", mca_length, None) scan_info["McaRange"]= mca_range return self.AppendPage(scan_info, scan_data) except: raise IOError("SF_SCAN+SF_MCA read failed") elif scan_type==SF_NMCA: try: mca_length= scan_obj.mca(1).shape[0] mca_det= scan_info["NbMcaDet"] scan_data= numpy.zeros((mca_det, mca_length), numpy.float) for idx in range(mca_det): scan_data[idx]= scan_obj.mca(idx+1) mca_range[0]= ("McaDet", mca_det, None) mca_range[1]= ("Channels", mca_length, None) scan_info["McaRange"]= mca_range return self.AppendPage(scan_info, scan_data) except: raise IOError("SF_NMCA read failed") elif scan_type==SF_MESH+SF_MCA: try: scan_array= scan_obj.data() (mot1,mot2,cnts)= self.__GetMeshSize(scan_array) mca_length= scan_obj.mca(1).shape[0] scan_data= numpy.zeros((mot1,mot2,mca_length), numpy.float) for idx1 in range(mot1): for idx2 in range(mot2): mca_no= 1 + idx1 + idx2*mot1 scan_data[idx1,idx2,:]= scan_obj.mca(mca_no) return self.AppendPage(scan_info, scan_data) except: raise IOError("SF_MESH+SF_MCA read failed") elif scan_type==SF_SCAN+SF_NMCA: try: mca_length= scan_obj.mca(1).shape[0] nbdet= scan_info["NbMcaDet"] nbpts= scan_info["Lines"] scan_data= numpy.zeros((nbpts, nbdet, mca_length), numpy.float) for idx in range(nbpts): for idy in range(nbdet): scan_data[idx,idy,:]= scan_obj.mca(1+idx*nbdet+idy) mca_range=[0,0,0] mca_range[0]= self.__GetScanMotorRange(scan_info, scan_obj) mca_range[1]= ("McaDet", nbdet, None) mca_range[2]= ("Channels", mca_length, None) scan_info["McaRange"]= mca_range return self.AppendPage(scan_info, scan_data) except: raise IOError("SF_SCAN+SF_NMCA read failed") elif scan_type==SF_MESH+SF_NMCA: raise IOError("SF_MESH+SF_NMCA not yet implemented") scan_data= None elif len(key_split)==3: if scan_type&SF_NMCA or scan_type&SF_MCA: #if scan_type==SF_NMCA or \ # scan_type==SF_SCAN+SF_MCA or \ # scan_type==SF_MESH+SF_MCA: try: mca_no= int(key_split[2]) scan_data= scan_obj.mca(mca_no) except: raise IOError("Single MCA read failed") if scan_data is not None: scan_info.update(self.__GetMcaInfo(mca_no, scan_obj, scan_info)) return self.AppendPage(scan_info, scan_data) elif len(key_split)==4: if int(key_split[3]) > scan_info["NbMcaDet"]: raise IOError(\ "Asked to read Mca %d having % d mca " % \ (int(key_split[3]), scan_info["NbMcaDet"])) if scan_type==SF_SCAN+SF_NMCA: try: mca_no= (int(key_split[2])-1)*scan_info["NbMcaDet"] + int(key_split[3]) scan_data= scan_obj.mca(mca_no) except: raise IOError("SF_SCAN+SF_NMCA read failed") elif scan_type==SF_MESH+SF_MCA: try: scan_array= scan_obj.data() (mot1,mot2,cnts)= self.__GetMeshSize(scan_array) #mca_no= 1 + int(key_split[2]) + int(key_split[3])*mot1 mca_no= (int(key_split[2])-1)*scan_info["NbMcaDet"] + int(key_split[3]) scan_data= scan_obj.mca(mca_no) except: raise IOError("SF_MESH+SF_MCA read failed") elif scan_type&SF_NMCA or scan_type&SF_MCA: try: mca_no= (int(key_split[2])-1)*scan_info["NbMcaDet"] + int(key_split[3]) scan_data= scan_obj.mca(mca_no) except: raise IOError("SF_SCAN+SF_NMCA read failed") else: print("Unknown scan!!!!!!!!!!!!!!!!") raise IOError("Unknown scan!!!!!!!!!!!!!!!!") if scan_data is not None: scan_info.update(self.__GetMcaInfo(mca_no, scan_obj, scan_info)) return self.AppendPage(scan_info, scan_data) def __GetFileInfo(self): file_info={} try: file_info["Title"] = self.Source.title() except: file_info["Title"] = None try: file_info["User"] = self.Source.user() except: file_info["User"] = None try: file_info["Date"] = self.Source.date() except: file_info["Date"] = None try: file_info["Epoch"] = self.Source.epoch() except: file_info["Epoch"] = None try: file_info["ScanNo"] = self.Source.scanno() except: file_info["ScanNo"] = None try: file_info["List"] = list except: file_info["List"] = None return file_info def __GetSourceInfo(self): scanlist=self.__GetScanList() source_info={} source_info["Size"]=len(scanlist) source_info["KeyList"]=scanlist num_mca=[] num_pts=[] commands=[] sf_type=[] for i in scanlist: sel=self.Source.select(i) try: n= sel.nbmca() except: n= 0 num_mca.append(n) try: n= sel.lines() except: n= 0 num_pts.append(n) try: n= sel.command() except: n= "" commands.append(n) source_info["NumMca"]=num_mca source_info["NumPts"]=num_pts source_info["Commands"]= commands source_info["ScanType"]= map(self.__GetScanType, num_pts, num_mca, commands) return source_info def __GetScanType(self, num_pts, num_mca, command): type= SF_EMPTY if num_pts>0: if command is None: type= SF_SCAN elif command.find("mesh") != -1: type= SF_MESH else: type= SF_SCAN if num_mca%num_pts: type += SF_UMCA elif num_mca==num_pts: type += SF_MCA elif num_mca>0: type += SF_NMCA else: if num_mca==1: type = SF_MCA elif num_mca>1: type = SF_NMCA return type def __GetScanList(self): aux = self.Source.list().split(",") newlistcount=[] newlist=[] for i in aux: if i.find(":") == -1: start_index = end_index = int(i) else: s = i.split(":") start_index = int(s[0]) end_index = int(s[1]) for j in range(start_index, end_index+1): newlist.append(j) newlistcount.append(newlist.count(j)) for i in range(len(newlist)): newlist[i]="%d.%d" % (newlist[i],newlistcount[i]) return newlist def __GetKeyType (self,key): count = key.count('.') if (count==1): return "scan" elif (count==2) or (count==3): return "mca" else: raise KeyError("SpecFileData: Invalid key %s" % key) def __GetScanInfo(self, scankey, scandata=None): if scandata is None: scandata = self.Source.select(scankey) info={} info["SourceType"] = SOURCE_TYPE info["SourceName"] =self.SourceName info["Key"] =scankey info["Source"] =self.Source try: info["Number"] = scandata.number() except: info["Number"] = None try: info["Order"] = scandata.order() except: info["Order"] = None try: info["Cols"] = scandata.cols() except: info["Cols"] = 0 try: info["Lines"] = scandata.lines() except: info["Lines"] = 0 try: info["Date"] = scandata.date() except: info["Date"] = None try: info["MotorNames"] = self.Source.allmotors() except: info["MotorNames"] = None try: info["MotorValues"] = scandata.allmotorpos() except: info["MotorValues"] = None try: info["LabelNames"] = scandata.alllabels() except: info["LabelNames"] = None try: info["Command"] = scandata.command() except: info["Command"] = None try: info["Header"] = scandata.header("") except: info["Header"] = None try: info["NbMca"] = scandata.nbmca() except: info["NbMca"] = 0 try: info["hkl"] = scandata.hkl() except: info["hkl"] = None if info["NbMca"]: if info["Lines"]>0 and info["NbMca"]%info["Lines"]==0: info["NbMcaDet"]= info["NbMca"] // info["Lines"] else: info["NbMcaDet"]= info["NbMca"] info["ScanType"]= self.__GetScanType(info["Lines"], info["NbMca"], info["Command"]) return info def __GetMcaInfo(self, mcano, scandata, info=None): if info is None: info = {} mcainfo= {} if "NbMcaDet" in info: det= info["NbMcaDet"] if info["Lines"]>0: mcainfo["McaPoint"]= int(mcano/info["NbMcaDet"])+(mcano%info["NbMcaDet"]>0) mcainfo["McaDet"]= mcano-((mcainfo["McaPoint"]-1)*info["NbMcaDet"]) try: mcainfo["LabelValues"]= scandata.dataline(mcainfo["McaPoint"]) except: mcainfo["LabelValues"]= None else: mcainfo["McaPoint"]= 0 mcainfo["McaDet"]= mcano mcainfo["LabelValues"]= None # TODO: This implementation seems to ignore the case of having different # detectors in the same same scan calib= scandata.header("@CALIB") mcainfo["McaCalib"]=[0.0,1.0,0.0] if len(calib): # TODO: Instead of 0, one should use the index of the MCA detector # requested. ctxt= calib[0].split() if len(ctxt)==4: try: cval= [ float(ctxt[1]), float(ctxt[2]), float(ctxt[3]) ] mcainfo["McaCalib"]= cval except: mcainfo["McaCalib"]=[0.0,1.0,0.0] # TODO: This implementation seems to ignore the case of having different # detectors in the same scan, and the fact one can have more than one # measurement in a single scan (different McaLiveTime) ctime= scandata.header("@CTIME") if len(ctime): ctxt= ctime[0].split() if len(ctxt)==4: try: mcainfo["McaPresetTime"]= float(ctxt[1]) mcainfo["McaLiveTime"]= float(ctxt[2]) mcainfo["McaRealTime"]= float(ctxt[3]) except: pass chann = scandata.header("@CHANN") if len(chann): ctxt= chann[0].split() if len(ctxt)==5: mcainfo['Channel0'] = float(ctxt[2]) else: mcainfo['Channel0'] = 0.0 else: mcainfo['Channel0'] = 0.0 return mcainfo def __GetMcaPars(self,key): nums = key.split('.') size = len(nums) sel_key = nums[0] + "." + nums[1] if size == 3: mca_no = int(nums[2]) elif size == 4: sel = self.Source.select(sel_key) try: lines = sel.lines() except: lines=0 if nums[3]==0: mca_no = int(nums[2]) else: mca_no=((int(nums[3]) - 1) * lines) + int(nums[2]) else: raise KeyError("SpecFileData: Invalid key %s" % key) return (sel_key,mca_no) ################################################################################ #EXEMPLE CODE: if __name__ == "__main__": import sys,time if len(sys.argv) not in [2,3]: print("Usage: %s []") sys.exit() filename= sys.argv[1] sf= SpecFileLayer() if not sf.SetSource(filename): print("ERROR: cannot open file %s" % filename) sys.exit() if len(sys.argv)==2: info= sf.GetSourceInfo() print("Filename :", sf.SourceName) print("Number of scans :", info["Size"]) print("S# - command - pts - mca - type") for (s,c,p,m,t) in zip(info["KeyList"],info["Commands"],info["NumPts"],info["NumMca"],info["ScanType"]): print(s,"-",c,"-",p,"-",m,"-",t) print("KeyList = ",info["KeyList"]) #print info['Channel0'] if len(sys.argv)==3: info, data = sf.LoadSource(sys.argv[2]) print("Filename :", sf.SourceName) print("Loaded key :", info["Key"]) print("Header :") for i,v in info.items(): print("-", i, ":", v) print("Data Shape :", data.shape) PyMca5-5.2.2/PyMca5/PyMcaCore/Plugin1DBase.py0000644000276300001750000004252113173367502020446 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2016 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" __doc__ = """ A 1D plugin is a module that can be added to the PyMca 1D window in order to perform user defined operations of the plotted 1D data. Plugins can be automatically installed provided they are in the appropriate place: - In the user home directory: ${HOME}/PyMca/plugins (POSIX systems) - In "My Documents\\\\PyMca\\\\plugins" (Windows) A plugin inherit the Plugin1DBase.Plugin1DBase class and implement the methods: - getMethods - getMethodToolTip (optional but convenient) - getMethodPixmap (optional) - applyMethod and modify the static module variable MENU_TEXT and the static module function getPlugin1DInstance according to the defined plugin. These plugins will be compatible with any 1D-plot window that implements the Plot1D interface. The plot window interface is described in the Plot1DBase class. The main items are reproduced here and can be directly accessed as plugin methods. - addCurve - getActiveCurve - getAllCurves - getGraphXLimits - getGraphYLimits - getGraphTitle - getGraphXLabel - getGraphXTitle - getGraphYLabel - getGraphYTitle - removeCurve - setActiveCurve - setGraphTitle - setGraphXLimits - setGraphYLimits - setGraphXLabel - setGraphYLabel - setGraphXTitle - setGraphYTitle A simple plugin example, normalizing each curve to its maximum and vertically shifting the curves. .. code-block:: python from PyMca5 import Plugin1DBase class Shifting(Plugin1DBase.Plugin1DBase): def getMethods(self, plottype=None): return ["Shift"] def getMethodToolTip(self, methodName): if methodName != "Shift": raise InvalidArgument("Method %s not valid" % methodName) return "Subtract minimum, normalize to maximum, and shift up by 0.1" def applyMethod(self, methodName): if methodName != "Shift": raise ValueError("Method %s not valid" % methodName) allCurves = self.getAllCurves() increment = 0.1 for i in range(len(allCurves)): x, y, legend, info = allCurves[i][:4] delta = float(y.max() - y.min()) if delta < 1.0e-15: delta = 1.0 y = (y - y.min())/delta + i * increment if i == (len(allCurves) - 1): replot = True else: replot = False if i == 0: replace = True else: replace = False self.addCurve(x, y, legend=legend + " %.2f" % (i * increment), info=info, replace=replace, replot=replot) MENU_TEXT="Simple Shift Example" def getPlugin1DInstance(plotWindow, **kw): ob = Shifting(plotWindow) return ob """ import weakref try: from numpy import argsort, nonzero, take except ImportError: print("WARNING: numpy not present") try: from silx.gui.plot.PlotWidget import PlotWidget as silxPlot except ImportError: silxPlot = None def merge_info_params(info, params): """Return a copy of dictionary`info` updated with the content of dictionary `params`. If keys don't overlap, this will effectively concatenate info and params. :param dict info: Dictionary of custom curve metadata :param dict params: Dictionary of standard curve metadata (*xlabel, ylabel, linestyle...*)""" # TODO. much more keys and values to fix (see McaWindow) info_params = info.copy() info_params.update(params) # xlabel and ylabel default to None in *silx*, # PyMca plugins expect a string if info_params.get("xlabel", None) is None: info_params["xlabel"] = "X" if info_params.get("ylabel", None) is None: info_params["ylabel"] = "Y" return info_params class Plugin1DBase(object): def __init__(self, plotWindow, **kw): """ plotWindow is the object instantiating the plugin. Unless one knows what (s)he is doing, only a proxy should be used. I pass the actual instance to keep all doors open. The plot window can be a legacy PyMca plot, in which case :attr:`_legacy` is set to *True*, or a :class:`PluginsToolButton` acting as proxy for a *silx* PlotWindow. """ self._plotWindow = weakref.proxy(plotWindow) self._legacy = True """The plot window can be a legacy PyMca plot, in which case :attr:`_legacy` is set to *True*, or a :class:`PluginsToolButton` acting as proxy for a *silx* PlotWindow (*legacy=False*). """ if silxPlot is not None: if hasattr(plotWindow, "plot"): # PluginsToolButton.plot -> silx plot self._legacy = False # Window related functions def windowTitle(self): name = self._plotWindow.windowTitle() return name # fixme: should we support **kw? def addCurve(self, x, y, legend=None, info=None, replace=False, replot=True, **kw): """ Add the 1D curve given by x an y to the graph. :param x: The data corresponding to the x axis :type x: list or numpy.ndarray :param y: The data corresponding to the y axis :type y: list or numpy.ndarray :param legend: The legend to be associated to the curve :type legend: string or None :param info: Dictionary of information associated to the curve :type info: dict or None :param replace: Flag to indicate if already existing curves are to be deleted :type replace: boolean default False :param replot: Flag to indicate plot is to be immediately updated :type replot: boolean default True :param **kw: Additional keywords recognized by the plot window. Beware that the keywords recognized by *silx* and *PyMca* plot windows may differ. """ if self._legacy: return self._plotWindow.addCurve(x, y, legend=legend, info=info, replace=replace, replot=replot, **kw) else: # fill = info.get("plot_fill", False) if info is not None else False # fill = kw.get("fill", fill) # linewidth = kw.get("linewidth", None) return self._plotWindow.addCurve(x, y, legend=legend, info=info, replace=replace, resetzoom=replot, # fill=fill, linewidth=linewidth, # Fixme: are these needed? **kw) def getActiveCurve(self, just_legend=False): """ :param just_legend: Flag to specify the type of output required :type just_legend: boolean :return: legend of the active curve or list [x, y, legend, info] :rtype: string or list Function to access the graph currently active curve. It returns None in case of not having an active curve. Default output has the form: xvalues, yvalues, legend, dict where dict is a dictionary containing curve info. For the time being, only the plot labels associated to the curve are warranted to be present under the keys xlabel, ylabel. If just_legend is True: The legend of the active curve (or None) is returned. """ curve = self._plotWindow.getActiveCurve(just_legend=just_legend) # silx specific: when there is only one curve, get it, even if not active # (PyMca's getActiveCurve already does this) if curve is None and not self._legacy: if len(self.getAllCurves(just_legend=True)) == 1: curve = self._plotWindow.getCurve() if self._legacy or just_legend or curve is None: return curve # silx PlotWindow x, y, legend, info, params = curve return x, y, legend, merge_info_params(info, params) def getAllCurves(self, just_legend=False): """ :param just_legend: Flag to specify the type of output required :type just_legend: boolean :return: legend of the curves or list [[x, y, legend, info], ...] :rtype: list of strings or list of curves It returns an empty list in case of not having any curve. If just_legend is False: It returns a list of the form: [[xvalues0, yvalues0, legend0, dict0], [xvalues1, yvalues1, legend1, dict1], [...], [xvaluesn, yvaluesn, legendn, dictn]] or just an empty list. If just_legend is True: It returns a list of the form: [legend0, legend1, ..., legendn] or just an empty list. """ all_curves = [] for curve in self._plotWindow.getAllCurves(just_legend=just_legend): if just_legend or self._legacy: all_curves.append(curve) else: x, y, legend, info, params = curve all_curves.append([x, y, legend, merge_info_params(info, params)]) return all_curves def getCurve(self, legend): curve = self._plotWindow.getCurve(legend) if self._legacy or curve is None: return curve # silx PlotWindow x, y, legend, info, params = curve return x, y, legend, merge_info_params(info, params) def getMonotonicCurves(self): """ Convenience method that calls getAllCurves and makes sure that all of the X values are strictly increasing. :return: It returns a list of the form: [[xvalues0, yvalues0, legend0, dict0], [xvalues1, yvalues1, legend1, dict1], [...], [xvaluesn, yvaluesn, legendn, dictn]] """ allCurves = [] for curve in self.getAllCurves(): x, y, legend, info = curve[0:4] # Sort idx = argsort(x, kind='mergesort') xproc = take(x, idx) yproc = take(y, idx) # Ravel, Increase xproc = xproc.ravel() idx = nonzero((xproc[1:] > xproc[:-1]))[0] xproc = take(xproc, idx) yproc = take(yproc, idx) allCurves.append([xproc, yproc, legend, info]) return allCurves def getGraphXLimits(self): """ Get the graph X limits. :return: Two floats with the X axis limits """ return self._plotWindow.getGraphXLimits() def getGraphYLimits(self): """ Get the graph Y (left) limits. :return: Two floats with the Y (left) axis limits """ return self._plotWindow.getGraphYLimits() def getGraphTitle(self): """ :return: The graph title :rtype: string """ return self._plotWindow.getGraphTitle() def getGraphXLabel(self): """ :return: The graph X axis label :rtype: string """ return self._plotWindow.getGraphXLabel() def getGraphXTitle(self): """ :return: The graph X axis label :rtype: string """ print("getGraphXTitle deprecated, use getGraphXLabel") return self._plotWindow.getGraphXLabel() def getGraphYLabel(self): """ :return: The graph Y axis label :rtype: string """ return self._plotWindow.getGraphYLabel() def getGraphYTitle(self): """ :return: The graph Y axis label :rtype: string """ print("getGraphYTitle deprecated, use getGraphYLabel") return self._plotWindow.getGraphYLabel() def setGraphXLimits(self, xmin, xmax, replot=False): """ Set the graph X limits. :param xmin: minimum value of the axis :type xmin: float :param xmax: minimum value of the axis :type xmax: float :param replot: Flag to indicate plot is to be immediately updated :type replot: boolean default False """ if self._legacy: return self._plotWindow.setGraphXLimits(xmin, xmax, replot=replot) return self._plotWindow.setGraphXLimits(xmin, xmax) # TODO: support param axis='right'? def setGraphYLimits(self, ymin, ymax, replot=False): """ Set the graph Y (left) limits. :param ymin: minimum value of the axis :type ymin: float :param ymax: minimum value of the axis :type ymax: float :param replot: Flag to indicate plot is to be immediately updated :type replot: boolean default False """ if self._legacy: return self._plotWindow.setGraphYLimits(ymin, ymax, replot=replot) return self._plotWindow.setGraphYLimits(ymin, ymax) def removeCurve(self, legend, replot=True): """ Remove the curve associated to the supplied legend from the graph. The graph will be updated if replot is true. :param legend: The legend associated to the curve to be deleted :type legend: string or None :param replot: Flag to indicate plot is to be immediately updated :type replot: boolean default True """ if self._legacy: self._plotWindow.removeCurve(legend, replot=replot) return self._plotWindow.removeCurve(legend) def setActiveCurve(self, legend): """ Funtion to request the plot window to set the curve with the specified legend as the active curve. :param legend: The legend associated to the curve :type legend: string """ return self._plotWindow.setActiveCurve(legend) def setGraphTitle(self, title): """ :param title: The title to be set :type title: string """ return self._plotWindow.setGraphTitle(title) def setGraphXTitle(self, title): """ :param title: The title to be associated to the X axis :type title: string """ if self._legacy: return self._plotWindow.setGraphXTitle(title) return self._plotWindow.setGraphXLabel(title) def setGraphYTitle(self, title): """ :param title: The title to be associated to the X axis :type title: string """ if self._legacy: return self._plotWindow.setGraphYTitle(title) return self._plotWindow.setGraphYLabel(title) # Methods to be implemented by the plugin def getMethods(self, plottype=None): """ :param plottype: string or None for the case the plugin only support one type of plots. Implemented values "SCAN", "MCA" or None :return: A list with the NAMES associated to the callable methods that are applicable to the specified type plot. The list can be empty. :rtype: list[string] """ print("getMethods not implemented") return [] def getMethodToolTip(self, name): """ Returns the help associated to the particular method name or None. :param name: The method for which a tooltip is asked :rtype: string """ return None def getMethodPixmap(self, name): """ :param name: The method for which a pixmap is asked :rtype: QPixmap or None """ return None def applyMethod(self, name): """ The plugin is asked to apply the method associated to name. """ print("applyMethod not implemented") return MENU_TEXT = "Plugin1D Base" def getPlugin1DInstance(plotWindow, **kw): """ This function will be called by the plot window instantiating and calling the plugins. It passes itslef as first argument, but the default implementation of the base class only keeps a weak reference to prevent cirvular references. """ ob = Plugin1DBase(plotWindow) return ob PyMca5-5.2.2/PyMca5/PyMcaCore/__init__.py0000644000276300001750000000000013136054446017750 0ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/PyMcaCore/StackROIBatch.py0000644000276300001750000003411713136054446020612 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" __doc__ = """ Module to calculate a set of ROIs on a stack of data. """ import os import numpy from PyMca5.PyMcaIO import ConfigDict import time DEBUG = 0 class StackROIBatch(object): def __init__(self): self._config = {} def setConfiguration(self, configuration): self._config["ROI"] = configuration["ROI"] def getConfiguration(self): return self._config def setConfigurationFile(self, ffile): if not os.path.exists(ffile): raise IOError("File <%s> does not exists" % ffile) configuration = ConfigDict.ConfigDict() configuration.read(ffile) self.setConfiguration(configuration) def batchROIMultipleSpectra(self, x=None, y=None, configuration=None, net=True, xAtMinMax=False, index=None, xLabel=None): """ This method performs the actual fit. The y keyword is the only mandatory input argument. :param x: 1D array containing the x axis (usually the channels) of the spectra. :param y: 3D array containing the data, usually [nrows, ncolumns, nchannels] :param weight: 0 Means no weight, 1 Use an average weight, 2 Individual weights (slow) :param net: 0 Means no subtraction, 1 Calculate :param xAtMinMax: if True, calculate X at maximum and minimum Y . Default is false. :param index: Index of dimension where to apply the ROIs. :param xLabel: Type of ROI to be used. :return: A dictionnary with the images and the image names as keys. """ if y is None: raise RuntimeError("y keyword argument is mandatory!") if hasattr(y, "info") and hasattr(y, "data"): data = y.data mcaIndex = y.info.get("McaIndex", -1) else: data = y mcaIndex = -1 if index is None: index = mcaIndex if index < 0: index = len(data.shape) - 1 #workaround a problem with h5py try: if index in [0]: testException = data[0:1] else: if len(data.shape) == 2: testException = data[0:1,-1] elif len(data.shape) == 3: testException = data[0:1,0:1,-1] except AttributeError: txt = "%s" % type(data) if 'h5py' in txt: print("Implementing h5py workaround") import h5py data = h5py.Dataset(data.id) else: raise # make sure to get x data if x is None: x = numpy.arange(data.shape[index]).astype(numpy.float32) if DEBUG: t0 = time.time() if configuration is not None: self.setConfiguration(configuration) # read the current configuration config = self.getConfiguration() # start the work roiList0 = config["ROI"]["roilist"] if type(roiList0) not in [type([]), type((1,))]: roiList0 = [roiList0] # operate only on compatible ROIs roiList = [] for roi in roiList0: if roi.upper() == "ICR": roiList.append(roi) roiType = config["ROI"]["roidict"][roi]["type"] if xLabel is None: roiList.append(roi) elif xLabel.lower() == roiType.lower(): roiList.append(roi) # only usual spectra case supported if index != (len(data.shape) - 1): raise IndexError("Only stacks of spectra supported") if len(data.shape) != 3: txt = "For the time being only " txt += "three dimensional arrays supported" raise NotImplemented(txt) if len(data.shape) != 3: txt = "For the time being only " txt += "three dimensional arrays supported" raise NotImplemented(txt) totalSpectra = 1 for i in range(len(data.shape)): if i != index: totalSpectra *= data.shape[i] if x.size != data.shape[index]: raise NotImplemented("All the spectra should share same X axis") jStep = min(1000, data.shape[1]) nRois = len(roiList) iXMinList = [None] * nRois iXMaxList = [None] * nRois nRows = data.shape[0] nColumns = data.shape[1] if xAtMinMax: results = numpy.zeros((nRois * 4, nRows, nColumns), numpy.float) names = [None] * 4 * nRois else: results = numpy.zeros((nRois * 2, nRows, nColumns), numpy.float) names = [None] * 2 * nRois for i in range(0, data.shape[0]): #print(i) #chunks of nColumns spectra if i == 0: chunk = numpy.zeros((jStep, data.shape[index]), numpy.float) xData = x jStart = 0 while jStart < data.shape[1]: jEnd = min(jStart + jStep, data.shape[1]) chunk[:(jEnd - jStart)] = data[i, jStart: jEnd] for j, roi in enumerate(roiList): if i == 0: roiType = config["ROI"]["roidict"][roi]["type"] roiLine = roi roiFrom = config["ROI"]["roidict"][roi]["from"] roiTo = config["ROI"]["roidict"][roi]["to"] if roiLine == "ICR": iXMinList[j] = 0 iXMaxList[j] = data.shape[index] else: iXMinList[j] = numpy.nonzero(x <= roiFrom)[0][-1] iXMaxList[j] = numpy.nonzero(x >= roiTo)[0][0] + 1 names[j] = "ROI " + roiLine names[j + nRois] = "ROI "+ roiLine + " Net" if xAtMinMax: names[j + 2 * nRois] = "ROI "+ roiLine + (" %s at Max." % roiType) names[j + 3 * nRois] = "ROI "+ roiLine + (" %s at Min." % roiType) iXMin = iXMinList[j] iXMax = iXMaxList[j] #if i == 0: # print roi, " iXMin = ", iXMin, "iXMax = ", iXMax tmpArray = chunk[:(jEnd - jStart), iXMin : iXMax] left = tmpArray[:, 0] right = tmpArray[:, -1] rawSum = tmpArray.sum(axis=-1, dtype=numpy.float) netSum = rawSum - (0.5 * (left + right) * (iXMax - iXMin + 1)) results[j][i,:(jEnd - jStart)] = rawSum results[j + nRois][i,:(jEnd - jStart)] = netSum if xAtMinMax: # maxImage results[j + 2 * nRois][i, :(jEnd - jStart)] = \ numpy.argmax(tmpArray, axis=1) + iXMin # minImage results[j + 3 * nRois][i, :(jEnd - jStart)] = \ numpy.argmin(tmpArray, axis=1) + iXMin jStart = jEnd outputDict = {'images':results, 'names':names} return outputDict def getFileListFromPattern(pattern, begin, end, increment=None): if type(begin) == type(1): begin = [begin] if type(end) == type(1): end = [end] if len(begin) != len(end): raise ValueError(\ "Begin list and end list do not have same length") if increment is None: increment = [1] * len(begin) elif type(increment) == type(1): increment = [increment] if len(increment) != len(begin): raise ValueError(\ "Increment list and begin list do not have same length") fileList = [] if len(begin) == 1: for j in range(begin[0], end[0] + increment[0], increment[0]): fileList.append(pattern % (j)) elif len(begin) == 2: for j in range(begin[0], end[0] + increment[0], increment[0]): for k in range(begin[1], end[1] + increment[1], increment[1]): fileList.append(pattern % (j, k)) elif len(begin) == 3: raise ValueError("Cannot handle three indices yet.") for j in range(begin[0], end[0] + increment[0], increment[0]): for k in range(begin[1], end[1] + increment[1], increment[1]): for l in range(begin[2], end[2] + increment[2], increment[2]): fileList.append(pattern % (j, k, l)) else: raise ValueError("Cannot handle more than three indices.") return fileList if __name__ == "__main__": DEBUG = True import glob import sys from PyMca5.PyMca import EDFStack from PyMca5.PyMca import ArraySave import getopt options = '' longoptions = ['cfg=', 'outdir=', 'tif=', #'listfile=', 'filepattern=', 'begin=', 'end=', 'increment=', "outfileroot="] try: opts, args = getopt.getopt( sys.argv[1:], options, longoptions) except: print(sys.exc_info()[1]) sys.exit(1) fileRoot = "" outputDir = None fileindex = 0 filepattern=None begin = None end = None increment=None tif=0 for opt, arg in opts: if opt in ('--cfg'): configurationFile = arg elif opt in '--begin': if "," in arg: begin = [int(x) for x in arg.split(",")] else: begin = [int(arg)] elif opt in '--end': if "," in arg: end = [int(x) for x in arg.split(",")] else: end = int(arg) elif opt in '--increment': if "," in arg: increment = [int(x) for x in arg.split(",")] else: increment = int(arg) elif opt in '--filepattern': filepattern = arg.replace('"', '') filepattern = filepattern.replace("'", "") elif opt in '--outdir': outputDir = arg elif opt in '--outfileroot': fileRoot = arg elif opt in ['--tif', '--tiff']: tif = int(arg) if filepattern is not None: if (begin is None) or (end is None): raise ValueError(\ "A file pattern needs at least a set of begin and end indices") if filepattern is not None: fileList = getFileListFromPattern(filepattern, begin, end, increment=increment) else: fileList = args if len(fileList): dataStack = EDFStack.EDFStack(fileList, dtype=numpy.float32) else: print("OPTIONS:", longoptions) sys.exit(0) if outputDir is None: print("RESULTS WILL NOT BE SAVED: No output directory specified") t0 = time.time() worker = StackROIBatch() worker.setConfigurationFile(configurationFile) result = worker.batchROIMultipleSpectra(y=dataStack) if outputDir is not None: imageNames = result['names'] images = result['images'] nImages = images.shape[0] if fileRoot in [None, ""]: fileRoot = "images" if not os.path.exists(outputDir): os.mkdir(outputDir) imagesDir = os.path.join(outputDir, "IMAGES") if not os.path.exists(imagesDir): os.mkdir(imagesDir) imageList = [None] * (nImages) fileImageNames = [None] * (nImages) j = 0 for i in range(nImages): name = imageNames[i].replace(" ", "-") fileImageNames[j] = name imageList[j] = images[i] j += 1 fileName = os.path.join(imagesDir, fileRoot+".edf") ArraySave.save2DArrayListAsEDF(imageList, fileName, labels=fileImageNames) fileName = os.path.join(imagesDir, fileRoot+".csv") ArraySave.save2DArrayListAsASCII(imageList, fileName, csv=True, labels=fileImageNames) if tif: i = 0 for i in range(len(fileImageNames)): label = fileImageNames[i] fileName = os.path.join(imagesDir, fileRoot + fileImageNames[i] + ".tif") ArraySave.save2DArrayListAsMonochromaticTiff([imageList[i]], fileName, labels=[label], dtype=numpy.float32) PyMca5-5.2.2/PyMca5/PyMcaCore/SPSLayer.py0000644000276300001750000002671113136054446017674 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" """ SPSLayer.py Data derived class to access spec shared memory """ import numpy ################################################################################ #from Data import * from PyMca5.PyMcaIO import spswrap as sps ################################################################################ SOURCE_TYPE = "SPS" class SPSLayer(object): """ Specializes Data class to access Spec shared memory. Interface: Data class interface. """ def __init__(self,refresh_interval=None,info={}): """ See Data.__init__ """ self.EdfObj=None info["Class"]="SPSData" #Data.__init__(self,refresh_interval,info) self.SourceName= None self.SourceInfo= None self.GetData = self.LoadSource def GetPageInfo(self,index={}): if 'SourceName' in index: self.SetSource(index['SourceName']) if 'Key' in index: info=self.GetData(index['Key']) return info[0] def AppendPage(self,scan_info, scan_data): return scan_info,scan_data def SetSource (self,source_name=None): """ Sets a new source for data retrieving, an spec version. If spec exists, self.Source will be this spec name. Parameters: source_name: name of spec version """ if source_name==self.SourceName: return 1 if (source_name != None) and (source_name in sps.getspeclist()): self.SourceName=source_name self.Source=self.SourceName return 1 else: self.SourceName=None self.Source=None return 0 def GetSourceInfo (self, key=None): """ Returns information about the Spec version set by SetSource, to give application possibility to know about it before loading. Returns a dictionary with the keys "Size" (number of possible keys to this source) and "KeyList" (list of all available keys in this source). Each element in "KeyList" is an shared memory array name. If key is set as an array name, returns information about it. """ if self.SourceName is not None: if key is None: return self.__GetSourceInfo() elif key in sps.getarraylist(self.SourceName): return self.__GetArrayInfo(key) return None def __GetSourceInfo(self): arraylist= [] for array in sps.getarraylist(self.SourceName): arrayinfo= sps.getarrayinfo(self.SourceName, array) arraytype= arrayinfo[2] arrayflag= arrayinfo[3] if arrayflag in (sps.IS_ARRAY, sps.IS_MCA, sps.IS_IMAGE) and arraytype!=sps.STRING: arraylist.append(array) source_info={} source_info["Size"]=len(arraylist) source_info["KeyList"]=arraylist return source_info def __GetArrayInfo(self,array): info={} info["SourceType"]=SOURCE_TYPE info["SourceName"]=self.SourceName info["Key"]=array info["Source"]=self.Source arrayinfo=sps.getarrayinfo (self.SourceName,array) info["rows"]=arrayinfo[0] info["cols"]=arrayinfo[1] info["type"]=arrayinfo[2] info["flag"]=arrayinfo[3] counter=sps.updatecounter (self.SourceName,array) info["updatecounter"]=counter envdict={} keylist=sps.getkeylist (self.SourceName,array+"_ENV") for i in keylist: val=sps.getenv(self.SourceName,array+"_ENV",i) envdict[i]=val info["envdict"]=envdict calibarray= array + "_PARAM" if calibarray in sps.getarraylist(self.SourceName): try: data= sps.getdata(self.SourceName, calibarray) updc= sps.updatecounter(self.SourceName, calibarray) info["EnvKey"]= calibarray info["McaCalib"]= data.tolist()[0] info["env_updatecounter"]= updc except: pass if array in ["XIA_DATA", "XIA_BASELINE"]: envarray= "XIA_DET" if envarray in sps.getarraylist(self.SourceName): try: data= sps.getdata(self.SourceName, envarray) updc= sps.updatecounter(self.SourceName, envarray) info["EnvKey"]= envarray info["Detectors"]= data.tolist()[0] info["env_updatecounter"]= updc except: pass return info def LoadSource(self,key_list="ALL",append=0,invalidate=1,row="ALL",col="ALL"): """ Creates a given number of pages, getting data from the actual source (set by SetSource) Parameters: key_list: list of all keys to be read from source. It is a list of string, shared memory array names, to be read from the file. It can be also one single string, if only one array is to be read. append: If non-zero appends to the end of page list. Otherwise, initializes the page list invalidate: if non-zero performas an invalidade call after loading row: If set to an integer, loads a single row (0-based indexed) col: If set to an integer, loads a single column (0-based indexed) """ #AS if append==0: Data.Delete(self) if type(key_list) == type(" "): key_list=(key_list,) output =[] if self.SourceName in sps.getspeclist(): if key_list == "ALL": key_list = sps.getarraylist(self.SourceName) for array in key_list: if array in sps.getarraylist(self.SourceName): info = self.__GetArrayInfo(array) info["row"] = row info["col"] = col if info["row"]!="ALL": data= sps.getdatarow(self.SourceName, array,info["row"]) if data is not None: data=numpy.reshape(data,(1, data.shape[0])) elif info["col"]!="ALL": data= sps.getdatacol(self.SourceName, array, info["col"]) if data is not None: data=numpy.reshape(data, (data.shape[0], 1)) else: data=sps.getdata (self.SourceName, array) #self.AppendPage(info,data) output.append([info,data]) if len(output) == 1: return output[0] else: return output #AS if invalidate: self.Invalidate() def __RefreshPageOrig (source_obj,self,page): """ Virtual method, implements seeking for changes in data. Returns non-zero if the page was changed. If not implemented in the derived class, this class doesn't support dinamic changes monitoring. As pages can be copied to different Data objects, and can store the original RefreshPage method for updating, source_obj refers to the object that was origin of the page data, while self indicates the object that actually owns the page with index page. It was done this way because if it is stored the reference to the unbound method, python doesn't allow you to call it with an object of different data type. Important: Derived classes shall update the page: self.Pages[page] but not: source_obj.Pages[page] """ if (self.GetItemPageInfo("SourceType",page)==SOURCE_TYPE): specname=self.GetItemPageInfo("SourceName",page) arrayname=self.GetItemPageInfo("Key",page) updatecounter=self.GetItemPageInfo("updatecounter",page) if (updatecounter!=None) and (arrayname!=None) and (specname!=None): if specname in sps.getspeclist(): if arrayname in sps.getarraylist(specname): counter=sps.updatecounter (specname,arrayname) if (counter != updatecounter): info=self.GetPageInfo(page) info.update(self.__GetArrayInfo(arrayname)) if info["row"]!="ALL": data= sps.getdatarow(specname,arrayname,info["row"]) elif info["col"]!="ALL": data= sps.getdatacol(specname,arrayname,info["col"]) else: data=sps.getdata (specname,arrayname) self.Pages[page].Array=data return 1 infoname= self.GetItemPageInfo("EnvKey") infoupdc= self.GetItemPageInfo("env_updatecounter") if (infoupdc!=None) and (infoname!=None) and (specname!=None): if infoname in sps.getarraylist(specname): counter= sps.updatecounter(specname,infoname) if (counter!=infoupdc): info= self.GetPageInfo(page) info.update(self.__GetArrayInfo(arrayname)) return 1 return 0 def RefreshPage(self,sourcename,key): specname = sourcename arrayname= key if not sps.specrunning(specname): return 0 if sps.isupdated(specname,arrayname): return 1 else: return 0 ################################################################################ #EXEMPLE CODE: if __name__ == "__main__": import sys,time try: obj=SPSLayer() specname=sys.argv[1] arrayname=sys.argv[2] obj.SetSource(specname) obj.LoadSource(arrayname) while(1): time.sleep(1) print(obj.RefreshPage(specname,arrayname)) except: print("Usage: SPSLayer.py ") sys.exit() for i in range (obj.GetNumberPages()): print(obj.GetPageInfo(i)) print(obj.GetPageArray(i)) PyMca5-5.2.2/PyMca5/PyMcaCore/EdfFileDataSource.py0000644000276300001750000002513713136054446021504 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" from . import DataObject from PyMca5.PyMcaIO import EdfFile import types import sys import os import numpy SOURCE_TYPE = "EdfFile" DEBUG = 0 class EdfFileDataSource(object): def __init__(self,nameInput, fastedf=False): if type(nameInput) == list: nameList = nameInput else: nameList = [nameInput] if sys.version < '3.0': stringTypes = [types.StringType, types.UnicodeType] else: stringTypes = [type("a"), type(eval('b"a"'))] for name in nameList: if type(name) not in stringTypes: raise TypeError("Constructor needs string as first argument") self.sourceName = nameInput self.sourceType = SOURCE_TYPE self.__sourceNameList = nameList #this is to be added #self._fastedf = True self._fastedf = fastedf if fastedf: print("fastedf is unsafe!") self.refresh() def refresh(self): self._sourceObjectList=[] for name in self.__sourceNameList: self._sourceObjectList.append(EdfFile.EdfFile(name, access='rb', fastedf=self._fastedf)) self.__lastKeyInfo = {} def getSourceInfo(self): """ Returns information about the EdfFile object created by SetSource, to give application possibility to know about it before loading. Returns a dictionary with the key "KeyList" (list of all available keys in this source). Each element in "KeyList" has the form 'n1.n2' where n1 is the source number and n2 image number in file starting at 1. """ return self.__getSourceInfo() def __getSourceInfo(self): SourceInfo={} SourceInfo["SourceType"]=SOURCE_TYPE SourceInfo["KeyList"]=[] i = 0 for sourceObject in self._sourceObjectList: i+=1 nimages = sourceObject.GetNumImages() for n in range(nimages): SourceInfo["KeyList"].append("%d.%d" % (i,n+1)) SourceInfo["Size"]=len(SourceInfo["KeyList"]) return SourceInfo def getKeyInfo(self,key): if key in self.getSourceInfo()['KeyList']: return self.__getKeyInfo(key) else: #should we raise a KeyError? if DEBUG: print("Error key not in list ") return {} def __getKeyInfo(self,key): try: index,image = key.split(".") index = int(index)-1 image = int(image)-1 except: #should we rise an error? if DEBUG: print("Error trying to interpret key =",key) return {} sourceObject = self._sourceObjectList[index] info= sourceObject.GetStaticHeader(image) info.update(sourceObject.GetHeader(image)) info["SourceType"] = SOURCE_TYPE #doubts about if refer to the list or to the individual file info["SourceName"] = self.sourceName info["Key"] = key #specific info of interest info['FileName'] = sourceObject.FileName info["rows"] = info['Dim_2'] info["cols"] = info['Dim_1'] info["type"] = info['DataType'] if 'MCA start ch' in info: info['Channel0'] = int(info['MCA start ch']) else: info['Channel0'] = 0 if not ( 'McaCalib' in info): if ('MCA a' in info) and\ ('MCA b' in info) and\ ('MCA c' in info): info['McaCalib'] = [float(info['MCA a']), float(info['MCA b']), float(info['MCA c'])] else: info['McaCalib'] = [ 0.0, 1.0, 0.0] else: if type(info['McaCalib']) in [type(" ")]: info['McaCalib'] = info['McaCalib'].replace("[","") info['McaCalib'] = info['McaCalib'].replace("]","") cala, calb, calc = info['McaCalib'].split(",") info['McaCalib'] = [float(cala), float(calb), float(calc)] self.__lastKeyInfo[key] = os.path.getmtime(sourceObject.FileName) return info def getDataObject(self,key,selection=None): """ selection: a dictionnary with the keys pos and size: (x), (x,y) or (x,y,z) tuples defining a roi If not defined, takes full array """ sourcekeys = self.getSourceInfo()['KeyList'] #a key corresponds to an image key_split= key.split(".") image_key= key_split[0]+"."+key_split[1] if image_key not in sourcekeys: #if image_key == "0.0": # #this is in fact a special selection: The SUM # pass #else: raise KeyError("Key %s not in source keys" % image_key) #create data object data = DataObject.DataObject() data.info = self.__getKeyInfo(image_key) data.info ['selection'] = selection data.info['selectiontype'] = "2D" index = key_split[0] image = key_split[1] index = int(index)-1 image = int(image)-1 MCAIMP = 0 if len(key_split) == 4: if DEBUG: print("mca like selection") #print data.info if 1: MCAIMP = 1 if key_split[2].upper() == 'R': pos = (0, int(key_split[3])) size = (int(data.info['Dim_1']), 1) elif key_split[2].upper() == 'C': pos = (int(key_split[3]), 0) size = (1,int(data.info['Dim_2'])) data.info['selectiontype'] = "1D" else: if DEBUG: print("mca like selection not yet implemented") pos = None size = None data.info['selectiontype'] = "1D" elif selection is None: pos = None size = None else: if "pos" in selection: data.info["pos"]=selection['pos'] else: data.info['pos']=None if "size" in selection: data.info["size"]=selection['size'] else: data.info['size']=None pos = data.info['pos'] size = data.info['size'] sourceObject = self._sourceObjectList[index] data.data=sourceObject.GetData(image,Pos=pos,Size=size) data.info['rows'], data.info['cols'] = data.data.shape[0:2] if data.info['selectiontype'] == "1D": if MCAIMP: data.y = [numpy.ravel(data.data[:]).astype(numpy.float)] else: if key_split[2].upper() == 'C': data.y=[data.data[:,int(key_split[3])-1].astype(numpy.float)] elif key_split[2].upper() == 'R': data.y=[data.data[int(key_split[3])-1, :].astype(numpy.float)] else: raise ValueError("Unknown key %s" % key) ch0 = int(data.info['Channel0']) data.x = [ch0+numpy.arange(len(data.y[0])).astype(numpy.float)] data.m = None data.data = None #print "data.x.shape ", data.x[0].shape #print "data.y.shape ", data.y[0].shape return data def isUpdated(self, sourceName, key): #sourceName is redundant? index,image = key.split(".") index = int(index)-1 lastmodified = os.path.getmtime(self.__sourceNameList[index]) if lastmodified != self.__lastKeyInfo[key]: self.__lastKeyInfo[key] = lastmodified return True else: return False source_types = { SOURCE_TYPE: EdfFileDataSource} def DataSource(name="", source_type=SOURCE_TYPE): try: sourceClass = source_types[source_type] except KeyError: #ERROR invalid source type raise TypeError("Invalid Source Type, source type should be one of %s" %\ source_types.keys()) return sourceClass(name) if __name__ == "__main__": import time try: sourcename=sys.argv[1] key =sys.argv[2] except: print("Usage: EdfFileDataSource ") sys.exit() #one can use this: obj = EdfFileDataSource(sourcename) #or this: obj = DataSource(sourcename) #data = obj.getData(key,selection={'pos':(10,10),'size':(40,40)}) #data = obj.getDataObject(key,selection={'pos':None,'size':None}) t0 = time.time() data = obj.getDataObject(key,selection=None) print("elapsed = ",time.time() - t0) print("info = ",data.info) if data.data is not None: print("data shape = ",data.data.shape) print(numpy.ravel(data.data)[0:10]) else: print(data.y[0].shape) print(numpy.ravel(data.y[0])[0:10]) data = obj.getDataObject('1.1',selection=None) r = int(key.split('.')[-1]) print(" data[%d,0:10] = " % (r-1),data.data[r-1 ,0:10]) print(" data[0:10,%d] = " % (r-1),data.data[0:10, r-1]) PyMca5-5.2.2/PyMca5/PyMcaCore/StackBase.py0000644000276300001750000014650213137667364020105 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2017 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" """ Base class to handle stacks. """ from . import DataObject import numpy import time import os import sys import glob DEBUG = 0 PLUGINS_DIR = None try: import PyMca5 if os.path.exists(os.path.join(os.path.dirname(__file__), "PyMcaPlugins")): from PyMca5 import PyMcaPlugins PLUGINS_DIR = os.path.dirname(PyMcaPlugins.__file__) else: directory = os.path.dirname(__file__) while True: if os.path.exists(os.path.join(directory, "PyMcaPlugins")): PLUGINS_DIR = os.path.join(directory, "PyMcaPlugins") break directory = os.path.dirname(directory) if len(directory) < 5: break userPluginsDirectory = PyMca5.getDefaultUserPluginsDirectory() PYMCA_PLUGINS_DIR = PLUGINS_DIR if userPluginsDirectory is not None: if PLUGINS_DIR is None: PLUGINS_DIR = userPluginsDirectory else: PLUGINS_DIR = [PLUGINS_DIR, userPluginsDirectory] except: PYMCA_PLUGINS_DIR = None pass class StackBase(object): def __init__(self): self._stack = DataObject.DataObject() self._stack.x = None self._stackImageData = None self._selectionMask = None self._finiteData = True self._ROIDict = {'name': "ICR", 'type': "CHANNEL", 'calibration': [0, 1.0, 0.0], 'from': 0, 'to': -1} self._ROIImageDict = {'ROI': None, 'Maximum': None, 'Minimum': None, 'Left': None, 'Middle': None, 'Right': None, 'Background': None} self.__ROIImageCalculationIsUsingSuppliedEnergyAxis = False self._ROIImageList = [] self._ROIImageNames = [] self.__pluginDirList = [] self.pluginList = [] self.pluginInstanceDict = {} self.getPlugins() # beyond 5 million elements, iterate to calculate the sums # preventing huge intermediate use of memory when calculating # the sums. self._dynamicLimit = 5.0E6 self._tryNumpy = True def setPluginDirectoryList(self, dirlist): for directory in dirlist: if not os.path.exists(directory): raise IOError("Directory:\n%s\ndoes not exist." % directory) self.__pluginDirList = dirlist def getPluginDirectoryList(self): return self.__pluginDirList def getPlugins(self): """ Import or reloads all the available plugins. It returns the number of plugins loaded. """ if PLUGINS_DIR is not None: if self.__pluginDirList == []: if type(PLUGINS_DIR) == type([]): self.__pluginDirList = PLUGINS_DIR else: self.__pluginDirList = [PLUGINS_DIR] self.pluginList = [] for directory in self.__pluginDirList: if directory is None: continue if not os.path.exists(directory): raise IOError("Directory:\n%s\ndoes not exist." % directory) fileList = glob.glob(os.path.join(directory, "*.py")) targetMethod = 'getStackPluginInstance' # prevent unnecessary imports moduleList = [] for fname in fileList: # in Python 3, rb implies bytes and not strings f = open(fname, 'r') lines = f.readlines() f.close() f = None for line in lines: if line.startswith("def"): if line.split(" ")[1].startswith(targetMethod): moduleList.append(fname) break for module in moduleList: try: pluginName = os.path.basename(module)[:-3] if directory == PYMCA_PLUGINS_DIR: plugin = "PyMcaPlugins." + pluginName else: plugin = pluginName if directory not in sys.path: sys.path.insert(0, directory) if pluginName in self.pluginList: idx = self.pluginList.index(pluginName) del self.pluginList[idx] if plugin in self.pluginInstanceDict.keys(): del self.pluginInstanceDict[plugin] if plugin in sys.modules: if hasattr(sys.modules[plugin], targetMethod): if sys.version < '3.0': reload(sys.modules[plugin]) else: import imp imp.reload(sys.modules[plugin]) else: try: __import__(plugin) except: if directory == PYMCA_PLUGINS_DIR: plugin = "PyMca5.PyMcaPlugins." + pluginName __import__(plugin) else: raise if hasattr(sys.modules[plugin], targetMethod): self.pluginInstanceDict[plugin] = \ sys.modules[plugin].getStackPluginInstance(self) self.pluginList.append(plugin) except: if DEBUG: print("Problem importing module %s" % plugin) raise return len(self.pluginList) def setStack(self, stack, mcaindex=2, fileindex=None): #unfortunaly python 3 reports #isinstance(stack, DataObject.DataObject) as false #for DataObject derived classes like OmnicMap!!!! if id(stack) == id(self._stack): # just updated pass elif hasattr(stack, "shape") and\ hasattr(stack, "dtype"): # array like self._stack.x = None self._stack.data = stack self._stack.info['SourceName'] = "Data of unknown origin" elif isinstance(stack, DataObject.DataObject) or\ ("DataObject.DataObject" in ("%s" % type(stack))) or\ ("QStack" in ("%s" % type(stack))) or\ ("Map" in ("%s" % type(stack)))or\ ("Stack" in ("%s" % type(stack))): self._stack = stack self._stack.info['SourceName'] = stack.info.get('SourceName', "Data of unknown origin") else: self._stack.x = None self._stack.data = stack self._stack.info['SourceName'] = "Data of unknown origin" info = self._stack.info mcaIndex = info.get('McaIndex', mcaindex) if (mcaIndex < 0) and (len(self._stack.data.shape) == 3): mcaIndex = len(self._stack.data.shape) + mcaIndex fileIndex = info.get('FileIndex', fileindex) if fileIndex is None: if mcaIndex == 2: fileIndex = 0 elif mcaIndex == 0: fileIndex = 1 else: fileIndex = 0 for i in range(3): if i not in [mcaIndex, fileIndex]: otherIndex = i break self.mcaIndex = mcaIndex self.fileIndex = fileIndex self.otherIndex = otherIndex self._stack.info['McaCalib'] = info.get('McaCalib', [0.0, 1.0, 0.0]) self._stack.info['Channel0'] = info.get('Channel0', 0.0) self._stack.info['McaIndex'] = mcaIndex self._stack.info['FileIndex'] = fileIndex self._stack.info['OtherIndex'] = otherIndex self.stackUpdated() def stackUpdated(self): """ Recalculates the different images associated to the stack """ self._tryNumpy = True if hasattr(self._stack.data, "size"): if self._stack.data.size > self._dynamicLimit: self._tryNumpy = False else: # is not a numpy ndarray in any case self._tryNumpy = False previousStackImageSize = None if self._stackImageData is not None: previousStackImageSize = self._stackImageData.size if self._tryNumpy and isinstance(self._stack.data, numpy.ndarray): self._stackImageData = numpy.sum(self._stack.data, axis=self.mcaIndex, dtype=numpy.float) #original ICR mca if DEBUG: print("(self.otherIndex, self.fileIndex) = (%d, %d)" %\ (self.otherIndex, self.fileIndex)) i = max(self.otherIndex, self.fileIndex) j = min(self.otherIndex, self.fileIndex) mcaData0 = numpy.sum(numpy.sum(self._stack.data, axis=i, dtype=numpy.float), j) else: if DEBUG: t0 = time.time() shape = self._stack.data.shape if self.mcaIndex in [2, -1]: self._stackImageData = numpy.zeros((shape[0], shape[1]), dtype=numpy.float) mcaData0 = numpy.zeros((shape[2],), numpy.float) step = 1 if hasattr(self._stack, "monitor"): monitor = self._stack.monitor[:] monitor.shape = shape[2] else: monitor = numpy.ones((shape[2],), numpy.float) for i in range(shape[0]): tmpData = self._stack.data[i:i+step,:,:] numpy.add(self._stackImageData[i:i+step,:], numpy.sum(tmpData, 2), self._stackImageData[i:i+step,:]) tmpData.shape = step*shape[1], shape[2] numpy.add(mcaData0, numpy.sum(tmpData, 0), mcaData0) elif self.mcaIndex == 0: self._stackImageData = numpy.zeros((shape[1], shape[2]), dtype=numpy.float) mcaData0 = numpy.zeros((shape[0],), numpy.float) step = 1 for i in range(shape[0]): tmpData = self._stack.data[i:i+step,:,:] tmpData.shape = tmpData.shape[1:] numpy.add(self._stackImageData, tmpData, self._stackImageData) mcaData0[i] = tmpData.sum() else: raise ValueError("Unhandled case 1D index = %d" % self.mcaIndex) if DEBUG: print("Print dynamic loading elapsed = %f" % (time.time() - t0)) if DEBUG: print("__stackImageData.shape = ", self._stackImageData.shape) if previousStackImageSize != self._stackImageData.size: self._clearPositioners() calib = self._stack.info.get('McaCalib', [0.0, 1.0, 0.0]) dataObject = DataObject.DataObject() dataObject.info = {"McaCalib": calib, "selectiontype": "1D", "SourceName": "Stack", "Key": "SUM"} if not hasattr(self._stack, 'x'): self._stack.x = None if self._stack.x in [None, []]: self._stack.x = [numpy.arange(len(mcaData0)).astype(numpy.float)+\ self._stack.info.get('Channel0', 0.0)] dataObject.x = [self._stack.x[0]] else: # for the time being it can only contain one axis dataObject.x = [self._stack.x[0]] dataObject.y = [mcaData0] #store the original spectrum self._mcaData0 = dataObject #add the original image self.showOriginalImage() #add the mca goodData = numpy.isfinite(self._mcaData0.y[0].sum()) if goodData: self._finiteData = True self.showOriginalMca() else: self._finiteData = False self.handleNonFiniteData() #calculate the ROIs self._ROIDict = {'name': "ICR", 'type': "CHANNEL", 'calibration': calib, 'from': dataObject.x[0][0], 'to': dataObject.x[0][-1]} self.updateROIImages() for key in self.pluginInstanceDict.keys(): self.pluginInstanceDict[key].stackUpdated() def getStackOriginalCurve(self): # TODO: Make sure copies are returned x = self._mcaData0.x[0] y = self._mcaData0.y[0] legend = "Stack SUM" info = self._mcaData0.info return [x, y, legend, info] def isStackFinite(self): """ Returns True if stack does not contain inf or nans Returns False if stack is not finite """ return self._finiteData def handleNonFiniteData(self): text = "Your data contain infinite values or nans.\n" text += "Pixels containing those values will be ignored." print(text) def updateROIImages(self, ddict=None): if ddict is None: updateROIDict = False ddict = self._ROIDict else: updateROIDict = True xw = ddict['calibration'][0] + \ ddict['calibration'][1] * self._mcaData0.x[0] + \ ddict['calibration'][2] * (self._mcaData0.x[0] ** 2) if ddict["name"] == "ICR": i1 = 0 i2 = self._stack.data.shape[self.mcaIndex] imiddle = int(0.5 * (i1 + i2)) pos = 0.5 * (ddict['from'] + ddict['to']) if ddict["type"].upper() != "CHANNEL": imiddle = max(numpy.nonzero(xw <= pos)[0]) elif ddict["type"].upper() != "CHANNEL": #energy like ROI if xw[0] < xw[-1]: i1 = numpy.nonzero(ddict['from'] <= xw)[0] if len(i1): i1 = min(i1) else: if DEBUG: print("updateROIImages: nothing to be made") return i2 = numpy.nonzero(xw <= ddict['to'])[0] if len(i2): i2 = max(i2) + 1 else: if DEBUG: print("updateROIImages: nothing to be made") return pos = 0.5 * (ddict['from'] + ddict['to']) imiddle = max(numpy.nonzero(xw <= pos)[0]) else: i2 = numpy.nonzero(ddict['from'] <= xw)[0] if len(i2): i2 = max(i2) else: if DEBUG: print("updateROIImages: nothing to be made") return i1 = numpy.nonzero(xw <= ddict['to'])[0] if len(i1): i1 = min(i1) + 1 else: if DEBUG: print("updateROIImages: nothing to be made") return pos = 0.5 * (ddict['from'] + ddict['to']) imiddle = min(numpy.nonzero(xw <= pos)[0]) else: i1 = numpy.nonzero(ddict['from'] <= self._mcaData0.x[0])[0] if len(i1): if self._mcaData0.x[0][0] > self._mcaData0.x[0][-1]: i1 = max(i1) else: i1 = min(i1) else: i1 = 0 i1 = max(i1, 0) i2 = numpy.nonzero(self._mcaData0.x[0] <= ddict['to'])[0] if len(i2): if self._mcaData0.x[0][0] > self._mcaData0.x[0][-1]: i2 = min(i2) else: i2 = max(i2) else: i2 = 0 i2 = min(i2 + 1, self._stack.data.shape[self.mcaIndex]) pos = 0.5 * (ddict['from'] + ddict['to']) if self._mcaData0.x[0][0] > self._mcaData0.x[0][-1]: imiddle = min(numpy.nonzero(self._mcaData0.x[0] <= pos)[0]) else: imiddle = max(numpy.nonzero(self._mcaData0.x[0] <= pos)[0]) xw = self._mcaData0.x[0] self._ROIImageDict = self.calculateROIImages(i1, i2, imiddle, energy=xw) if updateROIDict: self._ROIDict.update(ddict) roiKeys = ['ROI', 'Maximum', 'Minimum', 'Left', 'Middle', 'Right', 'Background'] nImages = len(roiKeys) imageList = [None] * nImages for i in range(nImages): key = roiKeys[i] imageList[i] = self._ROIImageDict[key] title = "%s" % ddict["name"] if ddict["name"] == "ICR": cursor = "Energy" if abs(ddict['calibration'][0]) < 1.0e-5: if abs(ddict['calibration'][1] - 1) < 1.0e-5: if abs(ddict['calibration'][2]) < 1.0e-5: cursor = "Channel" elif ddict["type"].upper() == "CHANNEL": cursor = "Channel" else: cursor = ddict["type"] imageNames = [title, '%s Maximum' % title, '%s Minimum' % title, '%s %.6g' % (cursor, xw[i1]), '%s %.6g' % (cursor, xw[imiddle]), '%s %.6g' % (cursor, xw[(i2 - 1)]), '%s Background' % title] if self.__ROIImageCalculationIsUsingSuppliedEnergyAxis: imageNames[1] = "%s %s at Max." % (title, cursor) imageNames[2] = "%s %s at Min." % (title, cursor) self.showROIImageList(imageList, image_names=imageNames) def showOriginalImage(self): if DEBUG: print("showOriginalImage to be implemented") def showOriginalMca(self): if DEBUG: print("showOriginalMca to be implemented") def showROIImageList(self, imageList, image_names=None): self._ROIImageList = imageList self._ROIImageNames = image_names self._stackROIImageListUpdated() def _stackROIImageListUpdated(self): for key in self.pluginInstanceDict.keys(): self.pluginInstanceDict[key].stackROIImageListUpdated() def getStackROIImagesAndNames(self): return self._ROIImageList, self._ROIImageNames def getStackOriginalImage(self): return self._stackImageData def calculateMcaDataObject(self, normalize=False): #original ICR mca if self._stackImageData is None: return mcaData = None goodData = numpy.isfinite(self._mcaData0.y[0].sum()) if DEBUG: print("Stack data is not finite") if (self._selectionMask is None) and goodData: if normalize: if DEBUG: print("Case 1") npixels = self._stackImageData.shape[0] *\ self._stackImageData.shape[1] * 1.0 dataObject = DataObject.DataObject() dataObject.info.update(self._mcaData0.info) dataObject.x = [self._mcaData0.x[0]] dataObject.y = [self._mcaData0.y[0] / npixels]; else: if DEBUG: print("Case 2") dataObject = self._mcaData0 return dataObject #deal with NaN and inf values if self._selectionMask is None: if (self._ROIImageDict["ROI"] is not None) and\ (self.mcaIndex != 0): actualSelectionMask = numpy.isfinite(self._ROIImageDict["ROI"]) else: actualSelectionMask = numpy.isfinite(self._stackImageData) else: if (self._ROIImageDict["ROI"] is not None) and\ (self.mcaIndex != 0): actualSelectionMask = self._selectionMask * numpy.isfinite(self._ROIImageDict["ROI"]) else: actualSelectionMask = self._selectionMask * numpy.isfinite(self._stackImageData) npixels = actualSelectionMask.sum() if (npixels == 0) and goodData: if normalize: if DEBUG: print("Case 3") npixels = self._stackImageData.shape[0] * self._stackImageData.shape[1] * 1.0 dataObject = DataObject.DataObject() dataObject.info.update(self._mcaData0.info) dataObject.x = [self._mcaData0.x[0]] dataObject.y = [self._mcaData0.y[0] / npixels] else: if DEBUG: print("Case 4") dataObject = self._mcaData0 return dataObject mcaData = numpy.zeros(self._mcaData0.y[0].shape, numpy.float) n_nonselected = self._stackImageData.shape[0] *\ self._stackImageData.shape[1] - npixels if goodData: if n_nonselected < npixels: arrayMask = (actualSelectionMask == 0) else: arrayMask = (actualSelectionMask > 0) else: arrayMask = (actualSelectionMask > 0) if DEBUG: print("Reached MCA calculation") cleanMask = numpy.nonzero(arrayMask) if DEBUG: print("self.fileIndex, self.mcaIndex = %d , %d" %\ (self.fileIndex, self.mcaIndex)) if DEBUG: t0 = time.time() if len(cleanMask[0]) and len(cleanMask[1]): if DEBUG: print("USING MASK") cleanMask = numpy.array(cleanMask).transpose() if self.fileIndex == 2: if self.mcaIndex == 0: if isinstance(self._stack.data, numpy.ndarray): if DEBUG: print("In memory case 0") for r, c in cleanMask: mcaData += self._stack.data[:, r, c] else: if DEBUG: print("Dynamic loading case 0") #no other choice than to read all images #for the time being, one by one rMin = cleanMask[0][0] rMax = cleanMask[-1][0] cMin = cleanMask[:, 1].min() cMax = cleanMask[:, 1].max() #rMin, cMin = cleanMask.min(axis=0) #rMax, cMax = cleanMask.max(axis=0) tmpMask = arrayMask[rMin:(rMax+1),cMin:(cMax+1)] tmpData = numpy.zeros((1, rMax-rMin+1,cMax-cMin+1)) for i in range(self._stack.data.shape[0]): tmpData[0:1,:,:] = self._stack.data[i:i+1,rMin:(rMax+1),cMin:(cMax+1)] #multiplication is faster than selection mcaData[i] = (tmpData[0]*tmpMask).sum(dtype=numpy.float) elif self.mcaIndex == 1: if isinstance(self._stack.data, numpy.ndarray): for r, c in cleanMask: mcaData += self._stack.data[r,:,c] else: raise IndexError("Dynamic loading case 1") else: raise IndexError("Wrong combination of indices. Case 0") elif self.fileIndex == 1: if self.mcaIndex == 0: if isinstance(self._stack.data, numpy.ndarray): if DEBUG: print("In memory case 2") for r, c in cleanMask: mcaData += self._stack.data[:, r, c] else: if DEBUG: print("Dynamic loading case 2") #no other choice than to read all images #for the time being, one by one if 1: rMin = cleanMask[0][0] rMax = cleanMask[-1][0] cMin = cleanMask[:, 1].min() cMax = cleanMask[:, 1].max() #rMin, cMin = cleanMask.min(axis=0) #rMax, cMax = cleanMask.max(axis=0) tmpMask = arrayMask[rMin:(rMax + 1), cMin:(cMax + 1)] tmpData = numpy.zeros((1, rMax - rMin + 1, cMax - cMin + 1)) for i in range(self._stack.data.shape[0]): tmpData[0:1, :, :] = self._stack.data[i:i + 1, rMin:(rMax + 1), cMin:(cMax + 1)] #multiplication is faster than selection mcaData[i] = (tmpData[0] * tmpMask).sum(dtype=numpy.float) if 0: tmpData = numpy.zeros((1, self._stack.data.shape[1], self._stack.data.shape[2])) for i in range(self._stack.data.shape[0]): tmpData[0:1, :, :] = self._stack.data[i:i + 1,:,:] #multiplication is faster than selection #tmpData[arrayMask].sum() in my machine mcaData[i] = (tmpData[0] * arrayMask).sum(dtype=numpy.float) elif self.mcaIndex == 2: if isinstance(self._stack.data, numpy.ndarray): if DEBUG: print("In memory case 3") for r, c in cleanMask: mcaData += self._stack.data[r, c, :] else: if DEBUG: print("Dynamic loading case 3") #try to minimize access to the file row_list = [] row_dict = {} for r, c in cleanMask: if r not in row_list: row_list.append(r) row_dict[r] = [] row_dict[r].append(c) for r in row_list: tmpMcaData = self._stack.data[r:r + 1, row_dict[r], :] tmpMcaData.shape = -1, mcaData.shape[0] mcaData += numpy.sum(tmpMcaData, axis=0, dtype=numpy.float) else: raise IndexError("Wrong combination of indices. Case 1") elif self.fileIndex == 0: if self.mcaIndex == 1: if isinstance(self._stack.data, numpy.ndarray): if DEBUG: print("In memory case 4") for r, c in cleanMask: mcaData += self._stack.data[r, :, c] else: raise IndexError("Dynamic loading case 4") elif self.mcaIndex in [2, -1]: if isinstance(self._stack.data, numpy.ndarray): if DEBUG: print("In memory case 5") for r, c in cleanMask: mcaData += self._stack.data[r, c, :] else: if DEBUG: print("Dynamic loading case 5") #try to minimize access to the file row_list = [] row_dict = {} for r, c in cleanMask: if r not in row_list: row_list.append(r) row_dict[r] = [] row_dict[r].append(c) for r in row_list: tmpMcaData = self._stack.data[r:r + 1, row_dict[r], :] tmpMcaData.shape = -1, mcaData.shape[0] mcaData += tmpMcaData.sum(axis=0, dtype=numpy.float) else: raise IndexError("Wrong combination of indices. Case 2") else: raise IndexError("File index undefined") else: if DEBUG: print("NOT USING MASK !") if DEBUG: print("Mca sum elapsed = %f" % (time.time() - t0)) if goodData: if n_nonselected < npixels: mcaData = self._mcaData0.y[0] - mcaData if normalize: mcaData = mcaData / npixels calib = self._stack.info['McaCalib'] dataObject = DataObject.DataObject() dataObject.info = {"McaCalib": calib, "selectiontype": "1D", "SourceName": "Stack", "Key": "Selection"} dataObject.x = [self._mcaData0.x[0]] dataObject.y = [mcaData] return dataObject def calculateROIImages(self, index1, index2, imiddle=None, energy=None): if DEBUG: print("Calculating ROI images") i1 = min(index1, index2) i2 = max(index1, index2) if imiddle is None: imiddle = int(0.5 * (i1 + i2)) if energy is None: energy = self._mcaData0.x[0] if i1 == i2: dummy = numpy.zeros(self._stackImageData.shape, numpy.float) imageDict = {'ROI': dummy, 'Maximum': dummy, 'Minimum': dummy, 'Left': dummy, 'Middle': dummy, 'Right': dummy, 'Background': dummy} return imageDict isUsingSuppliedEnergyAxis = False if self.fileIndex == 0: if self.mcaIndex == 1: leftImage = self._stack.data[:, i1, :] middleImage = self._stack.data[:, imiddle, :] rightImage = self._stack.data[:, i2 - 1, :] dataImage = self._stack.data[:, i1:i2, :] background = 0.5 * (i2 - i1) * (leftImage + rightImage) roiImage = numpy.sum(dataImage, axis=1, dtype=numpy.float) maxImage = energy[(numpy.argmax(dataImage, axis=1) + i1)] minImage = energy[(numpy.argmin(dataImage, axis=1) + i1)] isUsingSuppliedEnergyAxis = True else: if DEBUG: t0 = time.time() if self._tryNumpy and\ isinstance(self._stack.data, numpy.ndarray): leftImage = self._stack.data[:, :, i1] middleImage = self._stack.data[:, :, imiddle] rightImage = self._stack.data[:, :, i2 - 1] dataImage = self._stack.data[:, :, i1:i2] background = 0.5 * (i2 - i1) * (leftImage + rightImage) roiImage = numpy.sum(dataImage, axis=2, dtype=numpy.float) maxImage = energy[numpy.argmax(dataImage, axis=2) + i1] minImage = energy[numpy.argmin(dataImage, axis=2) + i1] isUsingSuppliedEnergyAxis = True if DEBUG: print("Case 1 ROI image calculation elapsed = %f " %\ (time.time() - t0)) else: shape = self._stack.data.shape roiImage = numpy.zeros(self._stackImageData.shape, numpy.float) background = roiImage * 1 leftImage = roiImage * 1 middleImage = roiImage * 1 rightImage = roiImage * 1 maxImage = numpy.zeros(self._stackImageData.shape, numpy.uint) minImage = numpy.zeros(self._stackImageData.shape, numpy.uint) step = 1 for i in range(shape[0]): tmpData = self._stack.data[i:i+step,:, i1:i2] * 1 numpy.add(roiImage[i:i+step,:], numpy.sum(tmpData, axis=2,dtype=numpy.float), roiImage[i:i+step,:]) minImage[i:i + step,:] = i1 + numpy.argmin(tmpData, axis=2) maxImage[i:i + step, :] = i1 + numpy.argmax(tmpData, axis=2) leftImage[i:i + step, :] += tmpData[:, :, 0] middleImage[i:i + step, :] += tmpData[:, :, imiddle - i1] rightImage[i:i + step, :] += tmpData[:, :, -1] background = 0.5 * (i2 - i1) * (leftImage + rightImage) isUsingSuppliedEnergyAxis = True minImage = energy[minImage] maxImage = energy[maxImage] if DEBUG: print("2 Dynamic ROI image calculation elapsed = %f " %\ (time.time() - t0)) elif self.fileIndex == 1: if self.mcaIndex == 0: if DEBUG: t0 = time.time() if isinstance(self._stack.data, numpy.ndarray) and\ self._tryNumpy: leftImage = self._stack.data[i1, :, :] middleImage= self._stack.data[imiddle, :, :] rightImage = self._stack.data[i2 - 1, :, :] dataImage = self._stack.data[i1:i2, :, :] # this calculation is very slow but it is extremely useful # for XANES studies if 1: maxImage = energy[numpy.argmax(dataImage, axis=0) + i1] minImage = energy[numpy.argmin(dataImage, axis=0) + i1] else: # this is slower, but uses less memory maxImage = numpy.zeros(leftImage.shape, numpy.int32) minImage = numpy.zeros(leftImage.shape, numpy.int32) for i in range(i1, i2): tmpData = self._stack.data[i] tmpData.shape = leftImage.shape if i == i1: minImageData = tmpData * 1.0 maxImageData = tmpData * 1.0 minImage[:,:] = i1 maxImage[:,:] = i1 else: tmpIndex = numpy.where(tmpData < minImageData) minImage[tmpIndex] = i minImageData[tmpIndex] = tmpData[tmpIndex] tmpIndex = numpy.where(tmpData > maxImageData) maxImage[tmpIndex] = i maxImageData[tmpIndex] = tmpData[tmpIndex] minImage = energy[minImage] maxImage = energy[maxImage] isUsingSuppliedEnergyAxis = True background = 0.5 * (i2 - i1) * (leftImage + rightImage) roiImage = numpy.sum(dataImage, axis=0, dtype=numpy.float) if DEBUG: print("Case 3 ROI image calculation elapsed = %f " %\ (time.time() - t0)) else: shape = self._stack.data.shape roiImage = numpy.zeros(self._stackImageData.shape, numpy.float) background = roiImage * 1 leftImage = roiImage * 1 middleImage = roiImage * 1 rightImage = roiImage * 1 maxImage = numpy.zeros(roiImage.shape, numpy.int32) minImage = numpy.zeros(roiImage.shape, numpy.int32) istep = 1 for i in range(i1, i2): tmpData = self._stack.data[i:i + istep] tmpData.shape = roiImage.shape if i == i1: minImageData = tmpData * 1.0 maxImageData = tmpData * 1.0 minImage[:,:] = i1 maxImage[:,:] = i1 else: tmpIndex = numpy.where(tmpData < minImageData) minImage[tmpIndex] = i minImageData[tmpIndex] = tmpData[tmpIndex] tmpIndex = numpy.where(tmpData > maxImageData) maxImage[tmpIndex] = i maxImageData[tmpIndex] = tmpData[tmpIndex] numpy.add(roiImage, tmpData, roiImage) if (i == i1): leftImage = tmpData elif (i == imiddle): middleImage = tmpData elif i == (i2 - 1): rightImage = tmpData # the used approach is twice slower than argmax, but it # requires much less memory isUsingSuppliedEnergyAxis = True minImage = energy[minImage] maxImage = energy[maxImage] if i2 > i1: background = (leftImage + rightImage) * 0.5 * (i2 - i1) if DEBUG: print("Case 4 Dynamic ROI elapsed = %f" %\ (time.time() - t0)) else: if DEBUG: t0 = time.time() if self._tryNumpy and\ isinstance(self._stack.data, numpy.ndarray): leftImage = self._stack.data[:, :, i1] middleImage = self._stack.data[:, :, imiddle] rightImage = self._stack.data[:, :, i2 - 1] dataImage = self._stack.data[:, :, i1:i2] background = 0.5 * (i2 - i1) * (leftImage + rightImage) roiImage = numpy.sum(dataImage, axis=2, dtype=numpy.float) maxImage = energy[numpy.argmax(dataImage, axis=2) + i1] minImage = energy[numpy.argmin(dataImage, axis=2) + i1] isUsingSuppliedEnergyAxis = True if DEBUG: print("Case 5 ROI Image elapsed = %f" %\ (time.time() - t0)) else: shape = self._stack.data.shape roiImage = numpy.zeros(self._stackImageData.shape, numpy.float) background = roiImage * 1 leftImage = roiImage * 1 middleImage = roiImage * 1 rightImage = roiImage * 1 maxImage = roiImage * 1 minImage = roiImage * 1 step = 1 for i in range(shape[0]): tmpData = self._stack.data[i:i+step,:, i1:i2] * 1 numpy.add(roiImage[i:i+step,:], numpy.sum(tmpData, axis=2, dtype=numpy.float), roiImage[i:i+step,:]) numpy.add(minImage[i:i+step,:], numpy.min(tmpData, 2), minImage[i:i+step,:]) numpy.add(maxImage[i:i+step,:], numpy.max(tmpData, 2), maxImage[i:i+step,:]) leftImage[i:i+step, :] += tmpData[:, :, 0] middleImage[i:i+step, :] += tmpData[:, :, imiddle-i1] rightImage[i:i+step, :] += tmpData[:, :,-1] background = 0.5*(i2-i1)*(leftImage+rightImage) if DEBUG: print("Case 6 Dynamic ROI image calculation elapsed = %f" %\ (time.time() - t0)) else: #self.fileIndex = 2 if DEBUG: t0 = time.time() if self.mcaIndex == 0: leftImage = self._stack.data[i1] middleImage = self._stack.data[imiddle] rightImage = self._stack.data[i2 - 1] background = 0.5 * (i2 - i1) * (leftImage + rightImage) dataImage = self._stack.data[i1:i2] roiImage = numpy.sum(dataImage, axis=0, dtype=numpy.float) minImage = energy[numpy.argmin(dataImage, axis=0) + i1] maxImage = energy[numpy.argmax(dataImage, axis=0) + i1] isUsingSuppliedEnergyAxis = True if DEBUG: print("Case 7 Default ROI image calculation elapsed = %f" %\ (time.time() - t0)) else: leftImage = self._stack.data[:, i1, :] middleImage = self._stack.data[:, imiddle, :] rightImage = self._stack.data[:, i2 - 1, :] background = 0.5 * (i2 - i1) * (leftImage + rightImage) dataImage = self._stack.data[:, i1:i2, :] roiImage = numpy.sum(dataImage, axis=1, dtype=numpy.float) minImage = energy[numpy.argmin(dataImage, axis=1) + i1] maxImage = energy[numpy.argmax(dataImage, axis=1) + i1] isUsingSuppliedEnergyAxis = True if DEBUG: print("Case 8 Default ROI image calculation elapsed = %f" %\ (time.time() - t0)) imageDict = {'ROI': roiImage, 'Maximum': maxImage, 'Minimum': minImage, 'Left': leftImage, 'Middle': middleImage, 'Right': rightImage, 'Background': background} self.__ROIImageCalculationIsUsingSuppliedEnergyAxis = isUsingSuppliedEnergyAxis if DEBUG: print("ROI images calculated") return imageDict def setSelectionMask(self, mask): if DEBUG: print("setSelectionMask called") goodData = numpy.isfinite(self._mcaData0.y[0].sum()) if goodData: self._selectionMask = mask else: if (self._ROIImageDict["ROI"] is not None) and\ (self.mcaIndex != 0): self._selectionMask = mask * numpy.isfinite(self._ROIImageDict["ROI"]) else: self._selectionMask = mask * numpy.isfinite(self._stackImageData) for key in self.pluginInstanceDict.keys(): self.pluginInstanceDict[key].selectionMaskUpdated() def getSelectionMask(self): if DEBUG: print("getSelectionMask called") return self._selectionMask def addImage(self, image, name, info=None, replace=False, replot=True): """ Add image data to the RGB correlator """ print("Add image data not implemented") def removeImage(self, name, replace=True): """ Remove image data from the RGB correlator """ print("Remove image data not implemented") def addCurve(self, x, y, legend=None, info=None, replace=False, replot=True): """ Add the 1D curve given by x an y to the graph. """ print("addCurve not implemented") return None def removeCurve(self, legend, replot=True): """ Remove the curve associated to the supplied legend from the graph. The graph will be updated if replot is true. """ print("removeCurve not implemented") return None def getGraphXLabel(self): print("getGraphXLabel not implemented") return None def getGraphYLabel(self): print("getGraphYLabel not implemented") return None def getActiveCurve(self): """ Function to access the currently active curve. It returns None in case of not having an active curve. Default output has the form: xvalues, yvalues, legend, dict where dict is a dictionnary containing curve info. For the time being, only the plot labels associated to the curve are warranted to be present under the keys xlabel, ylabel. If just_legend is True: The legend of the active curve (or None) is returned. """ if DEBUG: print("getActiveCurve default implementation") info = {} info['xlabel'] = 'Channel' info['ylabel'] = 'Counts' legend = 'ICR Spectrum' return self._mcaData0.x[0], self._mcaData0.y[0], legend, info def getGraphXLimits(self): if DEBUG: print("getGraphXLimits default implementation") return self._mcaData0.x[0].min(), self._mcaData0.x[0].max() def getGraphYLimits(self): if DEBUG: print("getGraphYLimits default implementation") return self._mcaData0.y[0].min(), self._mcaData0.y[0].max() def getStackDataObject(self): return self._stack def getStackData(self): return self._stack.data def getStackInfo(self): return self._stack.info def setPositioners(self, positioners, copy=True): """Updates the "positioners" field in the stack info, after checking that the provided positioners have the proper number of values. :param dict positioners: Dictionary of positioners. The keys are the motor names. The values should preferably be arrays with the same number of values as there are stack pixels. Scalars are accepted if the positioner has a constant value. :param bool copy: If *True* (default), store a copy of the data. If *False*, store the original data whenever it is possible. If the dictionary contains lists, they need to be converted to numpy arrays and a copy is mandatory. :raise: TypeError if positioners is not a dict or if any positioner is not a scalar, list or numpy array. :raise: RuntimeError if any positioner is a list and copy=False """ if not isinstance(positioners, dict): raise TypeError("Dictionary expected for positioners") npixels = self.getStackOriginalImage().size stackPositioners = {} for motorName, motorValues in positioners.items(): if numpy.isscalar(motorValues) or \ (hasattr(motorValues, "ndim") and motorValues.ndim == 0): stackPositioners[motorName] = motorValues elif hasattr(motorValues, "__len__") and numpy.isscalar(motorValues[0]): # list: convert to numpy array before storing in info numMotorValues = len(motorValues) if numMotorValues == npixels: stackPositioners[motorName] = numpy.array(motorValues) elif hasattr(motorValues, "size"): # numpy array numMotorValues = motorValues.size if numMotorValues == npixels: stackPositioners[motorName] = numpy.array(motorValues, copy=copy) else: raise TypeError( "Wrong type for positioner %s. " % motorName + "Valid types are numpy arrays, scalars or list of scalars.") if DEBUG and len(stackPositioners) != len(positioners): ignored_motors = list(set(positioners.keys()) - set(stackPositioners.keys())) print("Ignored motors due to mismatch in number of values: " + ', '.join(ignored_motors)) self._stack.info["positioners"] = stackPositioners def _clearPositioners(self): """Removes the "positioners" field in the stack info""" if "positioners" in self._stack.info: self._stack.info["positioners"] = {} def getPositionersFromIndex(self, index): """Return the value of all positioners for the spectrum identified by its 1D index. If positioners are stored as 1D arrays ``a``, the value returned is simply ``a[index]``. If positioners are stored as 2D arrays, the index is applied to the flattened array. :param int index: Index of spectrum for which the the positioners value is to be returned. :return: dictionary of positioners values whose keys are the motor name :rtype: dict """ positioners = self._stack.info.get("positioners", {}) positionersAtIdx = {} if index >= self.getStackOriginalImage().size or index < 0: raise IndexError("index out of bounds") for motorName, motorValues in positioners.items(): # assert numpy.isscalar(motorValues) or hasattr(motorValues, "shape") if numpy.isscalar(motorValues): positionersAtIdx[motorName] = motorValues elif len(motorValues.shape) == 1: positionersAtIdx[motorName] = motorValues[index] else: positionersAtIdx[motorName] = motorValues.reshape((-1,))[index] return positionersAtIdx def test(): #create a dummy stack nrows = 100 ncols = 200 nchannels = 1024 a = numpy.ones((nrows, ncols), numpy.float) stackData = numpy.zeros((nrows, ncols, nchannels), numpy.float) for i in range(nchannels): stackData[:, :, i] = a * i stack = StackBase() stack.setStack(stackData, mcaindex=2) print("This should be 0 = %f" % stack.calculateROIImages(0, 0)['ROI'].sum()) print("This should be 0 = %f" % stack.calculateROIImages(0, 1)['ROI'].sum()) print("%f should be = %f" %\ (stackData[:, :, 0:10].sum(), stack.calculateROIImages(0, 10)['ROI'].sum())) if __name__ == "__main__": test() PyMca5-5.2.2/PyMca5/PyMcaCore/PyMcaBatchBuildOutput.py0000644000276300001750000002452213136054446022404 0ustar solebliss00000000000000#!/usr/bin/env python #/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import os import numpy from PyMca5.PyMcaIO import EdfFile DEBUG = 0 class PyMcaBatchBuildOutput(object): def __init__(self, inputdir=None, outputdir=None): self.inputDir = inputdir self.outputDir = outputdir def buildOutput(self, inputdir=None, outputdir=None, delete=None): if inputdir is None:inputdir = self.inputDir if inputdir is None:inputdir = os.getcwd() if outputdir is None: outputdir = self.outputDir if outputdir is None: outputdir = inputdir if delete is None: if outputdir == inputdir: delete = True if DEBUG: print("delete option = ", delete) allfiles = os.listdir(inputdir) partialedflist = [] partialdatlist = [] partialconlist = [] for filename in allfiles: if filename.endswith('000000_partial.edf'):partialedflist.append(filename) elif filename.endswith('000000_partial.dat'):partialdatlist.append(filename) elif filename.endswith('000000_partial_concentrations.txt'):partialconlist.append(filename) #IMAGES edfoutlist = [] for filename in partialedflist: if DEBUG: print("Dealing with filename %s" % filename) edflist = self.getIndexedFileList(os.path.join(inputdir, filename)) i = 0 for edfname in edflist: edf = EdfFile.EdfFile(edfname, access='rb', fastedf = 0) nImages = edf.GetNumImages() #get always the last image data0 = edf.GetData(nImages-1) data0[data0<0] = 0 if i == 0: header = edf.GetHeader(0) data = data0.copy() else: data += data0 del edf i += 1 edfname = filename.replace('_000000_partial.edf',".edf") edfoutname = os.path.join(outputdir, edfname) if DEBUG: print("Dealing with output filename %s" % edfoutname) if os.path.exists(edfoutname): if DEBUG: print("Output file already exists, trying to delete it") os.remove(edfoutname) edfout = EdfFile.EdfFile(edfoutname, access="wb") edfout.WriteImage (header , data, Append=0) del edfout edfoutlist.append(edfoutname) if delete: for filename in edflist: try: os.remove(filename) except: print("Cannot delete file %s" % filename) #DAT IMAGES datoutlist = [] for filename in partialdatlist: edflist = self.getIndexedFileList(os.path.join(inputdir, filename)) first = True for edfname in edflist: f = open(edfname) lines = f.readlines() f.close() j = 1 while (not len( lines[-j].replace("\n",""))): j += 1 if first: first = False labels = lines[0].replace("\n","").split(" ") nlabels = len(labels) nrows = len(lines) - j data = numpy.zeros((nrows, nlabels), numpy.double) inputdata = numpy.zeros((nrows, nlabels), numpy.double) chisqIndex = labels.index('chisq') for i in range(nrows): inputdata[i, :] = [float(x) for x in lines[i+1].split()] if inputdata[i, chisqIndex] < 0.0: inputdata[i, chisqIndex] = 0.0 data += inputdata outfilename = os.path.join(outputdir, filename.replace("_000000_partial","")) if os.path.exists(outfilename): os.remove(outfilename) outfile=open(outfilename,'w+') outfile.write('%s' % lines[0]) line="" for row in range(nrows): #line = "%d" % inputdata[row, 0] for col in range(nlabels): if col == 0 : line += "%d" % inputdata[row, col] elif col == 1 : line += " %d" % inputdata[row, col] else: line += " %g" % data[row, col] line += "\n" outfile.write("%s" % line) line ="" outfile.write("\n") outfile.close() datoutlist.append(outfilename) if delete: for filename in edflist: os.remove(filename) #CONCENTRATIONS outconlist = [] for filename in partialconlist: edflist = self.getIndexedFileList(os.path.join(inputdir, filename)) i = 0 for edfname in edflist: edf = open(edfname, 'rb') if i == 0: outfilename = os.path.join(outputdir, filename.replace("_000000_partial","")) if os.path.exists(outfilename): os.remove(outfilename) outfile = open(outfilename,'wb') lines = edf.readlines() for line in lines: outfile.write(line) edf.close() i += 1 outfile.close() outconlist.append(outfilename) if delete: for filename in edflist: os.remove(filename) return edfoutlist, datoutlist, outconlist def getIndexedFileList(self, filename, begin=None,end=None, skip = None, fileindex=0): name = os.path.basename(filename) n = len(name) i = 1 numbers = ['0', '1', '2', '3', '4', '5', '6', '7', '8','9'] while (i <= n): c = name[n-i:n-i+1] if c in ['0', '1', '2', '3', '4', '5', '6', '7', '8', '9']: break i += 1 suffix = name[n-i+1:] if len(name) == len(suffix): #just one file, one should use standard widget #and not this one. self.loadFileList(filename, fileindex=fileindex) else: nchain = [] while (i<=n): c = name[n-i:n-i+1] if c not in ['0', '1', '2', '3', '4', '5', '6', '7', '8', '9']: break else: nchain.append(c) i += 1 number = "" nchain.reverse() for c in nchain: number += c fformat = "%" + "0%dd" % len(number) if (len(number) + len(suffix)) == len(name): prefix = "" else: prefix = name[0:n-i+1] prefix = os.path.join(os.path.dirname(filename),prefix) if not os.path.exists(prefix + number + suffix): print("Internal error in EDFStack") print("file should exist: %s " % (prefix + number + suffix)) return i = 0 if begin is None: begin = 0 testname = prefix+fformat % begin+suffix while not os.path.exists(prefix+ fformat % begin+suffix): begin += 1 testname = prefix+fformat % begin+suffix if len(testname) > len(filename):break i = begin else: i = begin if not os.path.exists(prefix+fformat % i+suffix): raise ValueError("Invalid start index file = %s" % \ (prefix+fformat % i+suffix)) f = prefix+fformat % i+suffix filelist = [] while os.path.exists(f): filelist.append(f) i += 1 if end is not None: if i > end: break f = prefix+fformat % i+suffix return filelist if __name__ == "__main__": import sys if len(sys.argv) < 2: print("Usage:") print("python PyMcaBatchBuildOutput.py directory") sys.exit(0) directory = sys.argv[1] w = PyMcaBatchBuildOutput(directory) w.buildOutput() """ allfiles = os.listdir(directory) edflist = [] datlist = [] for filename in allfiles: if filename.endswith('000000_partial.edf'):edflist.append(filename) elif filename.endswith('000000_partial.dat'):datlist.append(filename) for filename in edflist: print w.getIndexedFileList(os.path.join(directory, filename)) """ PyMca5-5.2.2/PyMca5/PyMcaCore/XiaEdf.py0000644000276300001750000006004413136054446017367 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "E. Papillon - ESRF Software Group" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import os, os.path import numpy from PyMca5.PyMcaIO import EdfFile __version__="$Revision: 1.15 $" XiaStatIndex= { "det": 0, "evt": 1, "icr": 2, "ocr": 3, "lt" : 4, "dt" : 5 } XiaStatNb= len(XiaStatIndex.keys()) XiaStatLabels= ["xdet", "xevt", "xicr", "xocr", "xlt", "xdt"] def checkEdfForRead(filename): if not os.path.isfile(filename): raise XiaEdfError("Cannot find file <%s>"%filename) else: try: if os.path.getsize(filename)==0: raise XiaEdfError("File <%s> has a null size "%filename) except: raise XiaEdfError("Cannot open file <%s>"%filename) def openEdf(filename, read=0, write=0, force=0): if read: checkEdfForRead(filename) if write: checkEdfForWrite(filename, force) try: edf= EdfFile.EdfFile(filename) except: raise XiaEdfError("Cannot open EDF file <%s>"%filename) return edf def checkEdfForWrite(filename, force=0): if os.path.isfile(filename): if not force: raise XiaEdfError("<%s> already exist. Abort saving."%filename) else: os.remove(filename) if os.path.isfile(filename): raise XiaEdfError("Cannot remove <%s>. Abort saving."%filename) class XiaEdfError(Exception): def __init__(self, message): self.msg= message def __str__(self): return "XiaEdf ERROR: %s"%self.msg class XiaEdfCountFile: def __init__(self, filename): self.filename= filename self.edf= openEdf(filename, read=1) self.reset() def reset(self): self.data= None self.header= None try: self.__readStat() except: raise XiaEdfError("Cannot parse header in <%s>"%filename) def __readStat(self): self.header= self.edf.GetHeader(0) self.nbDet= int(self.header.get("xnb", 0)) if not self.nbDet: self.detList= [] self.statArray= None return self.nbDet self.detList= range(self.nbDet) det= self.header.get("xdet", None) if det is not None: dets= det.split() if len(dets)==self.nbDet: self.detList= map(int, dets) self.statArray = numpy.zeros(XiaStatNb*self.nbDet, numpy.int) idx= 0 for det in self.detList: self.statArray[idx+XiaStatIndex["det"]]= int(self.header.get("xdet%02d"%det, det)) self.statArray[idx+XiaStatIndex["evt"]]= int(self.header.get("xevt%02d"%det, 0)) self.statArray[idx+XiaStatIndex["icr"]]= int(self.header.get("xicr%02d"%det, 1)) self.statArray[idx+XiaStatIndex["ocr"]]= int(self.header.get("xocr%02d"%det, 1)) self.statArray[idx+XiaStatIndex["lt"]]= int(self.header.get("xlt%02d"%det, 1)) self.statArray[idx+XiaStatIndex["dt"]]= int(self.header.get("xdt%02d"%det, 0)) idx += 6 def __getData(self): self.__readData() return self.data def __readData(self): if self.data is None: try: self.data= self.edf.GetData(0) except: raise XiaEdfError("Cannot read data in <%s>"%self.filename) def getDetList(self): return self.detList def getData(self, detector=-1): # --- WARNING: first index is channels data= self.__getData() if detector==-1: return data[1:] else: if detector not in self.detList: return None idx= self.detList.index(detector) return data[idx+1] def getStat(self, detector=-1): if detector==-1: return self.statArray else: if detector not in self.detList: return None idx= self.detList.index(detector) return self.statArray[(idx*XiaStatNb):((idx+1)*XiaStatNb)] def correct(self, deadtime=1, livetime=0): message= [] corrflag= int(self.header.get("xcorr", 0)) if livetime and corrflag&2: raise XiaEdfError("<%s> seems already livetime corrected"%self.filename) if deadtime and corrflag&1: raise XiaEdfError("<%s> seems already deadtime corrected"%self.filename) self.__readData() self.data= self.data.astype(numpy.float) if livetime: lvt= numpy.zeros((self.nbDet,1), numpy.float) derr= [] for idx in range(len(self.detList)): lvt[idx]= self.statArray[idx*XiaStatNb + XiaStatIndex["lt"]] / 1000.0 if lvt[idx]==0.: lvt[idx]= 1. derr.append("#%02d"%self.detList[idx]) if len(derr): message.append("Null livetime on det %s"% " ".join(derr)) self.data[1:,:]= self.data[1:,:] / lvt self.header["xcorr"]= corrflag|2 if deadtime: rate= numpy.zeros((self.nbDet,1), numpy.float) for idx in range(len(self.detList)): derr= [] try: rate[idx]= float(self.statArray[idx*XiaStatNb + XiaStatIndex["icr"]]) / \ float(self.statArray[idx*XiaStatNb + XiaStatIndex["ocr"]]) except: rate[idx]= 1. derr.append("#%02d"%idx) if len(derr): message.append("Null OCR on det %s" % " ".join(derr)) self.data[1:,:]= self.data[1:,:] * rate self.header["xcorr"]= corrflag|1 return message def sum(self, sums=[], deadtime=0, livetime=0, average=0): message= [] if not len(sums): return message self.__readData() if deadtime or livetime: message+= self.correct(deadtime, livetime) else: self.data= self.data.astype(numpy.float) sumdata= numpy.zeros((len(sums), self.data.shape[1]), numpy.float) for idx in range(len(sums)): if not len(sums[idx]): sumdata[idx,:] = numpy.sum(self.data[1:,], 0) xdet= self.detList else: mask= numpy.zeros((self.nbDet+1,1), numpy.int) xdet= [] for det in sums[idx]: if det in self.detList: detidx= self.detList.index(det) mask[detidx+1]= 1 xdet.append(det) sumdata[idx,:]= numpy.sum(self.data*mask, 0) self.header["xcorr%d"%idx] = self.header.get("xcorr", 0) self.header["xdet%d"%idx] = " ".join([str(det) for det in xdet]) if average: self.data= sumdata / len(xdet) else: self.data= sumdata for key in self.header.keys(): if key[0]=='x': try: det= int(key[-2:]) del self.header[key] except: pass dataflag= int(self.header.get("xdata", 0)) self.header["xdata"]= dataflag | (1<<2) self.header["xnb"]= len(sums) return message def save(self, filename, force=0): edf= openEdf(filename, write=1, force=force) self.__readData() edf.WriteImage(self.header, self.data) class XiaEdfScanFile: def __init__(self, statfile, detfiles): self.statfile= statfile self.detfiles= detfiles self.detector= None self.data= None self.header= None checkEdfForRead(self.statfile) for file in self.detfiles: checkEdfForRead(file) try: self.__readStat() except: raise XiaEdfError("Cannot parse header in <%s>"%self.statfile) def __readStat(self): edf= openEdf(self.statfile) header= edf.GetHeader(0) self.nbDet= int(header.get("xnb", 0)) if not self.nbDet: self.detList= [] self.statArray= None return self.nbDet self.detList= range(self.nbDet) det= header.get("xdet", None) if det is not None: dets= det.split() if len(dets)==self.nbDet: self.detList= map(int, dets) self.statArray= edf.GetData(0) return self.nbDet def __readData(self, detector): if detector!=self.detector: self.detector= None self.data= None self.header= None #try: if 1: if detector in self.detList: idx= self.detList.index(detector) if idx < len(self.detfiles): file= self.detfiles[idx] edf= openEdf(self.detfiles[idx]) header= edf.GetHeader(0) xdet= int(header.get("xdet", -1)) if xdet==-1 or xdet==detector: self.data= edf.GetData(0) self.header= header self.detector= xdet if self.data is None: for file in self.detfiles: edf= openEdf(file) header= edf.GetHeader(0) xdet= int(header.get("xdet", -1)) if xdet==detector: self.data= edf.GetData(0) self.header= header self.detector= xdet break else: #except: raise XiaEdfError("Cannot read data on det #%02d in <%s>"%(detector, file)) if self.data is None: raise XiaEdfError("Cannot read data on det #%02d"%detector) def getDetList(self): return self.detList def getData(self, detector): self.__readData(detector) return self.data def getStat(self, detector=-1): if detector==-1: return self.statArray else: if detector not in self.detList: return None idx= self.detList.index(detector) return self.statArray[:,(idx*XiaStatNb):((idx+1)*XiaStatNb)] def correct(self, detector, deadtime=1, livetime=0): message= [] if detector!=self.detector: self.__readData(detector) corrflag= int(self.header.get("xcorr", 0)) if livetime and corrflag&2: raise XiaEdfError("det #%02d seems already livetime corrected"%detector) if deadtime and corrflag&1: raise XiaEdfError("det #%02d seems already deadtime corrected"%detector) self.data= self.data.astype(numpy.float) idx= self.detList.index(detector) pts= self.statArray.shape[0] if livetime: lvt= numpy.zeros((pts, 1), numpy.float) lvt[:,0]= self.statArray[:,((XiaStatNb*idx)+XiaStatIndex["lt"])] / 1000.0 perr= self.__checkNullLivetime(lvt, pts) if len(perr): message.append("Null livetime on det #%02d points %s"%(detector, self.__pointRange(perr))) self.data= self.data / lvt self.header["xcorr"]= corrflag|2 if deadtime: rate= numpy.zeros((self.statArray.shape[0], 1), numpy.float) count= numpy.zeros((self.statArray.shape[0], 2), numpy.float) count[:,0]= self.statArray[:, (XiaStatNb*idx)+XiaStatIndex["ocr"]] count[:,1]= self.statArray[:, (XiaStatNb*idx)+XiaStatIndex["icr"]] perr= self.__checkNullCount(count, pts) if len(perr): message.append("Null ICR|OCR on det #%02d points %s"%(detector, self.__pointRange(perr))) perr= [] for ipt in range(pts): if count[ipt,0]>0 and count[ipt,1]>0: rate[ipt,0]= count[ipt,1]/count[ipt,0] else: rate[ipt,0]= 1. perr.append(ipt) if len(perr): message.append("No DeadTime correction perfomed on det #%02d points %s"%(detector, self.__pointRange(perr))) self.data= self.data * rate self.header["xcorr"]= corrflag|1 return message def __checkNullCount(self, count, pts): perr= [] check= numpy.sum(numpy.greater(count,0.), 1) for ipt in range(pts): if check[ipt]!=2: perr.append(ipt) if (ipt!=0 and check[ipt-1]==2) and (ipt!=pts-1 and check[ipt+1]==2): count[ipt,:]= (count[ipt-1,:]+count[ipt+1,:])/2. elif (ipt!=0 and check[ipt-1]==2): count[ipt,:]= count[ipt-1,:] elif (ipt!=pts-1 and check[ipt+1]==2): count[ipt,:]= count[ipt+1,:] else: count[ipt,:]= -1 return perr def __checkNullLivetime(self, lvt, pts): perr= [] check= numpy.greater(lvt, 0.) for ipt in range(pts): if check[ipt]==0: perr.append(ipt) if (ipt!=0 and check[ipt-1]==1) and (ipt!=pts-1 and check[ipt+1]==1): lvt[ipt,0]= (lvt[ipt+1]+lvt[ipt-1])/2. elif (ipt!=0 and check[ipt-1]==1): lvt[ipt,0]= lvt[ipt-1,0] elif (ipt!=pts-1 and check[ipt+1]==1): lvt[ipt,0]= lvt[ipt+1,0] else: lvt[ipt,0]= 1. return perr def __pointRange(self, ptlist): nb= len(ptlist) ptdiff= [] for idx in range(nb-1): ptdiff.append(((ptlist[idx+1]-ptlist[idx])==1)) ptdiff.append(0) ptrange= [] curr= None for idx in range(nb): if ptdiff[idx]: if curr is None: curr= ptlist[idx] else: if curr is None: ptrange.append(str(ptlist[idx])) else: ptrange.append("%d-%d"%(curr,ptlist[idx])) curr= None return "["+ ",".join(ptrange)+"]" def sum(self, detectors=[], deadtime=0, livetime=0, average=0): message= [] if not len(detectors): sumdet= self.detList else: sumdet= [ det for det in detectors if det in self.detList ] sumdata= None for det in sumdet: if deadtime or livetime: message+= self.correct(det, deadtime, livetime) else: self.__readData(det) self.data= self.data.astype(numpy.float) if sumdata is None: sumdata= self.data * 1.0 else: sumdata= sumdata + self.data if average: self.data= sumdata / len(sumdet) else: self.data= sumdata dataflag= int(self.header.get("xdata", 0)) self.header["xdata"]= dataflag | (1<<2) self.header["xnb"]= 1 self.header["xdet"]= " ".join([str(det) for det in sumdet]) return message def save(self, filename, force=0): if self.data is None: raise XiaEdfError("Cannot save. No data loaded.") edf= openEdf(filename, write=1, force=force) edf.WriteImage(self.header, self.data) class XiaFilename: def __init__(self, filename=None): self.__reset() if filename is not None: self.__parseFilename(filename) def setType(self, type, det=None): self.type= type self.det= det def getType(self): return self.type def isValid(self): return self.type is not None def isCount(self): return (self.type=="ct" or (self.type=="sum" and self.det==-1)) def isScan(self): return (self.type=="det" or self.type=="st" or (self.type=="sum" and self.det>0)) def isSum(self): return (self.type=="sum") def isStat(self): return (self.type=="st") def findStatFile(self): xf= XiaFilename(self.get()) xf.setType("st") if os.path.isfile(xf.get()): return xf else: return None def isGroupedWith(self, other): if (self.isScan() and other.isScan()) or (self.isCount() and other.isCount()): file1= "%s/%s"%(self.dir is None and "." or self.dir, self.prefix is None and "" or self.prefix) file2= "%s/%s"%(other.dir is None and "." or other.dir, other.prefix is None and "" or other.prefix) res= cmp(file1, file2) if res!=0: return 0 res= cmp(self.index, other.index) if res!=0: return 0 file1= "%s.%s"%(self.suffix is None and "" or self.suffix, self.ext is None and "" or self.ext) file2= "%s.%s"%(other.suffix is None and "" or other.suffix, other.ext is None and "" or other.ext) res= cmp(file1, file2) if res!=0: return 0 return 1 else: return 0 def setDirectory(self, dirname): if dirname is None: self.dir= "." else: self.dir= dirname def appendPrefix(self, name): if self.prefix is None: self.prefix= name elif name is not None: self.prefix= "%s_%s"%(self.prefix, name) def getDetector(self): if self.type!="det": return None else: return self.det def set(self, filename): self.__reset() if filename is not None: self.__parseFilename(filename) def get(self): self.__createFilename() return self.file def __reset(self): self.file= None # --- full filename self.dir = None # --- directory self.type= None # --- file type = "ct", "st", "det" self.index= [] # --- file indexes self.suffix= None # --- suffix self.det= None # --- if type=="det", detector number def __parseFilename(self, filename): self.file= os.path.basename(filename) self.dir= os.path.dirname(filename) if not len(self.dir): self.dir= "." fileext= os.path.splitext(self.file) if len(fileext[1]): self.ext= fileext[1][1:] filelist= fileext[0].split("_") xiaidx= 0 for xiaidx in range(len(filelist)): if filelist[xiaidx][0:3]=="xia": break xiaidx += 1 if xiaidx==len(filelist): self.type= None self.prefix= fileext[0] else: self.prefix= "_".join(filelist[0:xiaidx]) try: self.index= map(int, filelist[xiaidx+1:]) except: self.suffix= "_".join(filelist[xiaidx+1:]) type= filelist[xiaidx][3:] if type=="ct" or type=="st": self.type= type elif type[0]=='S': self.type= "sum" if type[1]=='N': self.det= -1 else: try: self.det= int(type[1]) except: self.type= None else: try: self.type= "det" self.det= int(type) except: self.type= None def __createFilename(self): if self.prefix is None or self.type is None: self.file= None else: self.file= "%s/%s"%(self.dir, self.prefix) xia= None if self.type=="ct": xia= "xiact" elif self.type=="st": xia= "xiast" elif self.type=="sum": if self.det==-1: xia= "xiaSN" else: xia= "xiaS%01d"%self.det elif self.type=="det": xia= "xia%02d"%self.det elif self.type is not None: xia= "xia%s"%self.type if xia is not None: self.file= "%s_%s"%(self.file, xia) for idx in self.index: self.file= "%s_%04d"%(self.file, idx) if self.suffix is not None: self.file= "%s_%s"%(self.file, self.suffix) if self.ext is not None: self.file= "%s.%s"%(self.file, self.ext) def __cmp__(self, other): file1= "%s/%s"%(self.dir is None and "." or self.dir, self.prefix is None and "" or self.prefix) file2= "%s/%s"%(other.dir is None and "." or other.dir, other.prefix is None and "" or other.prefix) res= cmp(file1, file2) if res!=0: return res res= cmp(self.ext, other.ext) if res!=0: return res res= cmp(self.index, other.index) if res!=0: return res res= cmp(self.type, other.type) if res!=0: return res if self.type=="det" or self.type=="sum": res= cmp(self.det, other.det) if res!=0: return res file1= "%s.%s"%(self.suffix is None and "" or self.suffix, self.ext is None and "" or self.ext) file2= "%s.%s"%(other.suffix is None and "" or other.suffix, other.ext is None and "" or other.ext) return cmp(file1, file2) def testScan(): x= XiaEdfScanFile("data/test_xiast_0000_0000_0000.edf", ["data/test_xia00_0000_0000_0000.edf", "data/test_xia01_0000_0000_0000.edf", "data/test_xia02_0000_0000_0000.edf", "data/test_xia03_0000_0000_0000.edf", "data/test_xia04_0000_0000_0000.edf", "data/test_xia05_0000_0000_0000.edf", "data/test_xia06_0000_0000_0000.edf", "data/test_xia07_0000_0000_0000.edf", "data/test_xia08_0000_0000_0000.edf", "data/test_xia09_0000_0000_0000.edf", "data/test_xia10_0000_0000_0000.edf", "data/test_xia11_0000_0000_0000.edf", ]) x.sum([1,10]) print(x.header) x.save("test_sum.edf") #for det in [1, 2, 3, 4, 5, 6]: # x.correct(det, livetime=1) # x.save(det, "scan_corr_xia%02d.edf"%det) def testAcq(infile, outfile=None): print("Reading ", infile) x= XiaEdfCountFile(infile) #print "DeadTime Correction ..." #x.correct() x.sum([1,10]) if outfile is not None: print(x.header) print("Saving %s" % outfile) x.save(outfile) if __name__=="__main__": import sys testScan() sys.exit(0) if len(sys.argv)<2: print("%s []" % sys.argv[0]) sys.exit(0) else: infile= sys.argv[1] outfile= len(sys.argv)>=3 and sys.argv[2] or None testAcq(infile, outfile) PyMca5-5.2.2/PyMca5/PyMcaCore/StackPluginBase.py0000644000276300001750000001645513136054446021255 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2017 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" __doc__=""" A Stack plugin is a module that will be automatically added to the PyMca stack windows in order to perform user defined operations on the data stack. It has to inherit the StackPluginBase.StackPluginBase class and implement the methods: - getMethods - getMethodToolTip (optional but convenient) - getMethodPixmap (optional) - applyMethod and modify the static module variable MENU_TEXT and the static module function getStackPluginInstance according to the defined plugin. These plugins will be compatible with any stack window that provides the functions: #data related - getStackDataObject - getStackData - getStackInfo - setStack - getStackROIImagesAndNames - isStackFinite - getStackOriginalCurve - getStackOriginalImage #mask related - setStackSelectionMask - getStackSelectionMask #displayed curves - getActiveCurve - getGraphXLimits - getGraphYLimits - getGraphXLabel - getGraphYLabel #images - addImage - removeImage - replaceImage #information method - stackUpdated - selectionMaskUpdated - stackClosed """ import weakref DEBUG = 0 class StackPluginBase(object): def __init__(self, stackWindow, **kw): """ stackWindow is the object instantiating the plugin. Unless one knows what (s)he is doing, only a proxy should be used. I pass the actual instance to keep all doors open. """ self._stackWindow = weakref.proxy(stackWindow) pass #stack related functions def isStackFinite(self): return self._stackWindow.isStackFinite() def getStackROIImagesAndNames(self): return self._stackWindow.getStackROIImagesAndNames() def getStackDataObject(self): return self._stackWindow.getStackDataObject() def getStackDataObjectList(self): return self._stackWindow.getStackDataObjectList() def getStackData(self): return self._stackWindow.getStackData() def getStackOriginalCurve(self): return self._stackWindow.getStackOriginalCurve() def getStackOriginalImage(self): return self._stackWindow.getStackOriginalImage() def getStackInfo(self): return self._stackWindow.getStackInfo() def getStackSelectionMask(self): return self._stackWindow.getSelectionMask() def setStackSelectionMask(self, mask, instance_id=None): if instance_id is None: instance_id = id(self) return self._stackWindow.setSelectionMask(mask, instance_id=instance_id) def setStack(self, *var, **kw): return self._stackWindow.setStack(*var, **kw) def addImage(self, image, name): return self._stackWindow.addImage(image, name) def removeImage(self, name): return self._stackWindow.removeImage(name) def replaceImage(self, image, name): return self._stackWindow.replaceImage(image, name) #Plot window related functions def getActiveCurve(self): """ Function to access the currently active curve. It returns None in case of not having an active curve. Output has the form: xvalues, yvalues, legend, dict where dict is a dictionnary containing curve info. For the time being, only the plot labels associated to the curve are warranted to be present under the keys xlabel, ylabel. """ return self._stackWindow.getActiveCurve() def getGraphXLimits(self): """ Get the graph X limits. """ return self._stackWindow.getGraphXLimits() def getGraphYLimits(self): """ Get the graph Y limits. """ return self._stackWindow.getGraphYLimits() def getGraphXLabel(self): """ Get the graph X label """ return self._stackWindow.getGraphXLabel() def getGraphYLabel(self): """ Get the graph Y label """ return self._stackWindow.getGraphYLabel() def stackUpdated(self): if DEBUG: print("stackUpdated(self) not implemented") def stackROIImageListUpdated(self): if DEBUG: print("stackROIImageListUpdated(self) not implemented") return def stackClosed(self): """ This method is called when the stack widget is closed. You can implement this to shut down the plugin (close widgets...). By default, widgets referenced as self.widget and self._widget are closed. """ if hasattr(self, "widget") and self.widget is not None: self.widget.close() if hasattr(self, "_widget") and self._widget is not None: self._widget.close() def selectionMaskUpdated(self): if DEBUG: print("selectionMaskUpdated(self) not implemented") #Methods to be implemented by the plugin def getMethods(self): """ A list with the NAMES associated to the callable methods that are applicable to the specified stack. """ print("BASE STACK getMethods not implemented") return [] def getMethodToolTip(self, name): """ Returns the help associated to the particular method name or None. """ return None def getMethodPixmap(self, name): """ Returns the pixmap associated to the particular method name or None. """ return None def applyMethod(self, name): """ The plugin is asked to apply the method associated to name. """ print("applyMethod not implemented") return MENU_TEXT = "StackPluginBase" def getStackPluginInstance(stackWindow, **kw): ob = StackPluginBase(stackWindow) return ob PyMca5-5.2.2/PyMca5/PyMcaCore/PyMcaDirs.py0000644000276300001750000000734013136054446020062 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2016 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os DEBUG = 0 inputDir = None outputDir = None nativeFileDialogs = False class __ModuleWrapper: def __init__(self, wrapped): self.__dict__["_ModuleWrapper__wrapped"] = wrapped def __getattr__(self, name): if DEBUG: print("getting ", name) if name == "inputDir": if self.__wrapped.__dict__[name] is None: if self.__wrapped.__dict__['outputDir'] is not None: value = self.__wrapped.__dict__['outputDir'] else: value = os.getcwd() if not os.path.isdir(value): value = os.getcwd() self.__setattr__('inputDir', value) elif name == "outputDir": if self.__wrapped.__dict__[name] is None: if self.__wrapped.__dict__['inputDir'] is not None: value = self.__wrapped.__dict__['inputDir'] else: value = os.getcwd() if not os.path.isdir(value): value = os.getcwd() self.__setattr__('outputDir', value) if DEBUG: print("got ", name, getattr(self.__wrapped, name)) return getattr(self.__wrapped, name) def __setattr__(self, name, value): if DEBUG: print("setting ", name, value) if name == "inputDir": if os.path.isdir(value): self.__wrapped.__dict__[name]=value else: if not len("%s" % value): self.__wrapped.__dict__[name] = os.getcwd() else: raise ValueError("Non-existing directory <%s>" % value) elif name == "outputDir": if os.path.isdir(value): self.__wrapped.__dict__[name]=value else: if not len("%s" % value): self.__wrapped.__dict__[name] = os.getcwd() else: raise ValueError("Non-existing directory <%s>" % value) elif name == "nativeFileDialogs": self.__wrapped.__dict__[name]=value elif name.startswith("__"): self.__dict__[name]=value else: raise AttributeError("Invalid attribute %s" % name) #self.__wrapped.__dict__[name]=value sys.modules[__name__]=__ModuleWrapper(sys.modules[__name__]) PyMca5-5.2.2/PyMca5/PyMcaCore/SpsDataSource.py0000644000276300001750000004003113203352103020723 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2017 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import copy from . import DataObject from PyMca5.PyMcaIO import spswrap as sps DEBUG = 0 SOURCE_TYPE = 'SPS' class SpsDataSource(object): def __init__(self, name): if not isinstance(name, str): raise TypeError("Constructor needs string as first argument") self.name = name self.sourceName = name self.sourceType = SOURCE_TYPE def refresh(self): pass def getSourceInfo(self): """ Returns information about the Spec version in self.name to give application possibility to know about it before loading. Returns a dictionary with the key "KeyList" (list of all available keys in this source). Each element in "KeyList" is an shared memory array name. """ return self.__getSourceInfo() def getKeyInfo(self, key): if key in self.getSourceInfo()['KeyList']: return self.__getArrayInfo(key) else: return {} def getDataObject(self, key_list, selection=None): if type(key_list) not in [type([])]: nolist = True key_list = [key_list] else: output = [] nolist = False if self.name in sps.getspeclist(): sourcekeys = self.getSourceInfo()['KeyList'] for key in key_list: #a key corresponds to an array name if key not in sourcekeys: raise KeyError("Key %s not in source keys" % key) #array = key #create data object data = DataObject.DataObject() data.info = self.__getArrayInfo(key) data.info['selection'] = selection data.data = sps.getdata(self.name, key) if nolist: if selection is not None: scantest = (data.info['flag'] & sps.TAG_SCAN) == sps.TAG_SCAN if ((key in ["SCAN_D"]) or scantest) \ and 'cntlist' in selection: data.x = None data.y = None data.m = None if 'nopts' in data.info: nopts = data.info['nopts'] elif 'nopts' in data.info['envdict']: nopts = int(data.info['envdict']['nopts']) + 1 else: nopts = data.info['rows'] if not 'LabelNames' in data.info: data.info['LabelNames'] =\ selection['cntlist'] * 1 newMemoryProblem = len(data.info['LabelNames']) != len(selection['cntlist']) # check the current information is up-to-date # (new HKL handling business) actualLabelSelection = {'x':[], 'y':[], 'm':[]} for tmpKey in ['x', 'y', 'm']: if tmpKey in selection: for labelIndex in selection[tmpKey]: actualLabelSelection[tmpKey].append( \ selection['cntlist'][labelIndex]) if 'x' in selection: for labelindex in selection['x']: #label = selection['cntlist'][labelindex] label = data.info['LabelNames'][labelindex] if label not in data.info['LabelNames']: raise ValueError("Label %s not in scan labels" % label) index = data.info['LabelNames'].index(label) if data.x is None: data.x = [] data.x.append(data.data[:nopts, index]) if 'y' in selection: #for labelindex in selection['y']: for label in actualLabelSelection['y']: #label = data.info['LabelNames'][labelindex] if label not in data.info['LabelNames']: raise ValueError("Label %s not in scan labels" % label) index = data.info['LabelNames'].index(label) if data.y is None: data.y = [] data.y.append(data.data[:nopts, index]) if 'm' in selection: #for labelindex in selection['m']: for label in actualLabelSelection['m']: #label = data.info['LabelNames'][labelindex] if label not in data.info['LabelNames']: raise ValueError("Label %s not in scan labels" % label) index = data.info['LabelNames'].index(label) if data.m is None: data.m = [] data.m.append(data.data[:nopts, index]) data.info['selectiontype'] = "1D" data.info['scanselection'] = True if newMemoryProblem: newSelection = copy.deepcopy(selection) for tmpKey in ['x', 'y', 'm']: if tmpKey in selection: for i in range(len(selection[tmpKey])): if tmpKey == "x": label = data.info['LabelNames'][selection[tmpKey][i]] else: label = selection['cntlist'][selection[tmpKey][i]] newSelection[tmpKey][i] = data.info['LabelNames'].index(label) data.info['selection'] = newSelection data.info['selection']['cntlist'] = data.info['LabelNames'] selection = newSelection data.data = None return data if (key in ["XIA_DATA"]) and 'XIA' in selection: if selection["XIA"]: if 'Detectors' in data.info: for i in range(len(selection['rows']['y'])): selection['rows']['y'][i] = \ data.info['Detectors'].index(selection['rows']['y'][i]) + 1 del selection['XIA'] return data.select(selection) else: if data.data is not None: data.info['selectiontype'] = "%dD" % len(data.data.shape) if data.info['selectiontype'] == "2D": data.info["imageselection"] = True return data else: output.append(data.select(selection)) return output else: return None def __getSourceInfo(self): arraylist = [] sourcename = self.name for array in sps.getarraylist(sourcename): arrayinfo = sps.getarrayinfo(sourcename, array) arraytype = arrayinfo[2] arrayflag = arrayinfo[3] if arraytype != sps.STRING: if (arrayflag & sps.TAG_ARRAY) == sps.TAG_ARRAY: arraylist.append(array) continue if DEBUG: print("array not added %s" % array) source_info = {} source_info["Size"] = len(arraylist) source_info["KeyList"] = arraylist return source_info def __getArrayInfo(self, array): info = {} info["SourceType"] = SOURCE_TYPE info["SourceName"] = self.name info["Key"] = array arrayinfo = sps.getarrayinfo(self.name, array) info["rows"] = arrayinfo[0] info["cols"] = arrayinfo[1] info["type"] = arrayinfo[2] info["flag"] = arrayinfo[3] counter = sps.updatecounter(self.name, array) info["updatecounter"] = counter envdict = {} keylist = sps.getkeylist(self.name, array + "_ENV") for i in keylist: val = sps.getenv(self.name, array + "_ENV", i) envdict[i] = val info["envdict"] = envdict scantest = (info['flag'] & sps.TAG_SCAN) == sps.TAG_SCAN metadata = None if array in ["SCAN_D"]: # try to get new style SCAN_D metadata metadata = sps.getmetadata(self.name, array) if metadata is not None: motors, metadata = metadata #info["LabelNames"] = metadata["allcounters"].split(";") labels = list(motors.keys()) try: labels = [(int(x),x) for x in labels] except: print("SpsDataSource error reverting to old behavior") labels = [(x, x) for x in labels] labels.sort() if len(labels): info["LabelNames"] = [motors[x[1]] for x in labels] if len(metadata["allmotorm"]): info["MotorNames"] = metadata["allmotorm"].split(";") info["MotorValues"] = [float(x) \ for x in metadata["allpositions"].split(";")] info["nopts"] = int(metadata["npts"]) supplied_info = sps.getinfo(self.name, array) if len(supplied_info): info["nopts"] = int(supplied_info[0]) if 'hkl' in metadata: if len(metadata["hkl"]): info['hkl'] = [float(x) \ for x in metadata["hkl"].split(";")] # current SCAN info["scanno"] = int(metadata["scanno"]) # current SPEC file info["datafile"] = metadata["datafile"] # put any missing information info["selectedcounters"] = [x \ for x in metadata["selectedcounters"].split()] # do not confuse with unhandled keys ... #for key in metadata: # if key not in info: # info[key] = metadata[key] if (metadata is None) and ((array in ["SCAN_D"]) or scantest): # old style SCAN_D metadata if 'axistitles' in info["envdict"]: info["LabelNames"] = self._buildLabelsList(info['envdict']['axistitles']) if 'H' in info["envdict"]: if 'K' in info["envdict"]: if 'L' in info["envdict"]: info['hkl'] = [envdict['H'], envdict['K'], envdict['L']] calibarray = array + "_PARAM" if calibarray in sps.getarraylist(self.name): try: data = sps.getdata(self.name, calibarray) updc = sps.updatecounter(self.name, calibarray) info["EnvKey"] = calibarray # data is an array info["McaCalib"] = data.tolist()[0] info["env_updatecounter"] = updc except: # Some of our C modules return NULL without setting # an exception ... pass if array in ["XIA_DATA", "XIA_BASELINE"]: envarray = "XIA_DET" if envarray in sps.getarraylist(self.name): try: data = sps.getdata(self.name, envarray) updc = sps.updatecounter(self.name, envarray) info["EnvKey"] = envarray info["Detectors"] = data.tolist()[0] info["env_updatecounter"] = updc except: pass return info def _buildLabelsList(self, instr): if DEBUG: print('SpsDataSource : building counter list') state = 0 llist = [''] for letter in instr: if state == 0: if letter == ' ': state = 1 elif letter == '{': state = 2 else: llist[-1] = llist[-1] + letter elif state == 1: if letter == ' ': pass elif letter == '{': state = 2 llist.append('') else: llist.append(letter) state = 0 elif state == 2: if letter == '}': state = 0 else: llist[-1] = llist[-1] + letter try: llist.remove('') except ValueError: pass return llist def isUpdated(self, sourceName, key): if sps.specrunning(sourceName): if sps.isupdated(sourceName, key): return True #return True if its environment is updated envkey = key + "_ENV" if envkey in sps.getarraylist(sourceName): if sps.isupdated(sourceName, envkey): return True return False source_types = {SOURCE_TYPE: SpsDataSource} # TODO object is a builtins def DataSource(name="", object=None, copy=True, source_type=SOURCE_TYPE): try: sourceClass = source_types[source_type] except KeyError: # ERROR invalid source type raise TypeError("Invalid Source Type, source type should be one of %s" % source_types.keys()) return sourceClass(name, object, copy) def main(): import sys try: specname = sys.argv[1] arrayname = sys.argv[2] obj = DataSource(specname) data = obj.getData(arrayname) print("info = ", data.info) except: # give usage instructions print("Usage: SpsDataSource ") sys.exit() if __name__ == "__main__": main() PyMca5-5.2.2/PyMca5/PyMcaCore/EdfFileLayer.py0000644000276300001750000004544013136054446020525 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" """ EdfFileData.py Data derived class to access Edf files """ ################################################################################ #import fast_EdfFile as EdfFile from PyMca5.PyMcaIO import EdfFile ################################################################################ SOURCE_TYPE = "EdfFile" DEBUG = 0 class EdfFileLayer(object): """ Specializes Data class in order to access Edf files. Interface: Data class interface. """ def __init__(self,refresh_interval=None,info={},fastedf=None): """ See Data.__init__ """ info["Class"]="EdfFileData" #Data.__init__(self,refresh_interval,info) self.SourceName= None self.SourceInfo= None if fastedf is None:fastedf =0 self.fastedf = fastedf self.GetData = self.LoadSource def GetPageInfo(self,index={}): if 'SourceName' in index: self.SetSource(index['SourceName']) if 'Key' in index: info=self.GetData(index['Key']) return info[0] def AppendPage(self,info={}, array=None): return info,array def SetSource (self,source_name=None, source_obj = None): """ Sets a new source for data retrieving, an edf file. If the file exists, self.Source will be the EdfFile object associated to this file. Parameters: source_name: name of the edf file """ if source_name==self.SourceName: return 1 if (type(source_name) != type([])):source_name = [source_name] if (source_name is not None): if source_obj is not None: self.Source= source_obj else: if (type(source_name) == type([])): if DEBUG: print("List of files") self.Source=[] for name in source_name: try: self.Source.append(EdfFile.EdfFile(name,fastedf=self.fastedf)) except: #print("EdfFileLayer.SetSource: Error trying to read EDF file %s" % name) self.Source.append( None) else: try: self.Source = EdfFile.EdfFile(source_name, fastedf=self.fastedf) except: #print("EdfFileLayer.SetSource: Error trying to read EDF file") self.Source=None else: self.Source=None self.SourceInfo= None if self.Source is None: self.SourceName= None return 0 else: self.SourceName="" for name in source_name: if self.SourceName != "":self.SourceName+="|" self.SourceName+= name return 1 def GetPageArray(self,index=0): """ Returns page's data (NumPy array) Parameters: index: Either an integer meaning the sequencial position of the page or a dictionary that logically index the page based on keys of the page's Info dictionary. """ index=self.GetPageListIndex(index) if index is None or index >= len(self.Pages): return None return self.Pages[index].Array def GetPageListIndex(self,index): """ Converts a physical or logical index, into a physical one """ try: index = int(index) except: pass if type(index) is not type({}): return index for i in range(self.GetNumberPages()): found = 1 for key in index.keys(): if key not in self.Pages[i].Info.keys() or self.Pages[i].Info[key] != index[key]: found=0 break if found: return i return None def GetSourceInfo (self,key=None): """ Returns information about the EdfFile object created by SetSource, to give application possibility to know about it before loading. Returns a dictionary with the keys "Size" (number of possible keys to this source) and "KeyList" (list of all available keys in this source). Each element in "KeyList" is an integer meaning the index of the array in the file. """ if self.SourceName == None: return None if type(self.Source) == type([]): enumtype = 1 else: enumtype = 0 if not enumtype: if key is None: source_info={} if self.SourceInfo is None: NumImages=self.Source.GetNumImages() self.SourceInfo={} self.SourceInfo["Size"]=NumImages self.SourceInfo["KeyList"]=range(NumImages) source_info.update(self.SourceInfo) return source_info else: NumImages=self.Source.GetNumImages() source_info={} source_info["Size"]=NumImages source_info["KeyList"]=range(NumImages) return source_info else: if key is None: source_info={} self.SourceInfo={} self.SourceInfo["Size"] = 0 self.SourceInfo["KeyList"]= [] for source in self.Source: NumImages=source.GetNumImages() self.SourceInfo["Size"] += NumImages for imagenumber in range(NumImages): self.SourceInfo["KeyList"].append('%d.%d' % (self.Source.index(source)+1, imagenumber+1)) source_info.update(self.SourceInfo) return source_info else: try: index,image = key.split(".") index = int(index)-1 image = int(image)-1 except: print("Error trying to interpret key = %s" % key) return {} source = self.Source[index] NumImages=source.GetNumImages() source_info={} source_info["Size"]=NumImages source_info["KeyList"]=[] for imagenumber in range(NumImages): source_info.append('%d.%d' % (index+1,imagenumber+1)) return source_info def LoadSource(self,key_list="ALL",append=0,invalidate=1,pos=None,size=None): """ Creates a given number of pages, getting data from the actual source (set by SetSource) Parameters: key_list: list of all keys to be read from source. It is a list of keys, meaning the indexes to be read from the file. It can be also one integer, if only one array is to be read. append: If non-zero appends to the end of page list. Otherwise, initializes the page list invalidate: if non-zero performas an invalidade call after loading pos and size: (x), (x,y) or (x,y,z) tuples defining a roi If not defined, takes full array Stored in page's info """ #AS if append==0: Data.Delete(self) #numimages=self.Source.GetNumImages() sourceinfo = self.GetSourceInfo() numimages=sourceinfo['Size'] if key_list == "ALL": key_list=sourceinfo['KeyList'] elif type(key_list) != type([]): key_list=[key_list] #AS elif type(key_list) is types.IntType: key_list=[key_list] if pos is not None: edf_pos=list(pos) for i in range(len(edf_pos)): if edf_pos[i]=="ALL":edf_pos[i]=0 else: edf_pos=None if size is not None: edf_size=list(size) for i in range(len(edf_size)): if edf_size[i]=="ALL":edf_size[i]=0 else: edf_size=None output = [] for key0 in key_list: f = 1 sumrequested = 0 if type(key0) == type({}): if 'Key' in key0: key = key0['Key'] if type(key0) == type(''): if len(key0.split(".")) == 2: f,i = key0.split(".") f=int(f) i=int(i) if (i==0): if f == 0:sumrequested=1 else:i=1 key = "%d.%d" % (f,i) else: i=int(key0) if i < len(sourceinfo['KeyList']): key = sourceinfo['KeyList'][i] f,i = key.split(".") f=int(f) i=int(i) else: key = "%d.%d" % (f,i) else: i = key0 if i >= numimages: raise IndexError("EdfFileData: index out of bounds") imgcount =0 f=0 for source in self.Source: f+=1 n = source.GetNumImages() if i < (imgcount+n): i = i - imgcount break imgcount += n i+=1 key = "%d.%d" % (f,i) if key == "0.0":sumrequested=1 info={} info["SourceType"]=SOURCE_TYPE info["SourceName"]=self.SourceName info["Key"]=key info["Source"]=self.Source info["pos"]=pos info["size"]=size if not sumrequested: info.update(self.Source[f-1].GetStaticHeader(i-1)) info.update(self.Source[f-1].GetHeader(i-1)) if info["DataType"]=="UnsignedShort":array=self.Source[f-1].GetData(i-1,"SignedLong",Pos=edf_pos,Size=edf_size) elif info["DataType"]=="UnsignedLong":array=self.Source[f-1].GetData(i-1,"DoubleValue",Pos=edf_pos,Size=edf_size) else: array=self.Source[f-1].GetData(i-1,Pos=edf_pos,Size=edf_size) if 'Channel0' in info: info['Channel0'] = int(float(info['Channel0'])) elif 'MCA start ch' in info: info['Channel0'] = int(float(info['MCA start ch'])) else: info['Channel0'] = 0 if not ('McaCalib' in info): if 'MCA a' in info and 'MCA b' in info and 'MCA c' in info: info['McaCalib'] = [float(info['MCA a']), float(info['MCA b']), float(info['MCA c'])] else: # this is not correct, I assume info # is the same for all sources f=1 i=1 info.update(self.Source[f-1].GetStaticHeader(i-1)) info.update(self.Source[f-1].GetHeader(i-1)) if 'Channel0' in info: info['Channel0'] = int(float(info['Channel0'])) elif 'MCA start ch' in info: info['Channel0'] = int(float(info['MCA start ch'])) else: info['Channel0'] = 0 if not ('McaCalib' in info): if 'MCA a' in info and 'MCA b' in info and 'MCA c' in info: info['McaCalib'] = [float(info['MCA a']), float(info['MCA b']), float(info['MCA c'])] f=0 for source in self.Source: for i in range(source.GetNumImages()): if info["DataType"]=="UnsignedShort":array0=source.GetData(i,"SignedLong",Pos=edf_pos, Size=edf_size) elif info["DataType"]=="UnsignedLong":array0=source.GetData(i,"DoubleValue",Pos=edf_pos, Size=edf_size) else: array0=source.GetData(i,Pos=edf_pos,Size=edf_size) if (f==0) and (i==0): array = 1 * array0 else: array += array0 f+=1 if 'McaCalib' in info: if type(info['McaCalib']) == type(" "): info['McaCalib'] = info['McaCalib'].replace("[","") info['McaCalib'] = info['McaCalib'].replace("]","") cala, calb, calc = info['McaCalib'].split(",") info['McaCalib'] = [float(cala), float(calb), float(calc)] output.append([info,array]) #AS self.AppendPage(info,array) if len(output) == 1: return output[0] else: return output #AS if invalidate: self.Invalidate() def LoadSourceSingle(self,key_list="ALL",append=0,invalidate=1,pos=None,size=None): """ Creates a given number of pages, getting data from the actual source (set by SetSource) Parameters: key_list: list of all keys to be read from source. It is a list of keys, meaning the indexes to be read from the file. It can be also one integer, if only one array is to be read. append: If non-zero appends to the end of page list. Otherwise, initializes the page list invalidate: if non-zero performas an invalidade call after loading pos and size: (x), (x,y) or (x,y,z) tuples defining a roi If not defined, takes full array Stored in page's info """ #AS if append==0: Data.Delete(self) numimages=self.Source.GetNumImages() if key_list == "ALL": key_list=range(numimages) elif type(key_list) != type([]): key_list=[key_list] #AS elif type(key_list) is types.IntType: key_list=[key_list] if pos is not None: edf_pos=list(pos) for i in range(len(edf_pos)): if edf_pos[i]=="ALL":edf_pos[i]=0 else: edf_pos=None if size is not None: edf_size=list(size) for i in range(len(edf_size)): if edf_size[i]=="ALL":edf_size[i]=0 else: edf_size=None output = [] for key in key_list: if type(key) == type({}): if 'Key' in key: key = key['Key'] if type(key) == type(''): i=int(key) else: i = key if i >= numimages: raise IndexError("EdfFileData: index out of bounds") info={} info["SourceType"]=SOURCE_TYPE info["SourceName"]=self.SourceName info["Key"]=i info["Source"]=self.Source info["pos"]=pos info["size"]=size info.update(self.Source.GetStaticHeader(i)) info.update(self.Source.GetHeader(i)) if info["DataType"]=="UnsignedShort":array=self.Source.GetData(i,"SignedLong",Pos=edf_pos,Size=edf_size) elif info["DataType"]=="UnsignedLong":array=self.Source.GetData(i,"DoubleValue",Pos=edf_pos,Size=edf_size) else: array=self.Source.GetData(i,Pos=edf_pos,Size=edf_size) if 'MCA start ch' in info: info['Channel0'] = int(info['MCA start ch']) else: info['Channel0'] = 0 if not ('McaCalib' in info): if 'MCA a' in info and 'MCA b' in info and 'MCA c' in info: info['McaCalib'] = [float(info['MCA a']), float(info['MCA b']), float(info['MCA c'])] output.append([info,array]) #AS self.AppendPage(info,array) if len(output) == 1: return output[0] else: return output #AS if invalidate: self.Invalidate() ################################################################################ #EXAMPLE CODE: if __name__ == "__main__": import sys,time try: filename=sys.argv[1] key=sys.argv[2] fast = int(sys.argv[3]) obj=EdfFileLayer(fastedf=fast) if not obj.SetSource([filename]): print("ERROR: cannot open file %s" % filename) sys.exit() #obj.LoadSource(key) except: print("Usage: EdfFileData.py ") sys.exit() print(obj.GetSourceInfo()) for i in range(1): #this works obj.LoadSource("%d" % i) print("Full") e=time.time() info,data = obj.LoadSource(key) print("elapsed = ",time.time()-e) print("selection") e=time.time() info,data = obj.LoadSource(key,pos=(0,0),size=(90,0)) print("elapsed = ",time.time()-e) print(info) #print obj.GetPageInfo("%d" % i) #print obj.GetPageInfo(i) #print obj.GetPageInfo({'Key':i}) #print obj.GetPageArray(i) PyMca5-5.2.2/PyMca5/PyMcaCore/XiaCorrect.py0000644000276300001750000003400013136054446020263 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 E. Papillon, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "E. Papillon - ESRF Software group" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" from . import XiaEdf import sys import os import time __version__="$Revision: 1.11 $" def defaultErrorCB(message): print(message) def defaultLogCB(message, verbose_level=None, verbose_ask=None): if verbose_level is None: print(message) elif verbose_level <= verbose_ask: print(message) def defaultDoneCB(nbdone, total): pass def checkCB(log_cb=None, done_cb=None, error_cb=None): if log_cb is None: log_cb= defaultLogCB if done_cb is None: done_cb= defaultDoneCB if error_cb is None: error_cb= defaultErrorCB return (log_cb, done_cb, error_cb) def parseFiles(filelist, verbose=0, keep_sum=0, log_cb=None, done_cb=None, error_cb=None): (log_cb, done_cb, error_cb)= checkCB(log_cb, done_cb, error_cb) log_cb("Checking xia files ...") xiafiles= [] for file in filelist: xf= XiaEdf.XiaFilename(file) if xf.isValid(): log_cb(" - Parsing %s (OK - %s)"%(file, xf.getType()), 1, verbose) if not keep_sum: if not xf.isSum(): xiafiles.append(xf) else: xiafiles.append(xf) else: log_cb(" - Parsing %s (Not Xia)"%file, 1, verbose) if len(xiafiles): log_cb("Sorting xia files ...") xiafiles.sort() groupfiles= [] group= None for xf in xiafiles: if group is None: group= [ xf ] else: if xf.isGroupedWith(group[0]): group.append(xf) else: groupfiles.append(group) group= [ xf ] if group is not None: groupfiles.append(group) grouperrors= [] for group in groupfiles: if group[0].isScan(): if not group[-1].isStat(): stat= group[0].findStatFile() if stat is not None: log_cb(" - Find stat file for group <%s>"%stat.get(), 1, verbose) group.append(stat) else: error_cb("XiaCorrect ERROR: no stat file in current group <%s>"%group[0].get()) grouperrors.append(group) for group in grouperrors: groupfiles.remove(group) if not len(groupfiles): error_cb("XiaCorrect ERROR: No valid XIA group files") return None return groupfiles else: error_cb("XiaCorrect ERROR: No XIA files found.") return None def correctFiles(xiafiles, deadtime=1, livetime=0, sums=None, avgflag=0, outdir=None, outname="corr", force=0, \ verbose=0, log_cb=None, done_cb=None, error_cb=None): (log_cb, done_cb, error_cb)= checkCB(log_cb, done_cb, error_cb) processed= 0 saved= 0 total= 0 errors= 0 tps= time.time() done_cb(0, total) total= len(xiafiles) log_cb("Correcting xia files ...") for group in xiafiles: if not group[0].isScan(): file= group[0] name= file.get() log_cb("Working on %s"%name, 1, verbose) try: xia= XiaEdf.XiaEdfCountFile(name) file.setDirectory(outdir) file.appendPrefix(outname) name= file.get() if sums is not None: err= xia.sum(sums, deadtime, livetime, avgflag) file.setType("sum", -1) else: err= xia.correct(deadtime, livetime) if len(err): error_cb(" - WARNING: in %s"%name) for msg in err: error_cb(" * " + msg) log_cb(" - Saving %s"%name) xia.save(name, force) saved += 1 except XiaEdf.XiaEdfError: errors += 1 log_cb(sys.exc_info()[1]) else: groupfiles= [ file.get() for file in group ] name= groupfiles[-1] log_cb("Reading %s"%name, 1, verbose) try: xia= XiaEdf.XiaEdfScanFile(name, groupfiles[:-1]) except XiaEdf.XiaEdfError: xia= None errors += 1 error_cb(sys.exc_info()[1]) if xia is not None: for file in group: file.setDirectory(outdir) file.appendPrefix(outname) if sums is None: for file in group[:-1]: det= file.getDetector() if det is not None: log_cb("Working on detector #%02d"%det, 1, verbose) try: err= xia.correct(det, deadtime, livetime) name= file.get() if len(err): error_cb(" - WARNING: in %s"%name) for msg in err: error_cb(" * " + msg) log_cb(" - Saving %s"%name) xia.save(name, force) saved += 1 except XiaEdf.XiaEdfError: errors += 1 error_cb(sys.exc_info()[1]) else: log_cb("Working on group %s"%name, 1, verbose) file= group[-1] for isum in range(len(sums)): try: err= xia.sum(sums[isum], deadtime, livetime, avgflag) file.setType("sum", isum+1) name= file.get() if len(err): error_cb(" - WARNING: in %s"%name) for msg in err: error_cb(" * " + msg) log_cb(" - Saving %s"%name) xia.save(name, force) saved += 1 except XiaEdf.XiaEdfError: errors += 1 error_cb(sys.exc_info()[1]) processed += 1 done_cb(processed, total) done_cb(total, total) log_cb("\n* %d groups processed and %d files saved in %.2f sec"%(processed, saved, time.time()-tps)) if not errors: log_cb("* No errors found") else: log_cb("* %d errors found"%errors) log_cb("\n") def parseArguments(): import getopt, os.path prog= os.path.basename(sys.argv[0]) long = ["help", "input=", "output=", "force", "verbose", "deadtime", "livetime", "sum=", "avg", "name=", "parsing"] short= ["h", "i:", "o:", "f", "v", "d", "l", "s:", "a", "n:", "p"] try: opts, args= getopt.getopt(sys.argv[1:], " ".join(short), long) except getopt.error: print("XiaCorrect ERROR: Cannot parse command line arguments") print("\t%s" % sys.exc_info()[1]) sys.exit(0) parsing= 0 options= {"input": [], "files": [], "output": None, "force": 0, "name": "corr", "verbose": 0, "deadtime": 0, "livetime": 0, "sums": None, "avgflag": 0, "parsing": 0} for opt, arg in opts: if opt in ("-h", "--help"): printHelp() sys.exit(0) if opt in ("-i", "--input"): options["input"].append(os.path.normpath(arg)) if opt in ("-o", "--output"): options["output"]= os.path.normpath(arg) if opt in ("-f", "--force"): options["force"]= 1 if opt in ("-v", "--verbose"): options["verbose"]= 1 if opt in ("-d", "--deadtime"): options["deadtime"]= 1 if opt in ("-l", "--livetime"): options["livetime"]= 1 if opt in ("-n", "--name"): options["name"]= str(arg) if opt in ("-s", "--sum"): if options["sums"] is None: options["sums"]= [] try: ssum= [ int(det) for det in arg.split(",") ] if ssum[0]==-1: ssum= [] options["sums"].append(ssum) except: print("XiaCorrect ERROR: Cannot parse sum detectors") print("\t%s"%arg) sys.exit(0) if opt in ("-a", "--avg"): options["avgflag"]= 1 if opt in ("-p", "--parsing"): options["parsing"]= 1 for iinput in options["input"]: if not os.path.isdir(iinput): print("XiaCorrect WARNING: Input directory <%s> is not valid"%\ iinput) files= [ os.path.join(iinput, file) for file in os.listdir(iinput) ] if not len(files): print("XiaCorrect WARNING: Input directory <%s> is empty"%\ (iinput, prog)) else: options["files"]+= files if len(args): options["files"]+= args if not len(options["files"]): print("XiaCorrect ERROR: No input datafiles") sys.exit(0) if not options["parsing"]: if not options["deadtime"] and not options["livetime"] and options["sums"] is None: print("XiaCorrect ERROR: Must have at least deadtime, livetime or sum options") sys.exit(0) if options["output"] is not None: if not os.path.isdir(options["output"]): print("XiaCorrect ERROR: output directory is not valid") sys.exit(0) return options def printHelp(): prog= os.path.basename(sys.argv[0]) msg= """ %s [-h] [-v] [-f] [-d] [-l] [-a] [-s ] [-i ] [-o ] [] Options: [-h]/[--help] Print help message [-v]/[--verbose] Switch ON verbose mode [-f]/[--force] Force writing output files if they already exists [-d]/[--deadtime] Perform deadtime correction [-l]/[--livetime] Perform livetime normalization [-s]/[--sum] Sum given detectors. if detector list is set to (-1), all detectors are used: %s -s 2,4,8 --> will sum detectors 2,4 and 8 %s -s -1 --> will sum ALL detectors Several sums can be added: -s 2,4,6,7 -s 8,9,10,11 [-a]/[--avg] Sum(s) are averaged. Need <-s> to specify list of detectors: -s 2,3,4 -a --> will average detectors 2,3 and 4 [-i]/[--input] Specify input directory: all files in this directory which appears to be xia edf files are processed. Several [-i] options can be added: %s -d -i /tmp -i /data/opidXX [-o]/[--output] Specify output directories. If not specified, output files are saved in the same place as input file. [-n]/[--name] String to be appended to prefix for output filename. Default is \"corr\". [] Specify one or several input files. Wildcards can be used: %s -l file1.edf file2.edf /tmp/test*.edf Minimum options to work: [-l] , [-d] or [-s] [-i input] or """%(prog, prog, prog, prog, prog) print(msg) def mainCommandLine(): options= parseArguments() files= parseFiles(options["files"], options["verbose"]) if files is not None: if options["parsing"]: for group in files: print("FileGroup:") for file in group: print(" - ", file.get()) else: correctFiles(files, options["deadtime"], options["livetime"], options["sums"], options["avgflag"], \ options["output"], options["name"], options["force"], options["verbose"]) def mainGUI(app=None): from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaGui.pymca import XiaCorrectWizard if app is None: app= qt.QApplication(sys.argv) wid= XiaCorrectWizard.XiaCorrectWizard() ret= wid.exec_() if ret==qt.QDialog.Accepted: options= wid.get() files= parseFiles(options["files"], options["verbose"]) if files is not None: correctFiles(files, options["deadtime"], options["livetime"], options["sums"], options["avgflag"], \ options["output"], options["name"], options["force"], options["verbose"]) if __name__=="__main__": import sys if len(sys.argv)==1: mainGUI() else: mainCommandLine() PyMca5-5.2.2/PyMca5/PyMcaCore/SpecFileDataSource.py0000644000276300001750000010250313137667364021703 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2017 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os import numpy import types from . import DataObject from PyMca5.PyMcaIO import specfilewrapper as specfile SOURCE_TYPE = "SpecFile" DEBUG = 0 # Scan types # ---------- SF_EMPTY = 0 # empty scan SF_SCAN = 1 # non-empty scan SF_MESH = 2 # mesh scan SF_MCA = 4 # single mca SF_NMCA = 8 # multi mca (more than 1 mca per acq) SF_UMCA = 16 # mca number does not match pts number class SpecFileDataSource(object): Error= "SpecFileDataError" def __init__(self, nameInput): if type(nameInput) == type([]): nameList = nameInput else: nameList = [nameInput] if len(nameList) > 1: #who knows if one day will make selections thru several files... raise TypeError("Constructor needs string as first argument") if sys.version < '3.0': testTypes = [types.StringType, types.UnicodeType] else: testTypes = [type("")] for name in nameList: if type(name) not in testTypes: raise TypeError("Constructor needs string as first argument") self.sourceName = nameInput self.sourceType = SOURCE_TYPE self.__sourceNameList = nameList self.__source_info_cached = None self.refresh() def refresh(self): self._sourceObjectList=[] self.__fileHeaderList = [] for name in self.__sourceNameList: if not os.path.exists(name): raise ValueError("File %s does not exists" % name) for name in self.__sourceNameList: self._sourceObjectList.append(specfile.Specfile(name)) self.__fileHeaderList.append(False) self.__lastKeyInfo = {} def getSourceInfo(self): """ Returns information about the specfile object created by the constructor to give application possibility to know about it before loading. Returns a dictionary with the key "KeyList" (list of all available keys in this source). Each element in "KeyList" has the form 'n1.n2' where n1 is the scan number and n2 the order number in file starting at 1. """ return self.__getSourceInfo() def __getSourceInfo(self): scanlist=self.__getScanList() source_info={} source_info["Size"] = len(scanlist) source_info["KeyList"] = scanlist source_info["SourceType"] = SOURCE_TYPE num_mca=[] num_pts=[] commands=[] sf_type=[] for i in scanlist: sel=self._sourceObjectList[0].select(i) if self.__fileHeaderList[0] == False: try: self.__fileHeaderList[0] = sel.fileheader('') except: if DEBUG: print("getSourceInfo %s" % sys.exc_info()[1]) self.__fileHeaderList[0] = None try: n = sel.nbmca() except: n = 0 num_mca.append(n) try: n = sel.lines() except: n= 0 num_pts.append(n) try: n = sel.command() except: n= "" commands.append(n) source_info["FileHeader"] = self.__fileHeaderList[0] source_info["NumMca"] = num_mca source_info["NumPts"] = num_pts source_info["Commands"] = commands source_info["ScanType"] = map(self.__getScanType, num_pts, num_mca, commands) self.__source_info_cached = source_info return source_info def __getScanList(self): aux= self._sourceObjectList[0].list().split(",") newlistcount=[] newlist=[] for i in aux: if not (":" in i): start_index=end_index=int(i) else: s= i.split(":") start_index=int(s[0]) end_index=int(s[1]) for j in range(start_index,end_index+1): newlist.append(j) newlistcount.append(newlist.count(j)) for i in range(len(newlist)): newlist[i]="%d.%d" % (newlist[i],newlistcount[i]) return newlist def __getScanType(self, num_pts, num_mca, command): stype= SF_EMPTY if num_pts>0: if command is None: stype= SF_SCAN elif "mesh" in command: stype= SF_MESH else: stype= SF_SCAN if num_mca%num_pts: stype+= SF_UMCA elif num_mca==num_pts: stype+= SF_MCA elif num_mca>0: stype+= SF_NMCA else: if num_mca==1: stype= SF_MCA elif num_mca>1: stype= SF_NMCA return stype def getKeyInfo (self, key): """ If key given returns information of a perticular key. """ fileName = self.__sourceNameList[0] key_type= self.__getKeyType(key) if key_type=="scan": scan_key= key elif key_type=="mca": (scan_key, mca_no)=self.__getMcaPars(key) self.__lastKeyInfo[key] = os.path.getmtime(fileName) return self.__getScanInfo(scan_key) def __getKeyType (self,key): count= key.count('.') if (count==1): return "scan" elif (count==2) or (count==3): return "mca" else: raise KeyError("SpecFileDataSource: Invalid key") def __getScanInfo(self, scankey): index = 0 sourceObject = self._sourceObjectList[index] scandata= sourceObject.select(scankey) info={} info["SourceType"] = SOURCE_TYPE #doubts about if refer to the list or to the individual file info["SourceName"] = self.sourceName info["Key"] = scankey info['FileName'] = self.__sourceNameList[index] if self.__fileHeaderList[index] == False: try: self.__fileHeaderList[index] = scandata.fileheader('') except: if DEBUG: print("getScanInfo %s" % sys.exc_info()[1]) self.__fileHeaderList[index] = None info["FileHeader"] = self.__fileHeaderList[index] try: info["Number"] = scandata.number() except: info["Number"] = None try: info["Order"] = scandata.order() except: info["Order"] = None try: info["Cols"] = scandata.cols() except: info["Cols"] = 0 try: info["Lines"] = scandata.lines() except: info["Lines"] = 0 try: info["Date"] = scandata.date() except: info["Date"] = None if hasattr(scandata, "allmotors"): try: info["MotorNames"] = scandata.allmotors() except: info["MotorNames"] = None else: try: info["MotorNames"] = sourceObject.allmotors() except: info["MotorNames"] = None try: info["MotorValues"] = scandata.allmotorpos() except: info["MotorValues"] = None try: info["LabelNames"] = scandata.alllabels() except: info["LabelNames"] = [] try: info["Command"] = scandata.command() except: info["Command"] = None try: info["Header"] = scandata.header("") except: info["Header"] = None try: info["NbMca"] = scandata.nbmca() except: info["NbMca"] = 0 try: info["hkl"] = scandata.hkl() except: info["hkl"] = None if info["NbMca"]: if info["Lines"] > 0 and info["NbMca"] % info["Lines"] == 0: info["NbMcaDet"]= info["NbMca"] // info["Lines"] else: info["NbMcaDet"]= info["NbMca"] info["ScanType"]= self.__getScanType(info["Lines"], info["NbMca"], info["Command"]) return info def __getMcaInfo(self, mcano, scandata, info=None): if info is None: info = {} mcainfo= {} if "NbMcaDet" in info: det= info["NbMcaDet"] if info["Lines"]>0: mcainfo["McaPoint"]= int(mcano/info["NbMcaDet"])+(mcano%info["NbMcaDet"]>0) mcainfo["McaDet"]= mcano-((mcainfo["McaPoint"]-1)*info["NbMcaDet"]) try: mcainfo["LabelValues"]= scandata.dataline(mcainfo["McaPoint"]) except: mcainfo["LabelValues"]= None else: mcainfo["McaPoint"]= 0 mcainfo["McaDet"]= mcano mcainfo["LabelValues"]= None calib= scandata.header("@CALIB") mcainfo["McaCalib"]=[0.0,1.0,0.0] if len(calib): if len(calib) == info["NbMcaDet"]: calib = [calib[mcainfo["McaDet"]-1]] else: if DEBUG: print("Warning","Number of calibrations does not match number of MCAs") if len(calib) == 1: pass else: raise ValueError("Number of calibrations does not match number of MCAs") ctxt= calib[0].split() if len(ctxt)==4: #try: if 1: cval= [ float(ctxt[1]), float(ctxt[2]), float(ctxt[3]) ] mcainfo["McaCalib"]= cval else: #except: mcainfo["McaCalib"]=[0.0,1.0,0.0] ctime= scandata.header("@CTIME") if len(ctime): if len(ctime) == info["NbMcaDet"]: ctime = [ctime[mcainfo["McaDet"]-1]] else: if DEBUG: print("Warning","Number of counting times does not match number of MCAs") if len(ctime) == 1: pass else: raise ValueError("Number of counting times does not match number of MCAs") ctxt= ctime[0].split() if len(ctxt)==4: try: mcainfo["McaPresetTime"]= float(ctxt[1]) mcainfo["McaLiveTime"]= float(ctxt[2]) mcainfo["McaRealTime"]= float(ctxt[3]) except: pass chann = scandata.header("@CHANN") if len(chann): if len(chann) == info["NbMcaDet"]: chann = [chann[mcainfo["McaDet"] - 1]] else: if DEBUG: print("Warning","Number of @CHANN information does not match number of MCAs") if len(chann) == 1: pass else: raise ValueError("Number of @CHANN information does not match number of MCAs") ctxt= chann[0].split() if len(ctxt)==5: mcainfo['Channel0'] = float(ctxt[2]) else: mcainfo['Channel0'] = 0.0 else: mcainfo['Channel0'] = 0.0 return mcainfo def __getMcaPars(self,key): index = 0 nums= key.split('.') size = len(nums) sel_key = nums[0] + "." + nums[1] if size==3: mca_no=int(nums[2]) elif size==4: sel=self._sourceObjectList[index].select(sel_key) try: lines = sel.lines() except: lines=0 if nums[3]==0: mca_no=int(nums[2]) else: mca_no=((int(nums[3])-1)*lines)+int(nums[2]) else: raise KeyError("SpecFileData: Invalid key") return (sel_key,mca_no) def getDataObject(self,key,selection=None): """ Parameters: * key: key to be read from source. It is a string using the following formats: "s.o": loads all counter values (s=scan number, o=order) - if ScanType==SCAN: in a 2D array (mot*cnts) - if ScanType==MESH: in a 3D array (mot1*mot2*cnts) - if ScanType==MCA: single MCA in 1D array (0:channels) "s.o.n": loads a single MCA in a 1D array (0:channels) - if ScanType==NMCA: n is the MCA number from 1 to N - if ScanType==SCAN+MCA: n is the scan point number (from 1) - if ScanType==MESH+MCA: n is the scan point number (from 1) "s.o.p.n": loads a single MCA in a 1D array (0:channels) - if ScanType==SCAN+NMCA: p is the point number in the scan n is the MCA device number - if ScanType==MESH+MCA: p is first motor index n is second motor index "s.o.MCA": loads all MCA in an array - if ScanType==SCAN+MCA: 2D array (pts*mca) - if ScanType==NMCA: 2D array (mca_det*mca) - if ScanType==MESH+MCA: 3D array (pts_mot1*pts_mot2*mca) - if ScanType==SCAN+NMCA: 3D array (pts_mot1*mca_det*mca) - if ScanType==MESH+NMCA: creates N data page, one for each MCA device, with a 3D array (pts_mot1*pts_mot2*mca) """ key_type= self.__getKeyType(key) if key_type=="scan": scan_key= key elif key_type=="mca": (scan_key, mca_no)=self.__getMcaPars(key) if self.__source_info_cached is None: sourceinfo = self.getSourceInfo() sourcekeys = sourceinfo['KeyList'] else: sourceinfo = self.__source_info_cached sourcekeys = sourceinfo['KeyList'] if scan_key not in sourcekeys: sourceinfo = self.getSourceInfo() sourcekeys = sourceinfo['KeyList'] if scan_key not in sourcekeys: raise KeyError("Key %s not in source keys" % key) mca3D = False if DEBUG: print("SELECTION = ", selection) print("key_type = ", key_type) if key_type == "scan": if selection is not None: if 'mcalist' in selection: mca3D = True if (key_type=="scan") and (not mca3D): output = self._getScanData(key, raw = True) output.x = None output.y = None output.m = None output.info['selection'] = selection if selection is None: output.info['selectiontype'] = "2D" return output elif type(selection) != type({}): #I only understand index selections raise TypeError("Only selections of type {x:[],y:[],m:[]} understood") else: if 'x' in selection: indexlist = [] for labelindex in selection['x']: if labelindex != 0: if 'cntlist' in selection: label = selection['cntlist'][labelindex] else: label = output.info['LabelNames'][labelindex] else: label = output.info['LabelNames'][labelindex] if label not in output.info['LabelNames']: raise ValueError("Label %s not in scan labels" % label) index = output.info['LabelNames'].index(label) if output.x is None: output.x = [] output.x.append(output.data[:, index]) indexlist.append(index) output.info['selection']['x'] = indexlist if 'y' in selection: indexlist = [] for labelindex in selection['y']: if 'cntlist' in selection: label = selection['cntlist'][labelindex] else: label = output.info['LabelNames'][labelindex] if label not in output.info['LabelNames']: raise ValueError("Label %s not in scan labels" % label) index = output.info['LabelNames'].index(label) if output.y is None: output.y = [] output.y.append(output.data[:, index]) indexlist.append(index) output.info['selection']['y'] = indexlist if 'm' in selection: indexlist = [] for labelindex in selection['m']: if 'cntlist' in selection: label = selection['cntlist'][labelindex] else: label = output.info['LabelNames'][labelindex] if label not in output.info['LabelNames']: raise ValueError("Label %s not in scan labels" % label) index = output.info['LabelNames'].index(label) if output.m is None: output.m = [] output.m.append(output.data[:, index]) indexlist.append(index) output.info['selection']['m'] = indexlist output.info['selection']['cntlist'] = output.info['LabelNames'] output.info['selectiontype'] = "1D" if output.x is not None: output.info['selectiontype'] = "%dD" % len(output.x) output.data = None elif key_type=="mca": output = self._getMcaData(key) selectiontype = "1D" if selection is not None: selectiontype = selection.get('selectiontype', "1D") output.info['selectiontype'] = selectiontype if output.info['selectiontype'] not in ['2D', '3D', 'STACK']: ch0 = int(output.info['Channel0']) output.x = [numpy.arange(ch0, ch0 + len(output.data)).astype(numpy.float)] output.y = [output.data[:].astype(numpy.float)] output.m = None output.data = None else: output.x = None output.y = None output.m = None output.data = None npoints = output.info['NbMca']/output.info['NbMcaDet'] index = 0 scan_obj = self._sourceObjectList[index].select(scan_key) SPECFILE = True if isinstance(self._sourceObjectList[index], specfile.specfilewrapper): SPECFILE = False for i in range(npoints): if SPECFILE: wmca_no= mca_no + output.info['NbMcaDet'] * i mcaData= scan_obj.mca(wmca_no) else: mca_key = '%s.%d' % (scan_key, mca_no) mcaData = self._getMcaData(mca_key).data if i == 0: nChannels = mcaData.shape[0] output.data = numpy.zeros((npoints, nChannels), numpy.float32) output.data[i,:] = mcaData #I have all the MCA data ready for image plot if selectiontype == 'STACK': output.data.shape = 1, npoints, -1 shape = output.data.shape for i in range(len(shape)): key = 'Dim_%d' % (i+1,) output.info[key] = shape[i] output.info["SourceType"] = "SpecFileStack" output.info["SourceName"] = self.sourceName output.info["Size"] = shape[0] * shape[1] output.info["NumberOfFiles"] = 1 output.info["FileIndex"] = 1 elif (key_type=="scan") and mca3D: output = self._getScanData(key, raw = True) output.x = None output.y = None output.m = None #get the number of counters in the scan if 'cntlist' in selection: ncounters = len(selection['cntlist']) else: ncounters = output.info['LabelNames'] # For the time being assume only one mca can be selected detectorNumber = selection['y'][0] - ncounters #read the first mca data of the first point mca_key = '%s.%d.%d' % (key, 1+detectorNumber, 1) mcaData = self._getMcaData(mca_key) ch0 = int(mcaData.info['Channel0']) calib = mcaData.info['McaCalib'] nChannels = float(mcaData.data.shape[0]) channels = numpy.arange(nChannels) + ch0 #apply the calibration channels = calib[0] + calib[1] * channels +\ calib[2] * channels * channels ones =numpy.ones(nChannels) #get the different x components xselection = selection.get('x', []) if len(xselection) != 2: raise ValueError("You have to select two X axes") indexlist = [] for labelindex in xselection: if labelindex != 0: if 'cntlist' in selection: label = selection['cntlist'][labelindex] else: label = output.info['LabelNames'][labelindex] else: label = output.info['LabelNames'][labelindex] if label not in output.info['LabelNames']: raise ValueError("Label %s not in scan labels" % label) index = output.info['LabelNames'].index(label) if output.x is None: output.x = [] output.x.append(output.data[:, index]) indexlist.append(index) npoints = output.x[0].shape[0] output.info['selection'] = selection output.info['selection']['x'] = indexlist for i in range(len(output.x)): output.x[i] = numpy.outer(output.x[i], ones).flatten() tmp = numpy.outer(channels, numpy.ones(float(npoints))).flatten() output.x.append(tmp) output.y = [numpy.zeros(nChannels * npoints,numpy.float)] for i in range(npoints): mca_key = '%s.%d.%d' % (key, 1+detectorNumber, 1) mcaData = self._getMcaData(mca_key) output.y[0][(i*nChannels):((i+1)*nChannels)] = mcaData.data[:] if 'm' in selection: indexlist = [] for labelindex in selection['m']: if 'cntlist' in selection: label = selection['cntlist'][labelindex] else: label = output.info['LabelNames'][labelindex] if label not in output.info['LabelNames']: raise ValueError("Label %s not in scan labels" % label) index = output.info['LabelNames'].index(label) if output.m is None: output.m = [] output.m.append(output.data[:, index]) indexlist.append(index) output.info['selection']['m'] = indexlist if output.m is not None: output.m[0] = numpy.outer(output.m[0], ones).flatten() output.info['selection']['cntlist'] = output.info['LabelNames'] output.info['selectiontype'] = "3D" output.info['LabelNames'] = selection['cntlist'] + selection['mcalist'] output.data = None return output def _getScanData(self, scan_key, raw=False): index = 0 scan_obj = self._sourceObjectList[index].select(scan_key) scan_info= self.__getScanInfo(scan_key) scan_info["Key"] = scan_key scan_info["FileInfo"] = self.__getFileInfo() scan_type = scan_info["ScanType"] scan_data = None if scan_type&SF_SCAN: try: scan_data= numpy.transpose(scan_obj.data()).copy() except: raise IOError("SF_SCAN read failed") elif scan_type&SF_MESH: try: if raw: try: scan_data= numpy.transpose(scan_obj.data()).copy() except: raise IOError("SF_MESH read failed") else: scan_array = scan_obj.data() (mot1,mot2,cnts) = self.__getMeshSize(scan_array) scan_data = numpy.zeros((mot1,mot2,cnts), numpy.float) for idx in range(mot2): scan_data[:,idx,:] = numpy.transpose(scan_array[:,idx*mot1:(idx+1)*mot1]).copy() scan_data = numpy.transpose(scan_data).copy() except: raise IOError("SF_MESH read failed") elif scan_type&SF_MCA: try: scan_data = scan_obj.mca(1) except: raise IOError("SF_MCA read failed") elif scan_type&SF_NMCA: try: scan_data = scan_obj.mca(1) except: raise IOError("SF_NMCA read failed") if scan_data is not None: #create data object dataObject = DataObject.DataObject() #data.info = self.__getKeyInfo(key) dataObject.info = scan_info dataObject.data = scan_data return dataObject else: raise TypeError("getData unknown type") def _getMcaData(self, key): index = 0 key_split= key.split(".") scan_key= key_split[0]+"."+key_split[1] scan_info = {} scan_info["Key"]= key scan_info["FileInfo"] = self.__getFileInfo() scan_obj = self._sourceObjectList[index].select(scan_key) scan_info.update(self.__getScanInfo(scan_key)) scan_type= scan_info["ScanType"] scan_data= None mca_range= [] # for each dim., (name, length, values or None) if len(key_split)==3: if scan_type&SF_NMCA or scan_type&SF_MCA: try: mca_no= int(key_split[2]) scan_data= scan_obj.mca(mca_no) except: raise IOError("Single MCA read failed") if scan_data is not None: scan_info.update(self.__getMcaInfo(mca_no, scan_obj, scan_info)) dataObject = DataObject.DataObject() dataObject.info = scan_info dataObject.data = scan_data return dataObject elif len(key_split) == 4: if scan_type == SF_SCAN + SF_NMCA: try: mca_no = (int(key_split[2])-1) * scan_info["NbMcaDet"] + \ int(key_split[3]) scan_data = scan_obj.mca(mca_no) except: raise IOError("SF_SCAN+SF_NMCA read failed") elif scan_type == SF_MESH + SF_MCA: try: #scan_array= scan_obj.data() #(mot1,mot2,cnts)= self.__getMeshSize(scan_array) #mca_no= 1 + int(key_split[2]) + int(key_split[3])*mot1 mca_no = (int(key_split[2])-1) * scan_info["NbMcaDet"] + \ int(key_split[3]) if DEBUG: print("try to read mca number = ",mca_no) print("total number of mca = ",scan_info["NbMca"]) scan_data = scan_obj.mca(mca_no) except: raise IOError("SF_MESH+SF_MCA read failed") elif scan_type & SF_NMCA or scan_type & SF_MCA: try: mca_no = (int(key_split[2])-1) * scan_info["NbMcaDet"] + \ int(key_split[3]) scan_data = scan_obj.mca(mca_no) except: raise IOError("SF_MCA or SF_NMCA read failed") else: raise TypeError("Unknown scan type!!!!!!!!!!!!!!!!") if scan_data is not None: scan_info.update(self.__getMcaInfo(mca_no, scan_obj, scan_info)) dataObject = DataObject.DataObject() dataObject.info = scan_info dataObject.data = scan_data return dataObject def __getFileInfo(self): index = 0 source = self._sourceObjectList[index] file_info={} try: file_info["Title"] = source.title() except: file_info["Title"] = None try: file_info["User"] = source.user() except: file_info["User"] = None try: file_info["Date"] = source.date() except: file_info["Date"] = None try: file_info["Epoch"] = source.epoch() except: file_info["Epoch"] = None try: file_info["ScanNo"] = source.scanno() except: file_info["ScanNo"] = None return file_info def __getMeshSize(self, scan_array): """ Given the scandata array, return the size tuple of the mesh """ mot2_array = scan_array[1] mot2_max = mot2_array.shape[0] mot1_idx = 1 while mot1_idx < mot2_max and mot2_array[mot1_idx] == mot2_array[0]: mot1_idx+=1 mot2_idx = scan_array.shape[1] // mot1_idx cnts_idx = scan_array.shape[0] return (mot1_idx, mot2_idx, cnts_idx) def __getScanMotorRange(self, info, obj): name = info["LabelNames"][0] values = obj.datacol(1) length = values.shape[0] return (name, values, length) def __getMeshMotorRange(self, info, obj): return () def isUpdated(self, sourceName, key): #sourceName is redundant? index = 0 lastmodified = os.path.getmtime(self.__sourceNameList[index]) if key not in self.__lastKeyInfo.keys(): #nothing has been read??? self.__lastKeyInfo[key] = lastmodified return False if lastmodified != self.__lastKeyInfo[key]: self.__lastKeyInfo[key] = lastmodified return True else: return False source_types = { SOURCE_TYPE: SpecFileDataSource} def DataSource(name="", source_type=SOURCE_TYPE): try: sourceClass = source_types[source_type] except KeyError: #ERROR invalid source type raise TypeError("Invalid Source Type, source type should be one of %s" % source_types.keys()) return sourceClass(name) if __name__ == "__main__": import time if len(sys.argv) not in [2,3,4]: print("Usage: %s []") sys.exit() filename= sys.argv[1] sf = SpecFileDataSource(filename) sf = DataSource(filename) if len(sys.argv)==2: info= sf.getSourceInfo() print("Filename :", sf.sourceName) print("Number of scans :", info["Size"]) print("S# - command - pts - mca - type") for (s,c,p,m,t) in zip(info["KeyList"],info["Commands"],info["NumPts"],info["NumMca"],info["ScanType"]): print(s,"-",c,"-",p,"-",m,"-",t) print("KeyList = ",info["KeyList"]) #print info['Channel0'] if len(sys.argv)==3: t0 = time.time() dataObject = sf.getDataObject(sys.argv[2]) t0 = time.time() - t0 info= dataObject.info data= dataObject.data print("Filename :", info['SourceName']) print("Loaded key :", info["Key"]) print("Header :") for i,v in info.items(): print("-", i, ":", v) print("Data Shape :", data.shape) print("read time = ",t0) if len(sys.argv)==4: t0 = time.time() label = sys.argv[3] dataObject = sf.getDataObject(sys.argv[2], selection={'x':[label], 'y':[label], 'm':[label]}) t0 = time.time() - t0 info= dataObject.info #print dataObject.x print(dataObject.y) #print dataObject.x PyMca5-5.2.2/PyMca5/PyMcaCore/EventHandler.py0000644000276300001750000002360113136054446020604 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" """ This module implements an event handler class. This a communication system between objects based on a pattern observer / producer. The producer generates events, and the observer are listening to events. The event handler is designed to manage this communication. The communication is completely synchronous. (This is differnet to the X mainloop where callbacks are not interrupted.) The events have a hierarchy which is specified by a fullname just like other python classes (i.e The callback of the NewDataEvent.XNewDataEvent event is called when its parent the NewDataEvent is fired and also when the XNewDataEvent is fired). The pattern should be the following: Class1 sends events. It will be responsible to create them in the beginning with: myevent = eh.create("myevent") and later send the event with eh.event (myevent, arg1, arg2, ...) Class2 receives events. It will be responsible to register its interest in the events and specify the methods to be called The Main program should create the eventhandler eh = Eventhandler() and pass it to the constructor of the classes Class1(eh=eh) Class2(eh=eh) Some conventions: * All the registered events should have public documented methods as alternatives. The classes should not rely on the fact that an eventhandler is passed * The eventhandler argument should be a keyword called eh and defaults to None and should not be necessary. You should forsee that the functionality can be used via std callbacks (i.e in the constructor selectcb=select), overriding std methods (i.e. select() or simple methods in your class to set a callback or provide the information directly (i.e SetSelectCB(), GetSelection) Events: Classes derived from the Event class Full event names: A string with the event name fully specified (i.e. a.b.c) """ __version__ = '0.1Beta' class Event(object): pass class OneEvent(object): def __init__(self, parent = None, event = None): self.parent = parent self.event = event self.callbacks = [] self.creator = None self.created = 0 class EventHandler(object): def __init__(self): self.callbacks = {} self.fulldict = {} self.rootevent = OneEvent(event = Event) self.events = {} def _create(self, fulleventstr, myid = None): try: return self.fulldict[fulleventstr] except KeyError: try: idx = fulleventstr.rindex(".") + 1 parentstr = fulleventstr[:idx-1] parent = self._create(parentstr) except ValueError: parent = self.rootevent idx = 0 #event = new.classobj(fulleventstr[idx:], (parent.event,), globals()) event = type(fulleventstr[idx:], (parent.event,), globals()) self.fulldict[fulleventstr] = OneEvent(event = event, parent = parent) return self.fulldict[fulleventstr] def create(self, fulleventstr, myid = None): """ Create the event. This call will take a full classname a.b.c and create the event calls and all the parent classes if necessary. It returns the eventclassobject which can be used to fire the event later. It is no error to create the class after registering for it, but it is an error to fire an event before creating it. Normally the event producer is responsible for creating it """ oe = self._create(fulleventstr, myid = myid) oe.creator = myid oe.created = 1 self.preparefastevents() return oe.event def register(self, fulleventstr, callback, myid = None, source = None): """ Register the event a.b.c with callback . You have to specify the full name of the event class as it might be created during this call. A later create call with the same event will just confirm this creation. You can specify an id for yourself and an id for the source you would like to listen to. The source restrictions are not yet implemented because of performance considerations. """ oe = self._create(fulleventstr) oe.callbacks.append((callback, myid, source)) self.preparefastevents() return oe.event def unregister(self, fulleventstr, callback, myid = None): """ Unregister the callback from the eventclass a.b.c. The id has to be specified if it has been specified on registering the callback """ try: oe = self.fulldict[fulleventstr] for cb, regid, source in oe.callbacks: if cb == callback and regid == myid: oe.callbacks.remove((cb, myid, source)) except KeyError: # there is no such event pass self.preparefastevents() def dumptostr(self, fullname, cbflag = 1): s = "%s: " % fullname try: oe = self.fulldict[fullname] except KeyError: return s + "undefined\n" if oe.created == 0: creator = "" elif oe.creator is None: creator = "creator not specified" else: creator = "created by " + oe.creator s = s + "(%s)\n" % creator if cbflag: for cb, regid, source in oe.callbacks: try: cbname = cb.__name__ except AttributeError: cbname = "%s" % cb s = s + " %s" % cbname if regid: s = s + " (reg by: %s)" % str(regid) if source: s = s + " (only: %s)" % str(source) s = s + "\n" return s def dumpalltostr(self): s = "" for fullname in self.fulldict.keys(): s = s + self.dumptostr(fullname) return s def preparefastevents(self): """ calculate the callback functions for all possible events """ self.events = {} self.callbacks = {} for fullev, oe in self.fulldict.items(): events = fullev.split(".") self.events[events[-1]] = oe.event # only for our callers cbs = [x[0] for x in self.fulldict[fullev].callbacks] for i in range(len(events)): evname = ".".join(events[:i+1]) ev = self.fulldict[evname].event try: self.callbacks[ev] = self.callbacks[ev] + cbs except: self.callbacks[ev] = cbs def event(self, event, *args, **kw): """ Fire the event with arguments and keywords """ if event in self.callbacks.keys(): for cb in self.callbacks[event]: cb(*args, **kw) else: print("Warning: missing event ",event) def getfullevents(self): """ return a list with fully specified event names (a.b.c) """ return self.fulldict.keys() def getevents(self): """ return a list with name item tuples. """ evdict = {} for fullev in self.fulldict.keys(): events = fullev.split(".") dict = evdict for i in range(len(events)): evname = events[i] if not (evname in dict): dict[evname] = {} dict = dict[evname] return self._dict2tup(evdict) def _dict2tup(self, dict): li = [] for key, item in dict.items(): if item == {}: li.append((key, 0)) else: li.append((key, self._dict2tup(item))) return li def test(eh = None): """EventHandler class test function""" def callback1(data, more=None): print('Hi callback 1 (Data) with data : %s and %s' % (data, more)) def callback2(data, more=None): print('Hi callback 2 (XData) with data : %s and %s' % (data, more)) def callback3(data, more=None): print('Hi callback 3 (Ydata) with data : %s and %s' % (data, more)) if eh is None: eh = EventHandler() NewDataEvent = eh.create("NewDataEvent") XNewDataEvent = eh.create("NewDataEvent.XNewDataEvent") YNewDataEvent = eh.create("NewDataEvent.YNewDataEvent") eh.register("NewDataEvent", callback1) eh.register("NewDataEvent.XNewDataEvent" , callback2) eh.register("NewDataEvent.YNewDataEvent" , callback3) print("%s" % eh.getevents()) eh.event(XNewDataEvent, "this is data for 2") eh.event(NewDataEvent, "this is data for 1,2,3", more=[1,2,3]) eh.event(eh.events["YNewDataEvent"], "more for 3") try: eh.event("XNewDataEvent", "this is data again") except KeyError: print("Error: String as Event has been detected sucessfully") eh.unregister("NewDataEvent", callback1) eh.event(NewDataEvent, "this is data again again") if __name__ == '__main__': test() PyMca5-5.2.2/PyMca5/PyMcaCore/PyMcaLogo.py0000644000276300001750000001327513136054446020065 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. 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IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os import numpy import h5py from operator import itemgetter import re import posixpath phynx = h5py if sys.version > '2.9': basestring = str from . import DataObject SOURCE_TYPE = "HDF5" DEBUG = 0 #sorting method def h5py_sorting(object_list): sorting_list = ['start_time', 'end_time', 'name'] n = len(object_list) if n < 2: return object_list # This implementation only sorts entries if posixpath.dirname(object_list[0].name) != "/": return object_list names = list(object_list[0].keys()) sorting_key = None for key in sorting_list: if key in names: sorting_key = key break if sorting_key is None: if 'name' in sorting_list: sorting_key = 'name' else: return object_list try: if sorting_key != 'name': sorting_list = [(o[sorting_key].value, o) for o in object_list] sorted_list = sorted(sorting_list, key=itemgetter(0)) return [x[1] for x in sorted_list] if sorting_key == 'name': sorting_list = [(_get_number_list(o.name),o) for o in object_list] sorting_list.sort() return [x[1] for x in sorting_list] except: #The only way to reach this point is to have different #structures among the different entries. In that case #defaults to the unfiltered case print("WARNING: Default ordering") print("Probably all entries do not have the key %s" % sorting_key) return object_list def _get_number_list(txt): rexpr = '[/a-zA-Z:-]' nbs= [float(w) for w in re.split(rexpr, txt) if w not in ['',' ']] return nbs def get_family_pattern(filelist): name1 = filelist[0] name2 = filelist[1] if name1 == name2: return name1 i0=0 for i in range(len(name1)): if i >= len(name2): break elif name1[i] == name2[i]: pass else: break i0 = i for i in range(i0,len(name1)): if i >= len(name2): break elif name1[i] != name2[i]: pass else: break i1 = i if i1 > 0: delta=1 while (i1-delta): if (name2[(i1-delta)] in ['0', '1', '2', '3', '4', '5', '6', '7', '8', '9']): delta = delta + 1 else: if delta > 1: delta = delta -1 break fmt = '%dd' % delta if delta > 1: fmt = "%0" + fmt else: fmt = "%" + fmt rootname = name1[0:(i1-delta)]+fmt+name2[i1:] else: rootname = name1[0:] return rootname class NexusDataSource(object): def __init__(self,nameInput): if type(nameInput) == type([]): nameList = nameInput else: nameList = [nameInput] self.sourceName = [] for name in nameList: if not isinstance(name, basestring): if not isinstance(name, phynx.File): text = "Constructor needs string as first argument" raise TypeError(text) else: self.sourceName.append(name.file) continue self.sourceName.append(name) self.sourceType = SOURCE_TYPE self.__sourceNameList = self.sourceName self._sourceObjectList=[] self.refresh() def refresh(self): for instance in self._sourceObjectList: instance.close() self._sourceObjectList=[] FAMILY = False for name in self.__sourceNameList: if isinstance(name, phynx.File): self._sourceObjectList.append(name) continue if not os.path.exists(name): if '%' in name: phynxInstance = phynx.File(name, 'r', driver='family') else: raise IOError("File %s does not exists" % name) try: phynxInstance = phynx.File(name, 'r') except IOError: if 'FAMILY DRIVER' in sys.exc_info()[1].args[0].upper(): FAMILY = True else: raise except TypeError: try: phynxInstance = phynx.File(name, 'r') except IOError: if 'FAMILY DRIVER' in sys.exc_info()[1].args[0].upper(): FAMILY = True else: raise if FAMILY and (len(self._sourceObjectList) > 0): txt = "Mixing segmented and non-segmented HDF5 files not supported yet" raise IOError(txt) elif FAMILY: break phynxInstance._sourceName = name self._sourceObjectList.append(phynxInstance) if FAMILY: pattern = get_family_pattern(self.__sourceNameList) if '%' in pattern: phynxInstance = phynx.File(pattern, 'r', driver='family') else: raise IOError("Cannot read set of HDF5 files") self.sourceName = [pattern] self.__sourceNameList = [pattern] self._sourceObjectList=[phynxInstance] phynxInstance._sourceName = pattern self.__lastKeyInfo = {} def getSourceInfo(self): """ Returns a dictionary with the key "KeyList" (list of all available keys in this source). Each element in "KeyList" has the form 'n1.n2' where n1 is the source number and n2 entry number in file both starting at 1. """ return self.__getSourceInfo() def __getSourceInfo(self): SourceInfo={} SourceInfo["SourceType"]=SOURCE_TYPE SourceInfo["KeyList"]=[] i = 0 for sourceObject in self._sourceObjectList: i+=1 nEntries = len(sourceObject["/"].keys()) for n in range(nEntries): SourceInfo["KeyList"].append("%d.%d" % (i,n+1)) SourceInfo["Size"]=len(SourceInfo["KeyList"]) return SourceInfo def getKeyInfo(self, key): if key in self.getSourceInfo()['KeyList']: return self.__getKeyInfo(key) else: #should we raise a KeyError? if DEBUG: print("Error key not in list ") return {} def __getKeyInfo(self,key): try: index, entry = key.split(".") index = int(index)-1 entry = int(entry)-1 except: #should we rise an error? if DEBUG: print("Error trying to interpret key = %s" % key) return {} sourceObject = self._sourceObjectList[index] info = {} info["SourceType"] = SOURCE_TYPE #doubts about if refer to the list or to the individual file info["SourceName"] = self.sourceName[index] info["Key"] = key #specific info of interest info['FileName'] = sourceObject.name return info def getDataObject(self, key, selection=None): """ key: a string of the form %d.%d indicating the file and the entry starting by 1. selection: a dictionnary generated via QNexusWidget """ if selection is not None: if 'sourcename' in selection: filename = selection['sourcename'] entry = selection['entry'] fileIndex = self.__sourceNameList.index(filename) phynxFile = self._sourceObjectList[fileIndex] if entry == "/": entryIndex = 0 else: entryIndex = list(phynxFile["/"].keys()).index(entry[1:]) else: key_split = key.split(".") fileIndex = int(key_split[0])-1 phynxFile = self._sourceObjectList[fileIndex] entryIndex = int(key_split[1])-1 entry = phynxFile["/"].keys()[entryIndex] actual_key = "%d.%d" % (fileIndex+1, entryIndex+1) if actual_key != key: if entry != "/": print("Warning selection keys do not match") else: #Probably I should find the acual entry following h5py_ordering output #and search for an NXdata plot. sourcekeys = self.getSourceInfo()['KeyList'] #a key corresponds to an image key_split= key.split(".") actual_key= "%d.%d" % (int(key_split[0]), int(key_split[1])) if actual_key not in sourcekeys: raise KeyError("Key %s not in source keys" % actual_key) raise NotImplemented("Direct NXdata plot not implemented yet") #create data object output = DataObject.DataObject() output.info = self.__getKeyInfo(actual_key) output.info['selection'] = selection if selection['selectiontype'].upper() in ["SCAN", "MCA"]: output.info['selectiontype'] = "1D" elif selection['selectiontype'] == "3D": output.info['selectiontype'] = "3D" elif selection['selectiontype'] == "2D": output.info['selectiontype'] = "2D" output.info['imageselection'] = True else: raise TypeError("Unsupported selection type %s" %\ selection['selectiontype']) if 'LabelNames' in selection: output.info['LabelNames'] = selection['LabelNames'] elif 'aliaslist' in selection: output.info['LabelNames'] = selection['aliaslist'] else: output.info['LabelNames'] = selection['cntlist'] output.x = None output.y = None output.m = None output.data = None for cnt in ['y', 'x', 'm']: if not cnt in selection: continue if not len(selection[cnt]): continue path = entry + selection['cntlist'][selection[cnt][0]] data = phynxFile[path] totalElements = 1 for dim in data.shape: totalElements *= dim if totalElements < 2.0E7: try: data = phynxFile[path].value except MemoryError: data = phynxFile[path] pass if output.info['selectiontype'] == "1D": if len(data.shape) == 2: if min(data.shape) == 1: data = numpy.ravel(data) else: raise TypeError("%s selection is not 1D" % cnt.upper()) elif len(data.shape) > 2: raise TypeError("%s selection is not 1D" % cnt.upper()) if cnt == 'y': if output.info['selectiontype'] == "2D": output.data = data else: output.y = [data] elif cnt == 'x': #there can be more than one X except for 1D if output.info['selectiontype'] == "1D": if len(selection[cnt]) > 1: raise TypeError("%s selection is not 1D" % cnt.upper()) if output.x is None: output.x = [data] if len(selection[cnt]) > 1: for xidx in range(1, len(selection[cnt])): path = entry + selection['cntlist'][selection[cnt][xidx]] data = phynxFile[path].value output.x.append(data) elif cnt == 'm': #only one monitor output.m = [data] # MCA specific if selection['selectiontype'].upper() == "MCA": if not 'Channel0' in output.info: output.info['Channel0'] = 0 """" elif selection['selectiontype'].upper() in ["BATCH"]: #assume already digested output.x = None output.y = None output.m = None output.data = None entryGroup = phynxFile[entry] output.info['Channel0'] = 0 for key in ['y', 'x', 'm', 'data']: if key not in selection: continue if type(selection[key]) != type([]): selection[key] = [selection[key]] if not len(selection[key]): continue for cnt in selection[key]: dataset = entryGroup[cnt] if cnt == 'y': if output.y is None: output.y = [dataset] else: output.y.append(dataset) elif cnt == 'x': if output.x is None: output.x = [dataset] else: output.x.append(dataset) elif cnt == 'm': if output.m is None: output.m = [dataset] else: output.m.append(dataset) elif cnt == 'data': if output.data is None: output.data = [dataset] else: output.data.append(dataset) """ return output def isUpdated(self, sourceName, key): #sourceName is redundant? index, entry = key.split(".") index = int(index)-1 lastmodified = os.path.getmtime(self.__sourceNameList[index]) if lastmodified != self.__lastKeyInfo[key]: self.__lastKeyInfo[key] = lastmodified return True else: return False source_types = { SOURCE_TYPE: NexusDataSource} def DataSource(name="", source_type=SOURCE_TYPE): try: sourceClass = source_types[source_type] except KeyError: #ERROR invalid source type raise TypeError("Invalid Source Type, source type should be one of %s" %\ source_types.keys()) return sourceClass(name) if __name__ == "__main__": import time try: sourcename=sys.argv[1] key =sys.argv[2] except: print("Usage: NexusDataSource ") sys.exit() #one can use this: obj = NexusDataSource(sourcename) #or this: obj = DataSource(sourcename) #data = obj.getData(key,selection={'pos':(10,10),'size':(40,40)}) #data = obj.getDataObject(key,selection={'pos':None,'size':None}) t0 = time.time() data = obj.getDataObject(key,selection=None) print("elapsed = ",time.time() - t0) print("info = ",data.info) if data.data is not None: print("data shape = ",data.data.shape) print(numpy.ravel(data.data)[0:10]) else: print(data.y[0].shape) print(numpy.ravel(data.y[0])[0:10]) data = obj.getDataObject('1.1',selection=None) r = int(key.split('.')[-1]) print(" data[%d,0:10] = " % (r-1),data.data[r-1 ,0:10]) print(" data[0:10,%d] = " % (r-1),data.data[0:10, r-1]) PyMca5-5.2.2/PyMca5/PyMcaData/0000755000276300001750000000000013205526235015627 5ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/PyMcaData/McaTheory.cfg0000644000276300001750000000464613136054446020220 0ustar solebliss00000000000000 [attenuators] kapton = 0, -, 0.0, 0.0 atmosphere = 0, -, 0.0, 0.0 Matrix = 0, MULTILAYER, 0.0, 0.0, 45.0, 45.0 deadlayer = 0, Si1, 2.33, 0.002 absorber = 0, -, 0.0, 0.0 window = 0, -, 0.0, 0.0 contact = 0, Au1, 19.37, 1e-06 Detector = 0, Si1, 2.33, 0.5 Filter 6 = 0, -, 0.0, 0.0 Filter 7 = 0, -, 0.0, 0.0 [peaks] [fit] deltachi = 0.001 continuum = 0 hypermetflag = 1 stripconstant = 1.0 exppolorder = 6 energy = None stripwidth = 1 stripfilterwidth = 1 sumflag = 0 stripflag = 0 linearfitflag = 0 use_limit = 0 linpolorder = 5 xmax = 1130 maxiter = 10 xmin = 83 stripiterations = 20000 escapeflag = 1 [concentrations] distance = 10.0 area = 30.0 flux = 10000000000.0 time = 1.0 useattenuators = 1 usematrix = 0 [detector] noise = 0.1 fixednoise = 0 fixedgain = 0 deltafano = 0.114 fixedfano = 0 sum = 1e-8 deltasum = 1e-8 fano = 0.114 fixedsum = 0 fixedzero = 0 zero = -0.0118 deltazero = 0.1 gain = 0.0174 deltagain = 0.001 deltanoise = 0.05 detele = Si ethreshold = 0.020 ithreshold = 1.0E-07 nthreshold = 4 [peakshape] lt_arearatio = 0.02 fixedlt_arearatio = 0 st_arearatio = 0.05 deltalt_arearatio = 0.015 deltalt_sloperatio = 7.0 deltastep_heightratio = 5e-05 st_sloperatio = 0.5 lt_sloperatio = 10.0 fixedlt_sloperatio = 0 deltast_arearatio = 0.03 fixedst_sloperatio = 0 fixedst_arearatio = 0 deltast_sloperatio = 0.49 step_heightratio = 0.0001 fixedstep_heightratio = 0 [materials] [materials.Kapton] Comment = Kapton 100 HN 25 micron density=1.42 g/cm3 Density = 1.42 Thickness = 0.0025 CompoundFraction = 0.628772, 0.066659, 0.304569 CompoundList = C1, N1, O1 [materials.Teflon] Comment = Teflon density=2.2 g/cm3 Density = 2.2 CompoundFraction = 0.240183, 0.759817 CompoundList = C1, F1 [materials.Gold] Comment = Gold CompoundFraction = 1.0 CompoundList = Au Density = 19.37 Thickness = 1e-06 [materials.Air] Comment = Dry Air (Near sea level) density=0.001204790 g/cm3 Thickness = 1.0 Density = 0.00120479 CompoundFraction = 0.000124, 0.755267, 0.231780, 0.012827, 3.20E-6 CompoundList = C1, N1, O1, Ar1, Kr1 [materials.Water] Comment = Water density=1.0 g/cm3 CompoundFraction = 1.0 CompoundList = H2O1 Density = 1.0 [materials.Viton] Comment = Viton Fluoroelastomer density=1.8 g/cm3 Density = 1.8 CompoundFraction = 0.009417, 0.280555, 0.710028 CompoundList = H1, C1, F1 [materials.Mylar] Comment = Mylar (Polyethylene Terephthalate) density=1.40 g/cm3 Density = 1.4 CompoundFraction = 0.041959, 0.625017, 0.333025 CompoundList = H1, C1, O1 PyMca5-5.2.2/PyMca5/PyMcaData/Scofield1973.dict0000644000276300001750000347110113136054446020562 0ustar solebliss00000000000000 [Ru] JL1 = 1.12282589206 JL3 = 3.4414753385 JL2 = 1.35763502084 energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 2.83580000e+00 2.85850000e+00 2.96900000e+00 2.99280000e+00 3.00000000e+00 3.20090000e+00 3.22650000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 2.20660000e+01 2.22420000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 8.97240000e+04 4.61000000e+04 2.64840000e+04 1.25340000e+04 1.23110000e+04 1.12960000e+04 1.10920000e+04 1.10310000e+04 9.50020000e+03 9.32530000e+03 5.57950000e+03 3.18780000e+03 1.97930000e+03 9.02970000e+02 4.78740000e+02 1.43490000e+02 5.88120000e+01 4.30890000e+01 4.20100000e+01 1.60020000e+01 6.19450000e+00 2.93450000e+00 1.58550000e+00 5.96750000e-01 2.79360000e-01 7.10850000e-02 2.74400000e-02 7.55220000e-03 3.16930000e-03 1.67360000e-03 1.01810000e-03 4.89180000e-04 2.90040000e-04 1.23720000e-04] M = [ 8.71600000e+05 3.37400000e+05 1.66840000e+05 6.91530000e+04 6.77560000e+04 6.14800000e+04 6.02350000e+04 5.98630000e+04 5.06630000e+04 4.96310000e+04 2.83850000e+04 1.57580000e+04 9.68540000e+03 4.44830000e+03 2.41450000e+03 7.84010000e+02 3.49220000e+02 2.64410000e+02 2.58490000e+02 1.10160000e+02 4.81420000e+01 2.52090000e+01 1.48140000e+01 6.37160000e+00 3.30120000e+00 9.97800000e-01 4.29310000e-01 1.34230000e-01 6.09180000e-02 3.39890000e-02 2.15960000e-02 1.10760000e-02 6.88080000e-03 3.16640000e-03] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.92340000e+05 1.72830000e+05 2.60900000e+05 2.60760000e+05 2.21440000e+05 2.56840000e+05 1.50620000e+05 8.47300000e+04 5.25680000e+04 2.43240000e+04 1.32420000e+04 4.30450000e+03 1.91620000e+03 1.45030000e+03 1.41780000e+03 6.03630000e+02 2.63540000e+02 1.37880000e+02 8.09630000e+01 3.47800000e+01 1.80030000e+01 5.43280000e+00 2.33540000e+00 7.29670000e-01 3.30960000e-01 1.84620000e-01 1.17300000e-01 6.01720000e-02 3.73910000e-02 1.72150000e-02] M5 = [ 3.16490000e+05 9.80960000e+04 4.00840000e+04 1.26880000e+04 1.23490000e+04 1.08540000e+04 1.05620000e+04 1.04750000e+04 8.38520000e+03 8.15750000e+03 3.83780000e+03 1.71110000e+03 8.68350000e+02 2.88660000e+02 1.19960000e+02 2.31690000e+01 6.96600000e+00 4.59420000e+00 4.44110000e+00 1.23330000e+00 3.55120000e-01 1.34570000e-01 6.08660000e-02 1.74560000e-02 6.67960000e-03 1.20210000e-03 3.73940000e-04 7.96330000e-05 2.91790000e-05 1.42110000e-05 8.12210000e-06 3.73800000e-06 2.14370000e-06 9.14630000e-07] M4 = [ 2.17080000e+05 6.77730000e+04 2.78370000e+04 8.86970000e+03 8.63460000e+03 7.59470000e+03 7.39180000e+03 7.33150000e+03 5.87630000e+03 5.71770000e+03 2.70230000e+03 1.21100000e+03 6.17380000e+02 2.06860000e+02 8.65520000e+01 1.69570000e+01 5.16030000e+00 3.41880000e+00 3.30620000e+00 9.32230000e-01 2.72870000e-01 1.04850000e-01 4.79970000e-02 1.40390000e-02 5.45390000e-03 1.01310000e-03 3.18720000e-04 6.73650000e-05 2.38260000e-05 1.11690000e-05 6.25410000e-06 2.59630000e-06 1.43080000e-06 5.30730000e-07] L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 9.13360000e+04 9.21540000e+04 7.68160000e+04 7.54420000e+04 4.31400000e+04 2.33970000e+04 1.39870000e+04 6.03500000e+03 3.08010000e+03 8.70430000e+02 3.44930000e+02 2.50160000e+02 2.43700000e+02 9.04040000e+01 3.42830000e+01 1.60260000e+01 8.57780000e+00 3.18890000e+00 1.48140000e+00 3.73010000e-01 1.43250000e-01 3.91160000e-02 1.63590000e-02 8.61950000e-03 5.23830000e-03 2.51150000e-03 1.49050000e-03 6.36450000e-04] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.92340000e+05 1.72830000e+05 1.69570000e+05 1.68610000e+05 1.44620000e+05 1.41750000e+05 7.88670000e+04 4.21460000e+04 2.49360000e+04 1.05580000e+04 5.31170000e+03 1.46030000e+03 5.66440000e+02 4.07690000e+02 3.96910000e+02 1.43570000e+02 5.30090000e+01 2.42230000e+01 1.27090000e+01 4.56680000e+00 2.06240000e+00 4.92010000e-01 1.82020000e-01 4.76000000e-02 1.95680000e-02 1.02830000e-02 6.28420000e-03 3.07920000e-03 1.86200000e-03 8.28570000e-04] M3 = [ 1.84010000e+05 9.08340000e+04 5.10600000e+04 2.35960000e+04 2.31640000e+04 2.12030000e+04 2.08100000e+04 2.06920000e+04 1.77450000e+04 1.74090000e+04 1.02790000e+04 5.79260000e+03 3.55680000e+03 1.59350000e+03 8.32660000e+02 2.42660000e+02 9.73240000e+01 7.07490000e+01 6.89310000e+01 2.55940000e+01 9.64200000e+00 4.46370000e+00 2.36360000e+00 8.59700000e-01 3.91240000e-01 9.43480000e-02 3.50500000e-02 9.21740000e-03 3.79770000e-03 1.99760000e-03 1.22190000e-03 5.99030000e-04 3.62520000e-04 1.61890000e-04] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.96460000e+04 2.86150000e+04 1.91870000e+04 1.36450000e+04 7.73130000e+03 4.85000000e+03 1.97380000e+03 1.00480000e+03 7.92450000e+02 7.77230000e+02 3.69650000e+02 1.76240000e+02 9.76270000e+01 5.96760000e+01 2.70240000e+01 1.44590000e+01 4.56780000e+00 2.01010000e+00 6.42950000e-01 2.95040000e-01 1.65720000e-01 1.05780000e-01 5.45820000e-02 3.40390000e-02 1.57500000e-02] JK = 6.36962946124 M1 = [ 6.42970000e+04 3.45950000e+04 2.13710000e+04 1.14650000e+04 1.12980000e+04 1.05330000e+04 1.03790000e+04 1.03320000e+04 9.15720000e+03 9.02120000e+03 5.98590000e+03 3.85590000e+03 2.66360000e+03 1.45630000e+03 8.96570000e+02 3.57740000e+02 1.80960000e+02 1.42550000e+02 1.39800000e+02 6.63970000e+01 3.16770000e+01 1.75710000e+01 1.07560000e+01 4.88370000e+00 2.61850000e+00 8.30150000e-01 3.66130000e-01 1.17320000e-01 5.38980000e-02 3.02920000e-02 1.93420000e-02 9.98120000e-03 6.22470000e-03 2.87940000e-03] all other = [ 8.67990000e+04 3.74750000e+04 1.99770000e+04 8.98460000e+03 8.81810000e+03 8.06540000e+03 7.91510000e+03 7.87020000e+03 6.74960000e+03 6.62270000e+03 3.94340000e+03 2.27430000e+03 1.43810000e+03 6.87130000e+02 3.82800000e+02 1.29200000e+02 5.88430000e+01 4.48520000e+01 4.38720000e+01 1.90270000e+01 8.43450000e+00 4.45670000e+00 2.63580000e+00 1.14330000e+00 5.95580000e-01 1.81390000e-01 7.83590000e-02 2.46090000e-02 1.11900000e-02 6.25110000e-03 3.97490000e-03 2.04060000e-03 1.26870000e-03 5.84570000e-04] total = [ 9.58390000e+05 3.74870000e+05 1.86810000e+05 7.81380000e+04 2.68910000e+05 2.42370000e+05 3.29050000e+05 3.28500000e+05 2.78850000e+05 3.13100000e+05 1.82950000e+05 1.02760000e+05 6.36920000e+04 2.94590000e+04 1.60390000e+04 5.21770000e+03 2.32420000e+03 1.75960000e+03 1.12080000e+04 5.15150000e+03 2.35220000e+03 1.26490000e+03 7.55670000e+02 3.31280000e+02 1.73300000e+02 5.29230000e+01 2.28520000e+01 7.16600000e+00 3.25750000e+00 1.82080000e+00 1.15920000e+00 5.96880000e-01 3.72160000e-01 1.72360000e-01] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 9.48820000e+03 4.41870000e+03 2.03210000e+03 1.09740000e+03 6.57260000e+02 2.88980000e+02 1.51400000e+02 4.63110000e+01 2.00090000e+01 6.27750000e+00 2.85440000e+00 1.59590000e+00 1.01630000e+00 5.23590000e-01 3.26620000e-01 1.51400000e-01] [Ru.binding] K = 22.0876 L1 = 3.2041 M5 = 0.29 M4 = 0.2945 M1 = 0.5742 L3 = 2.8386 M3 = 0.4593 M2 = 0.4822 L2 = 2.972 [Re] JL1 = 1.13221165895 JL3 = 2.54531519448 JL2 = 1.35618377501 energy = [ 1.00000000e+00 1.50000000e+00 1.89050000e+00 1.90570000e+00 1.95980000e+00 1.97550000e+00 2.00000000e+00 2.35810000e+00 2.37690000e+00 2.67530000e+00 2.69670000e+00 2.91020000e+00 2.93350000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.05270000e+01 1.06120000e+01 1.19820000e+01 1.20780000e+01 1.25000000e+01 1.26000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 7.18130000e+01 7.23880000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 4.95023764713 M5 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.54390000e+05 5.69570000e+05 5.74010000e+05 5.67620000e+05 3.74100000e+05 3.66170000e+05 2.65850000e+05 2.60130000e+05 2.12670000e+05 2.08150000e+05 1.95960000e+05 8.57730000e+04 4.35210000e+04 2.44990000e+04 9.57490000e+03 4.49200000e+03 3.76090000e+03 3.65840000e+03 2.39250000e+03 2.32610000e+03 2.06000000e+03 2.00260000e+03 1.07250000e+03 3.72720000e+02 7.99470000e+01 2.60370000e+01 1.07690000e+01 5.20520000e+00 2.53610000e+00 2.45640000e+00 1.64570000e+00 6.74190000e-01 1.36030000e-01 4.51370000e-02 1.02760000e-02 3.86670000e-03 1.90570000e-03 1.10820000e-03 5.01010000e-04 2.87530000e-04 1.19330000e-04] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.02790000e+05 3.08650000e+05 2.64860000e+05 2.59360000e+05 1.89370000e+05 1.85350000e+05 1.51750000e+05 1.48520000e+05 1.39880000e+05 6.23090000e+04 3.19990000e+04 1.81930000e+04 7.22660000e+03 3.43540000e+03 2.88500000e+03 2.80770000e+03 1.85040000e+03 1.79990000e+03 1.59740000e+03 1.55370000e+03 8.41760000e+02 2.98630000e+02 6.61730000e+01 2.21120000e+01 9.34420000e+00 4.60040000e+00 2.28370000e+00 2.21370000e+00 1.49880000e+00 6.28610000e-01 1.31940000e-01 4.47270000e-02 1.03020000e-02 3.83610000e-03 1.85120000e-03 1.04940000e-03 4.59760000e-04 2.52410000e-04 9.71670000e-05] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.63910000e+04 2.61200000e+04 1.74160000e+04 1.24990000e+04 9.25780000e+03 5.62570000e+03 3.73870000e+03 3.39600000e+03 3.34530000e+03 2.65190000e+03 2.61150000e+03 2.44390000e+03 2.40650000e+03 1.70680000e+03 9.49620000e+02 3.99360000e+02 2.10020000e+02 1.25590000e+02 8.16850000e+01 5.30130000e+01 5.19960000e+01 4.07330000e+01 2.34350000e+01 8.39140000e+00 4.01010000e+00 1.42390000e+00 6.95850000e-01 4.06920000e-01 2.66640000e-01 1.41420000e-01 8.89710000e-02 4.08580000e-02] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.31600000e+05 1.09850000e+05 1.08520000e+05 9.56010000e+04 9.42870000e+04 9.06690000e+04 5.48290000e+04 3.54780000e+04 2.42730000e+04 1.28380000e+04 7.58820000e+03 6.69800000e+03 6.56850000e+03 4.86260000e+03 4.76650000e+03 4.37150000e+03 4.28420000e+03 2.73580000e+03 1.26620000e+03 4.03160000e+02 1.72440000e+02 8.75930000e+01 4.98460000e+01 2.83780000e+01 2.76730000e+01 2.01700000e+01 9.90660000e+00 2.70190000e+00 1.08230000e+00 3.08950000e-01 1.32560000e-01 7.11310000e-02 4.38710000e-02 2.14930000e-02 1.29000000e-02 5.59610000e-03] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.42420000e+04 4.00770000e+04 3.97600000e+04 3.87880000e+04 2.57560000e+04 1.78970000e+04 1.28640000e+04 7.25960000e+03 4.49580000e+03 4.00850000e+03 3.93740000e+03 2.98750000e+03 2.93290000e+03 2.70730000e+03 2.65730000e+03 1.75530000e+03 8.58330000e+02 2.95330000e+02 1.33660000e+02 7.10390000e+01 4.19910000e+01 2.48410000e+01 2.42660000e+01 1.80760000e+01 9.32930000e+00 2.78960000e+00 1.19190000e+00 3.69890000e-01 1.66730000e-01 9.22470000e-02 5.80250000e-02 2.91650000e-02 1.77460000e-02 7.84770000e-03] total = [ 1.19360000e+06 5.31060000e+05 3.24650000e+05 4.73470000e+05 8.69790000e+05 9.71840000e+05 1.16350000e+06 8.38450000e+05 9.53090000e+05 7.15080000e+05 7.45550000e+05 6.23820000e+05 6.38580000e+05 6.06770000e+05 3.04800000e+05 1.75710000e+05 1.11050000e+05 5.32510000e+04 2.98460000e+04 2.60950000e+04 6.64200000e+04 4.80370000e+04 6.51470000e+04 5.98510000e+04 6.77640000e+04 4.36020000e+04 2.04690000e+04 6.91380000e+03 3.15980000e+03 1.71080000e+03 1.03310000e+03 6.26980000e+02 3.10370000e+03 2.37980000e+03 1.32950000e+03 4.48010000e+02 2.05890000e+02 6.98970000e+01 3.33920000e+01 1.92910000e+01 1.25560000e+01 6.62150000e+00 4.16190000e+00 1.91490000e+00] JM2 = 1.04261061699 JM3 = 1.13672848709 K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.49050000e+03 1.91570000e+03 1.08060000e+03 3.67760000e+02 1.69710000e+02 5.78340000e+01 2.76900000e+01 1.60250000e+01 1.04460000e+01 5.52120000e+00 3.47620000e+00 1.60330000e+00] JM1 = 1.02366067135 M = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.54390000e+05 5.69570000e+05 6.76800000e+05 8.76280000e+05 6.38970000e+05 7.57130000e+05 5.65080000e+05 5.98240000e+05 5.00100000e+05 5.17100000e+05 4.91410000e+05 2.46080000e+05 1.41390000e+05 8.90860000e+04 4.25250000e+04 2.37500000e+04 2.07480000e+04 2.03170000e+04 1.47450000e+04 1.44370000e+04 1.31800000e+04 1.29040000e+04 8.11220000e+03 3.74550000e+03 1.24400000e+03 5.64270000e+02 3.04330000e+02 1.83330000e+02 1.11050000e+02 1.08600000e+02 8.21240000e+01 4.39740000e+01 1.41510000e+01 6.37430000e+00 2.12330000e+00 1.00280000e+00 5.74060000e-01 3.70690000e-01 1.93040000e-01 1.20160000e-01 5.45180000e-02] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.08640000e+04 2.94570000e+04 4.69520000e+04 4.32320000e+04 5.14910000e+04 3.33470000e+04 1.57160000e+04 5.32850000e+03 2.43870000e+03 1.32120000e+03 7.98070000e+02 4.84440000e+02 4.73800000e+02 3.58610000e+02 1.92340000e+02 6.20170000e+01 2.79580000e+01 9.32140000e+00 4.40620000e+00 2.52430000e+00 1.63140000e+00 8.50690000e-01 5.30240000e-01 2.41060000e-01] JM4 = 1.11732717093 JM5 = 1.45840135531 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.81050000e+04 1.68630000e+04 1.64660000e+04 1.05650000e+04 4.83540000e+03 1.54450000e+03 6.66690000e+02 3.43330000e+02 1.98350000e+02 1.15000000e+02 1.12240000e+02 8.27560000e+01 4.18490000e+01 1.21490000e+01 5.10890000e+00 1.55950000e+00 6.97190000e-01 3.83910000e-01 2.40780000e-01 1.20510000e-01 7.31540000e-02 3.22950000e-02] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.08640000e+04 2.94570000e+04 2.88470000e+04 2.63680000e+04 2.58210000e+04 1.59370000e+04 6.87260000e+03 2.02040000e+03 8.24970000e+02 4.06080000e+02 2.25930000e+02 1.26110000e+02 1.22880000e+02 8.86780000e+01 4.27050000e+01 1.13220000e+01 4.46820000e+00 1.25620000e+00 5.35040000e-01 2.85930000e-01 1.75910000e-01 8.61010000e-02 5.16430000e-02 2.24050000e-02] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 9.20300000e+03 6.84430000e+03 4.00840000e+03 1.76360000e+03 9.47040000e+02 5.71790000e+02 3.73800000e+02 2.43330000e+02 2.38680000e+02 1.87180000e+02 1.07780000e+02 3.85460000e+01 1.83810000e+01 6.50580000e+00 3.17400000e+00 1.85450000e+00 1.21470000e+00 6.44080000e-01 4.05440000e-01 1.86360000e-01] all other = [ 1.19360000e+06 5.31060000e+05 3.24650000e+05 3.19080000e+05 3.00220000e+05 2.95040000e+05 2.87220000e+05 1.99480000e+05 1.95950000e+05 1.50010000e+05 1.47310000e+05 1.23730000e+05 1.21480000e+05 1.15360000e+05 5.87220000e+04 3.43200000e+04 2.19610000e+04 1.07260000e+04 6.09630000e+03 5.34680000e+03 5.23880000e+03 3.83600000e+03 3.75800000e+03 3.43910000e+03 3.36900000e+03 2.14300000e+03 1.00670000e+03 3.41340000e+02 1.56780000e+02 8.53030000e+01 5.17060000e+01 3.14940000e+01 3.08070000e+01 2.33610000e+01 1.25800000e+01 4.08290000e+00 1.84750000e+00 6.18580000e-01 2.92940000e-01 1.67960000e-01 1.08570000e-01 5.65940000e-02 3.52580000e-02 1.60090000e-02] [Re.binding] K = 71.885 L1 = 12.5126 M5 = 1.8924 M4 = 1.9618 M1 = 2.9131 L3 = 10.5379 M3 = 2.3604 M2 = 2.678 L2 = 11.9938 [Ra] JL1 = 1.13319729412 JL3 = 2.38071930198 JL2 = 1.38053669576 energy = [ 1.00000000e+00 1.04800000e+00 1.05640000e+00 1.19010000e+00 1.19970000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 3.10760000e+00 3.13250000e+00 3.25530000e+00 3.28130000e+00 3.76960000e+00 3.79980000e+00 4.00000000e+00 4.47850000e+00 4.51430000e+00 4.79530000e+00 4.83370000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 1.54400000e+01 1.55630000e+01 1.85430000e+01 1.86920000e+01 1.92320000e+01 1.93860000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.04340000e+02 1.05170000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 4.347430256 M5 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.80110000e+05 3.04380000e+05 2.98280000e+05 2.09810000e+05 2.05240000e+05 1.77650000e+05 1.28290000e+05 1.25360000e+05 1.05750000e+05 1.03420000e+05 9.39330000e+04 5.45650000e+04 2.24430000e+04 1.09290000e+04 2.78710000e+03 2.52150000e+03 2.45250000e+03 1.32580000e+03 1.28880000e+03 1.16450000e+03 1.13190000e+03 1.01270000e+03 2.30810000e+02 7.83800000e+01 3.34410000e+01 1.65600000e+01 5.42590000e+00 2.28020000e+00 1.93420000e+00 1.87530000e+00 4.79120000e-01 1.62430000e-01 3.78160000e-02 1.43600000e-02 7.14740000e-03 4.16060000e-03 1.88990000e-03 1.07800000e-03 4.41040000e-04] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.39650000e+05 1.52350000e+05 1.49240000e+05 1.30130000e+05 9.49000000e+04 9.27740000e+04 7.79810000e+04 7.63120000e+04 6.96190000e+04 4.10400000e+04 1.72530000e+04 8.54640000e+03 2.25230000e+03 2.04300000e+03 1.98860000e+03 1.09150000e+03 1.06180000e+03 9.61920000e+02 9.35630000e+02 8.39370000e+02 1.98940000e+02 6.96370000e+01 3.04650000e+01 1.54110000e+01 5.22720000e+00 2.25680000e+00 1.92410000e+00 1.86730000e+00 4.96490000e-01 1.72840000e-01 4.10750000e-02 1.55640000e-02 7.66970000e-03 4.39320000e-03 1.92520000e-03 1.08040000e-03 4.17660000e-04] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.46980000e+04 1.40270000e+04 1.09620000e+04 7.09970000e+03 4.92040000e+03 2.39660000e+03 2.27110000e+03 2.23760000e+03 1.60530000e+03 1.58070000e+03 1.49580000e+03 1.47290000e+03 1.38640000e+03 6.12420000e+02 3.32910000e+02 2.04180000e+02 1.35600000e+02 6.98650000e+01 4.12250000e+01 3.72470000e+01 3.65420000e+01 1.54500000e+01 7.62150000e+00 2.82510000e+00 1.41970000e+00 8.46040000e-01 5.61600000e-01 3.02230000e-01 1.91410000e-01 8.79310000e-02] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 8.08550000e+04 7.48960000e+04 6.30440000e+04 6.22000000e+04 5.57870000e+04 5.49580000e+04 5.15380000e+04 3.66760000e+04 2.05330000e+04 1.26400000e+04 4.88830000e+03 4.55520000e+03 4.46700000e+03 2.88010000e+03 2.82230000e+03 2.62430000e+03 2.57120000e+03 2.37270000e+03 8.04530000e+02 3.59080000e+02 1.88300000e+02 1.09870000e+02 4.61650000e+01 2.33020000e+01 2.04450000e+01 1.99480000e+01 6.64670000e+00 2.73570000e+00 8.04800000e-01 3.50280000e-01 1.89380000e-01 1.17070000e-01 5.73130000e-02 3.42200000e-02 1.46420000e-02] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.32910000e+04 2.19220000e+04 2.17480000e+04 2.10780000e+04 1.64570000e+04 1.04900000e+04 7.02140000e+03 3.09160000e+03 2.90570000e+03 2.85600000e+03 1.93770000e+03 1.90310000e+03 1.78390000e+03 1.75170000e+03 1.63070000e+03 6.18610000e+02 2.98610000e+02 1.66440000e+02 1.02140000e+02 4.65030000e+01 2.50030000e+01 2.22040000e+01 2.17140000e+01 8.00480000e+00 3.57090000e+00 1.16810000e+00 5.43220000e-01 3.07070000e-01 1.96040000e-01 1.00240000e-01 6.17360000e-02 2.77610000e-02] total = [ 2.32270000e+06 2.13310000e+06 2.13270000e+06 1.70530000e+06 1.71400000e+06 1.10260000e+06 6.03790000e+05 2.46120000e+05 2.27140000e+05 6.03150000e+05 5.08660000e+05 7.38520000e+05 5.07670000e+05 5.78170000e+05 5.09370000e+05 3.83300000e+05 3.98860000e+05 3.43940000e+05 3.52080000e+05 3.24860000e+05 2.07790000e+05 1.01540000e+05 5.76390000e+04 2.02610000e+04 1.87960000e+04 4.47480000e+04 2.78370000e+04 3.84300000e+04 3.57740000e+04 4.05390000e+04 3.74090000e+04 1.31590000e+04 6.15690000e+03 3.39170000e+03 2.07560000e+03 9.51260000e+02 5.17930000e+02 4.61330000e+02 2.00560000e+03 8.05350000e+02 3.80530000e+02 1.34080000e+02 6.56160000e+01 3.85490000e+01 2.53850000e+01 1.35640000e+01 8.57330000e+00 3.94410000e+00] JM2 = 1.04059483433 JM3 = 1.13886973822 K = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 1554.2 633.76 301.67 107.07 52.624 31.015 20.476 10.983 6.9594 3.2116] JM1 = 1.02366691865 M = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.80110000e+05 3.04380000e+05 5.37930000e+05 3.62160000e+05 4.35330000e+05 3.82680000e+05 2.86240000e+05 3.03620000e+05 2.61440000e+05 2.71140000e+05 2.50200000e+05 1.59700000e+05 7.78180000e+04 4.40570000e+04 1.54160000e+04 1.42970000e+04 1.40020000e+04 8.84040000e+03 8.65680000e+03 8.03050000e+03 7.86330000e+03 7.24190000e+03 2.46530000e+03 1.13860000e+03 6.22830000e+02 3.79580000e+02 1.73190000e+02 9.40670000e+01 8.37540000e+01 8.19470000e+01 3.10770000e+01 1.42630000e+01 4.87690000e+00 2.34310000e+00 1.35730000e+00 8.83270000e-01 4.63600000e-01 2.89520000e-01 1.31190000e-01] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.63380000e+04 1.61930000e+04 2.70270000e+04 2.51930000e+04 3.01770000e+04 2.78620000e+04 9.89740000e+03 4.64730000e+03 2.56470000e+03 1.57110000e+03 7.20680000e+02 3.92550000e+02 3.49670000e+02 3.42150000e+02 1.30090000e+02 5.97960000e+01 2.04820000e+01 9.85560000e+00 5.71720000e+00 3.72540000e+00 1.95970000e+00 1.22600000e+00 5.56690000e-01] JM4 = 1.45189320961 JM5 = 2.65541075988 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.11740000e+04 1.05040000e+04 1.03190000e+04 9.45290000e+03 3.32520000e+03 1.52330000e+03 8.18370000e+02 4.88500000e+02 2.14040000e+02 1.12130000e+02 9.91310000e+01 9.68630000e+01 3.45560000e+01 1.50970000e+01 4.83070000e+00 2.22160000e+00 1.24800000e+00 7.93520000e-01 4.03950000e-01 2.48260000e-01 1.11210000e-01] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.63380000e+04 1.61930000e+04 1.58520000e+04 1.46880000e+04 1.43760000e+04 1.32070000e+04 4.08170000e+03 1.72090000e+03 8.68560000e+02 4.92900000e+02 1.99330000e+02 9.81090000e+01 8.57070000e+01 8.35570000e+01 2.69810000e+01 1.08890000e+01 3.13950000e+00 1.35320000e+00 7.27790000e-01 4.48480000e-01 2.18820000e-01 1.30700000e-01 5.59150000e-02] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.48220000e+03 5.20270000e+03 2.49050000e+03 1.40320000e+03 8.77780000e+02 5.89660000e+02 3.07310000e+02 1.82310000e+02 1.64840000e+02 1.61730000e+02 6.85550000e+01 3.38100000e+01 1.25120000e+01 6.28080000e+00 3.74140000e+00 2.48340000e+00 1.33690000e+00 8.47040000e-01 3.89570000e-01] all other = [ 2.32270000e+06 2.13310000e+06 2.13270000e+06 1.70530000e+06 1.71400000e+06 1.10260000e+06 6.03790000e+05 2.46120000e+05 2.27140000e+05 2.23040000e+05 2.04280000e+05 2.00580000e+05 1.45510000e+05 1.42840000e+05 1.26690000e+05 9.70560000e+04 9.52390000e+04 8.25040000e+04 8.09490000e+04 7.46600000e+04 4.80900000e+04 2.37200000e+04 1.35820000e+04 4.84550000e+03 4.49890000e+03 4.40760000e+03 2.80400000e+03 2.74660000e+03 2.55110000e+03 2.49890000e+03 2.30440000e+03 7.96160000e+02 3.70930000e+02 2.04150000e+02 1.24990000e+02 5.73910000e+01 3.13170000e+01 2.79050000e+01 2.73070000e+01 1.04170000e+01 4.79960000e+00 1.64790000e+00 7.93540000e-01 4.60220000e-01 2.99710000e-01 1.57450000e-01 9.83900000e-02 4.45820000e-02] [Ra.binding] K = 104.4397 L1 = 19.2513 M5 = 3.1107 M4 = 3.2585 M1 = 4.8001 L3 = 15.455 M3 = 3.7734 M2 = 4.483 L2 = 18.5617 [Rb] JL1 = 1.12108819735 JL3 = 3.91433773327 JL2 = 1.36345664368 energy = [ 1.00000000e+00 1.50000000e+00 1.80320000e+00 1.81760000e+00 1.86530000e+00 1.88020000e+00 2.00000000e+00 2.04610000e+00 2.06250000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 1.51440000e+01 1.52650000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 6.05110000e+04 2.76760000e+04 1.86580000e+04 1.83330000e+04 1.73120000e+04 1.70070000e+04 1.48000000e+04 1.40520000e+04 1.37990000e+04 5.61350000e+03 2.66800000e+03 1.45580000e+03 8.72300000e+02 3.77410000e+02 1.92420000e+02 5.38630000e+01 5.22330000e+01 5.09090000e+01 2.10920000e+01 5.40990000e+00 2.01480000e+00 9.27620000e-01 4.90130000e-01 1.78460000e-01 8.15850000e-02 2.00240000e-02 7.55520000e-03 2.01800000e-03 8.32880000e-04 4.34920000e-04 2.62770000e-04 1.25140000e-04 7.36400000e-05 3.11640000e-05] M = [ 4.23500000e+05 1.60420000e+05 1.01810000e+05 9.98020000e+04 9.35590000e+04 9.17110000e+04 7.85500000e+04 7.41740000e+04 7.26980000e+04 2.78470000e+04 1.30850000e+04 7.21450000e+03 4.41150000e+03 2.01180000e+03 1.08620000e+03 3.49050000e+02 3.39750000e+02 3.32180000e+02 1.54260000e+02 4.81000000e+01 2.08300000e+01 1.08220000e+01 6.31520000e+00 2.68460000e+00 1.37780000e+00 4.08850000e-01 1.73750000e-01 5.34640000e-02 2.40250000e-02 1.33240000e-02 8.43490000e-03 4.31290000e-03 2.67960000e-03 1.23860000e-03] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.22280000e+05 3.03640000e+05 4.52680000e+05 3.98300000e+05 3.76980000e+05 4.33930000e+05 1.70160000e+05 8.08110000e+04 4.46740000e+04 2.73170000e+04 1.24200000e+04 6.68500000e+03 2.13560000e+03 2.07840000e+03 2.03190000e+03 9.40410000e+02 2.91930000e+02 1.26050000e+02 6.53500000e+01 3.80780000e+01 1.61520000e+01 8.27680000e+00 2.45200000e+00 1.04060000e+00 3.19770000e-01 1.43590000e-01 7.96080000e-02 5.03940000e-02 2.57680000e-02 1.60100000e-02 7.40300000e-03] M5 = [ 1.17210000e+05 3.30240000e+04 1.79950000e+04 1.75200000e+04 1.60610000e+04 1.56350000e+04 1.26810000e+04 1.17320000e+04 1.14160000e+04 3.04730000e+03 1.05320000e+03 4.50060000e+02 2.21160000e+02 7.00540000e+01 2.80490000e+01 5.06900000e+00 4.86550000e+00 4.70200000e+00 1.46330000e+00 2.47420000e-01 6.91430000e-02 2.55950000e-02 1.13020000e-02 3.15360000e-03 1.18610000e-03 2.09160000e-04 6.40730000e-05 1.34070000e-05 4.83700000e-06 2.31940000e-06 1.34980000e-06 6.07210000e-07 3.59940000e-07 1.53530000e-07] M4 = [ 8.02640000e+04 2.27300000e+04 1.24160000e+04 1.20900000e+04 1.10860000e+04 1.07940000e+04 8.76200000e+03 8.10910000e+03 7.89160000e+03 2.11860000e+03 7.35800000e+02 3.15740000e+02 1.55720000e+02 4.96420000e+01 1.99910000e+01 3.65870000e+00 3.51290000e+00 3.39570000e+00 1.06720000e+00 1.83550000e-01 5.20280000e-02 1.94910000e-02 8.75310000e-03 2.49000000e-03 9.49030000e-04 1.70720000e-04 5.27020000e-05 1.08700000e-05 3.80570000e-06 1.77600000e-06 9.72340000e-07 4.12840000e-07 2.18750000e-07 8.08860000e-08] L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.53310000e+05 1.36050000e+05 1.29330000e+05 1.26910000e+05 4.72260000e+04 2.11460000e+04 1.10600000e+04 6.41910000e+03 2.65500000e+03 1.31330000e+03 3.51560000e+02 3.40610000e+02 3.31730000e+02 1.34330000e+02 3.35340000e+01 1.23010000e+01 5.60940000e+00 2.94440000e+00 1.06320000e+00 4.83580000e-01 1.17570000e-01 4.41720000e-02 1.17440000e-02 4.83470000e-03 2.52100000e-03 1.52540000e-03 7.25740000e-04 4.27740000e-04 1.80670000e-04] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.22280000e+05 3.03640000e+05 2.99370000e+05 2.62250000e+05 2.47650000e+05 2.42600000e+05 8.83860000e+04 3.90280000e+04 2.02120000e+04 1.16370000e+04 4.74870000e+03 2.32370000e+03 6.08690000e+02 5.89410000e+02 5.73780000e+02 2.28620000e+02 5.55170000e+01 1.99100000e+01 8.90380000e+00 4.59360000e+00 1.61010000e+00 7.14340000e-01 1.65590000e-01 6.02200000e-02 1.54500000e-02 6.29300000e-03 3.29290000e-03 2.00410000e-03 9.81490000e-04 5.94280000e-04 2.68070000e-04] M3 = [ 1.19510000e+05 5.34970000e+04 3.57540000e+04 3.51180000e+04 3.31210000e+04 3.25250000e+04 2.82270000e+04 2.67740000e+04 2.62810000e+04 1.05180000e+04 4.93720000e+03 2.66760000e+03 1.58530000e+03 6.76720000e+02 3.41240000e+02 9.34440000e+01 9.05660000e+01 8.82300000e+01 3.59570000e+01 8.96710000e+00 3.26410000e+00 1.47370000e+00 7.65350000e-01 2.70600000e-01 1.20720000e-01 2.81520000e-02 1.02780000e-02 2.64670000e-03 1.07970000e-03 5.65600000e-04 3.45110000e-04 1.68910000e-04 1.02630000e-04 4.61420000e-05] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 6.44130000e+04 3.45510000e+04 2.06360000e+04 1.34030000e+04 9.26130000e+03 5.01620000e+03 3.04800000e+03 1.17540000e+03 1.14840000e+03 1.12640000e+03 5.77460000e+02 2.02880000e+02 9.38410000e+01 5.08370000e+01 3.05400000e+01 1.34780000e+01 7.07890000e+00 2.16880000e+00 9.36250000e-01 2.92570000e-01 1.32470000e-01 7.37940000e-02 4.68640000e-02 2.40610000e-02 1.49880000e-02 6.95420000e-03] JK = 6.82389297768 M1 = [ 4.60020000e+04 2.34900000e+04 1.69830000e+04 1.67410000e+04 1.59790000e+04 1.57500000e+04 1.40800000e+04 1.35060000e+04 1.33100000e+04 6.54960000e+03 3.69070000e+03 2.32530000e+03 1.57700000e+03 8.37940000e+02 5.04520000e+02 1.93010000e+02 1.88570000e+02 1.84950000e+02 9.46750000e+01 3.32920000e+01 1.54300000e+01 8.37520000e+00 5.03960000e+00 2.22990000e+00 1.17340000e+00 3.60290000e-01 1.55800000e-01 4.87750000e-02 2.21040000e-02 1.23190000e-02 7.82470000e-03 4.01780000e-03 2.50270000e-03 1.16110000e-03] all other = [ 2.61010000e+04 1.18190000e+04 8.03960000e+03 7.90400000e+03 7.47790000e+03 7.35080000e+03 6.43090000e+03 6.11890000e+03 6.01310000e+03 2.57620000e+03 1.29890000e+03 7.49890000e+02 4.73790000e+02 2.25880000e+02 1.25560000e+02 4.21730000e+01 4.10870000e+01 4.02020000e+01 1.91260000e+01 6.13400000e+00 2.69860000e+00 1.41630000e+00 8.32490000e-01 3.57240000e-01 1.84420000e-01 5.52100000e-02 2.35610000e-02 7.28070000e-03 3.27850000e-03 1.82040000e-03 1.15340000e-03 5.90520000e-04 3.67220000e-04 1.70140000e-04] total = [ 4.49600000e+05 1.72240000e+05 1.09850000e+05 4.29990000e+05 4.04670000e+05 5.51750000e+05 4.83280000e+05 4.57270000e+05 5.12640000e+05 2.00590000e+05 9.51940000e+04 5.26390000e+04 3.22030000e+04 1.46580000e+04 7.89680000e+03 2.52680000e+03 2.45930000e+03 1.67820000e+04 8.35710000e+03 2.76940000e+03 1.23430000e+03 6.51660000e+02 3.84040000e+02 1.65020000e+02 8.51190000e+01 2.53960000e+01 1.08050000e+01 3.32680000e+00 1.49580000e+00 8.30280000e-01 5.26260000e-01 2.69800000e-01 1.68030000e-01 7.80300000e-02] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.43780000e+04 7.24330000e+03 2.42330000e+03 1.08480000e+03 5.74070000e+02 3.38820000e+02 1.45820000e+02 7.52800000e+01 2.24800000e+01 9.56750000e+00 2.94630000e+00 1.32490000e+00 7.35530000e-01 4.66270000e-01 2.39130000e-01 1.48980000e-01 6.92190000e-02] [Rb.binding] K = 15.1593 L1 = 2.0481 M5 = 0.1175 M4 = 0.1192 M1 = 0.3133 L3 = 1.805 M3 = 0.2373 M2 = 0.2467 L2 = 1.8671 [Rn] JL1 = 1.13301816115 JL3 = 2.40096300051 JL2 = 1.37484709227 energy = [ 1.00000000e+00 1.07290000e+00 1.08150000e+00 1.50000000e+00 2.00000000e+00 2.88590000e+00 2.90900000e+00 3.00000000e+00 3.01840000e+00 3.04260000e+00 3.51420000e+00 3.54230000e+00 4.00000000e+00 4.14430000e+00 4.17750000e+00 4.44740000e+00 4.48300000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.46040000e+01 1.47210000e+01 1.50000000e+01 1.73800000e+01 1.75190000e+01 1.80390000e+01 1.81840000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 9.87570000e+01 9.95470000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 4.44474404713 M5 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.30970000e+05 3.47430000e+05 3.41140000e+05 3.34010000e+05 2.30420000e+05 2.25370000e+05 1.59690000e+05 1.44220000e+05 1.40950000e+05 1.18380000e+05 1.15800000e+05 8.43580000e+04 4.89820000e+04 1.99430000e+04 9.66030000e+03 2.67880000e+03 2.60550000e+03 2.44040000e+03 1.45480000e+03 1.41420000e+03 1.27450000e+03 1.23880000e+03 8.81250000e+02 1.99090000e+02 6.71950000e+01 2.85410000e+01 1.40830000e+01 4.59010000e+00 2.01780000e+00 1.95600000e+00 1.92170000e+00 4.01380000e-01 1.35590000e-01 3.14490000e-02 1.19900000e-02 5.93100000e-03 3.45210000e-03 1.56260000e-03 8.98010000e-04 3.64470000e-04] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.32150000e+05 1.66800000e+05 1.63330000e+05 1.17080000e+05 1.05980000e+05 1.03620000e+05 8.67690000e+04 8.49080000e+04 6.27580000e+04 3.67950000e+04 1.53090000e+04 7.53550000e+03 2.15120000e+03 2.09380000e+03 1.96410000e+03 1.18530000e+03 1.15300000e+03 1.04170000e+03 1.01320000e+03 7.26690000e+02 1.70530000e+02 5.92900000e+01 2.58060000e+01 1.30020000e+01 4.38370000e+00 1.97570000e+00 1.91710000e+00 1.88450000e+00 4.11670000e-01 1.42690000e-01 3.37350000e-02 1.28350000e-02 6.26700000e-03 3.58390000e-03 1.56720000e-03 8.76620000e-04 3.39080000e-04] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.62580000e+04 1.39210000e+04 1.07350000e+04 6.93050000e+03 4.77480000e+03 2.41450000e+03 2.37880000e+03 2.29690000e+03 1.73540000e+03 1.70880000e+03 1.61470000e+03 1.59000000e+03 1.32010000e+03 5.78260000e+02 3.12760000e+02 1.91120000e+02 1.26510000e+02 6.48650000e+01 3.92940000e+01 3.85490000e+01 3.81300000e+01 1.41920000e+01 6.96690000e+00 2.56520000e+00 1.28330000e+00 7.62460000e-01 5.05040000e-01 2.71130000e-01 1.71530000e-01 7.87760000e-02] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 8.51430000e+04 7.28610000e+04 6.89100000e+04 6.79980000e+04 6.08090000e+04 5.99140000e+04 4.87320000e+04 3.47760000e+04 1.92700000e+04 1.17980000e+04 4.82410000e+03 4.73060000e+03 4.51650000e+03 3.12270000e+03 3.06010000e+03 2.84030000e+03 2.78290000e+03 2.17580000e+03 7.31080000e+02 3.24260000e+02 1.69260000e+02 9.84050000e+01 4.11170000e+01 2.14870000e+01 2.09630000e+01 2.06710000e+01 5.85700000e+00 2.40090000e+00 7.03100000e-01 3.05620000e-01 1.64930000e-01 1.01930000e-01 4.99160000e-02 2.98140000e-02 1.27930000e-02] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.53530000e+04 2.41350000e+04 2.39600000e+04 2.11710000e+04 1.60640000e+04 1.00630000e+04 6.64890000e+03 3.04640000e+03 2.99380000e+03 2.87290000e+03 2.06870000e+03 2.03160000e+03 1.90040000e+03 1.86590000e+03 1.49650000e+03 5.58960000e+02 2.67060000e+02 1.47750000e+02 9.01250000e+01 4.06750000e+01 2.25110000e+01 2.20100000e+01 2.17300000e+01 6.88260000e+00 3.04950000e+00 9.89240000e-01 4.58080000e-01 2.57940000e-01 1.64290000e-01 8.37520000e-02 5.14870000e-02 2.30950000e-02] total = [ 2.14300000e+06 1.88330000e+06 1.89460000e+06 9.97720000e+05 5.45010000e+05 2.41920000e+05 7.68550000e+05 5.68940000e+05 5.59580000e+05 8.80660000e+05 5.51160000e+05 6.24980000e+05 4.63390000e+05 4.23760000e+05 4.40610000e+05 3.78640000e+05 3.87720000e+05 2.97870000e+05 1.90400000e+05 9.27050000e+04 5.25290000e+04 1.97300000e+04 4.73710000e+04 4.51130000e+04 3.02470000e+04 4.15850000e+04 3.87090000e+04 4.38580000e+04 3.43260000e+04 1.20040000e+04 5.59800000e+03 3.07510000e+03 1.87770000e+03 8.57750000e+02 4.82120000e+02 2.14290000e+03 2.12500000e+03 7.41180000e+02 3.49120000e+02 1.22240000e+02 5.95890000e+01 3.49090000e+01 2.29430000e+01 1.22320000e+01 7.72390000e+00 3.55290000e+00] JM2 = 1.03976307344 JM3 = 1.13393569925 K = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 1671.2 1659.1 587.51 278.72 98.232 48.069 28.243 18.606 9.9551 6.3009 2.9072] JM1 = 1.02398056201 M = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.30970000e+05 3.47430000e+05 3.41140000e+05 6.66160000e+05 3.97210000e+05 4.73850000e+05 3.49630000e+05 3.19110000e+05 3.37920000e+05 2.90090000e+05 3.00840000e+05 2.30940000e+05 1.47350000e+05 7.15160000e+04 4.04170000e+04 1.51150000e+04 1.48030000e+04 1.40910000e+04 9.56690000e+03 9.36790000e+03 8.67160000e+03 8.49080000e+03 6.60040000e+03 2.23790000e+03 1.03060000e+03 5.62470000e+02 3.42130000e+02 1.55630000e+02 8.72860000e+01 8.53950000e+01 8.43370000e+01 2.77450000e+01 1.26960000e+01 4.32270000e+00 2.07190000e+00 1.19750000e+00 7.78290000e-01 4.07920000e-01 2.54610000e-01 1.15370000e-01] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.80470000e+04 2.67150000e+04 1.77360000e+04 2.93330000e+04 2.73640000e+04 3.27490000e+04 2.56820000e+04 9.06270000e+03 4.24060000e+03 2.33310000e+03 1.42590000e+03 6.51880000e+02 3.66530000e+02 3.58620000e+02 3.54200000e+02 1.16860000e+02 5.35470000e+01 1.82620000e+01 8.76520000e+00 5.07310000e+00 3.30130000e+00 1.73390000e+00 1.08400000e+00 4.92190000e-01] JM4 = 1.57378748347 JM5 = 3.17687665344 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.19710000e+04 1.13070000e+04 1.10830000e+04 8.59290000e+03 2.98620000e+03 1.35720000e+03 7.23930000e+02 4.29730000e+02 1.86780000e+02 1.00950000e+02 9.86190000e+01 9.73190000e+01 2.97100000e+01 1.29010000e+01 4.09730000e+00 1.87740000e+00 1.05060000e+00 6.66600000e-01 3.38370000e-01 2.07590000e-01 9.27720000e-02] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.80470000e+04 2.67150000e+04 1.77360000e+04 1.73630000e+04 1.60570000e+04 1.57170000e+04 1.20970000e+04 3.69530000e+03 1.55210000e+03 7.80700000e+02 4.41740000e+02 1.77860000e+02 9.08310000e+01 8.85440000e+01 8.72690000e+01 2.38710000e+01 9.60150000e+00 2.75780000e+00 1.18780000e+00 6.37710000e-01 3.92890000e-01 1.91780000e-01 1.14640000e-01 4.91430000e-02] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.95010000e+03 4.99250000e+03 2.38130000e+03 1.33130000e+03 8.28510000e+02 5.54430000e+02 2.87240000e+02 1.74760000e+02 1.71460000e+02 1.69610000e+02 6.32820000e+01 3.10440000e+01 1.14070000e+01 5.70010000e+00 3.38480000e+00 2.24180000e+00 1.20370000e+00 7.61820000e-01 3.50280000e-01] all other = [ 2.14300000e+06 1.88330000e+06 1.89460000e+06 9.97720000e+05 5.45010000e+05 2.41920000e+05 2.37590000e+05 2.21510000e+05 2.18440000e+05 2.14510000e+05 1.53950000e+05 1.51130000e+05 1.13760000e+05 1.04650000e+05 1.02690000e+05 8.85460000e+04 8.68830000e+04 6.69300000e+04 4.30500000e+04 2.11890000e+04 1.21120000e+04 4.61470000e+03 4.52100000e+03 4.30740000e+03 2.94410000e+03 2.88380000e+03 2.67290000e+03 2.61810000e+03 2.04350000e+03 7.03380000e+02 3.26850000e+02 1.79500000e+02 1.09700000e+02 5.02410000e+01 2.83020000e+01 2.76930000e+01 2.73530000e+01 9.05970000e+00 4.16170000e+00 1.42270000e+00 6.83500000e-01 3.95580000e-01 2.57300000e-01 1.34970000e-01 8.42960000e-02 3.81940000e-02] [Rn.binding] K = 98.8554 L1 = 18.0575 M5 = 2.8888 M4 = 3.0214 M1 = 4.4518 L3 = 14.6183 M3 = 3.5177 M2 = 4.1485 L2 = 17.3974 [Rh] JL1 = 1.12321551263 JL3 = 3.37396580991 JL2 = 1.35458307652 energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 3.00140000e+00 3.02540000e+00 3.14850000e+00 3.17370000e+00 3.38800000e+00 3.41520000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 2.31690000e+01 2.33550000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 9.33870000e+04 4.88070000e+04 2.83200000e+04 1.19440000e+04 1.19310000e+04 1.17180000e+04 1.07020000e+04 1.05080000e+04 9.03710000e+03 8.87060000e+03 6.09150000e+03 3.50130000e+03 2.18500000e+03 1.00420000e+03 5.35300000e+02 1.61930000e+02 6.67870000e+01 4.20120000e+01 4.09610000e+01 1.83220000e+01 7.13090000e+00 3.39130000e+00 1.83790000e+00 6.94910000e-01 3.26410000e-01 8.35050000e-02 3.23410000e-02 8.93750000e-03 3.75910000e-03 1.98660000e-03 1.21040000e-03 5.82760000e-04 3.45480000e-04 1.47610000e-04] M = [ 9.51890000e+05 3.70130000e+05 1.83360000e+05 6.59120000e+04 6.58340000e+04 6.45010000e+04 5.82210000e+04 5.70390000e+04 4.81880000e+04 4.72040000e+04 3.12910000e+04 1.73890000e+04 1.06970000e+04 4.91920000e+03 2.67240000e+03 8.69040000e+02 3.87530000e+02 2.55610000e+02 2.49890000e+02 1.22440000e+02 5.35750000e+01 2.80820000e+01 1.65170000e+01 7.11480000e+00 3.69090000e+00 1.11820000e+00 4.81960000e-01 1.51030000e-01 6.86330000e-02 3.83240000e-02 2.43650000e-02 1.25010000e-02 7.76660000e-03 3.57160000e-03] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.79110000e+05 1.60900000e+05 2.42770000e+05 2.07070000e+05 2.40460000e+05 1.63360000e+05 9.18740000e+04 5.71020000e+04 2.65060000e+04 1.44540000e+04 4.71040000e+03 2.09990000e+03 1.38460000e+03 1.35360000e+03 6.62820000e+02 2.89820000e+02 1.51800000e+02 8.92300000e+01 3.83950000e+01 1.99010000e+01 6.02030000e+00 2.59240000e+00 8.11830000e-01 3.68750000e-01 2.05860000e-01 1.30880000e-01 6.71650000e-02 4.17390000e-02 1.92050000e-02] M5 = [ 3.55370000e+05 1.11440000e+05 4.59280000e+04 1.21290000e+04 1.21100000e+04 1.17870000e+04 1.02900000e+04 1.00130000e+04 7.99780000e+03 7.78040000e+03 4.47590000e+03 2.00720000e+03 1.02340000e+03 3.42490000e+02 1.43010000e+02 2.78570000e+01 8.42500000e+00 4.52750000e+00 4.37690000e+00 1.50210000e+00 4.34270000e-01 1.65040000e-01 7.48230000e-02 2.15370000e-02 8.26270000e-03 1.49500000e-03 4.66420000e-04 9.98020000e-05 3.64420000e-05 1.75760000e-05 1.01410000e-05 4.69760000e-06 2.64630000e-06 1.11120000e-06] M4 = [ 2.43820000e+05 7.70380000e+04 3.19190000e+04 8.49710000e+03 8.48400000e+03 8.25880000e+03 7.21600000e+03 7.02310000e+03 5.61740000e+03 5.46570000e+03 3.15530000e+03 1.42240000e+03 7.28640000e+02 2.45840000e+02 1.03370000e+02 2.04310000e+01 6.25550000e+00 3.38530000e+00 3.27400000e+00 1.13850000e+00 3.34700000e-01 1.29010000e-01 5.92070000e-02 1.73880000e-02 6.77420000e-03 1.26290000e-03 3.98150000e-04 8.43690000e-05 2.99590000e-05 1.40850000e-05 7.84540000e-06 3.26850000e-06 1.82060000e-06 7.15000000e-07] L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 8.49440000e+04 7.19770000e+04 7.06830000e+04 4.72570000e+04 2.56940000e+04 1.53860000e+04 6.68900000e+03 3.42860000e+03 9.76140000e+02 3.88680000e+02 2.40740000e+02 2.34540000e+02 1.02560000e+02 3.90690000e+01 1.83250000e+01 9.83460000e+00 3.67090000e+00 1.71030000e+00 4.32740000e-01 1.66700000e-01 4.56900000e-02 1.91510000e-02 1.01010000e-02 6.14760000e-03 2.95180000e-03 1.75310000e-03 7.48940000e-04] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.79110000e+05 1.60900000e+05 1.57830000e+05 1.35090000e+05 1.32420000e+05 8.63300000e+04 4.62670000e+04 2.74120000e+04 1.16730000e+04 5.89340000e+03 1.63030000e+03 6.35080000e+02 3.88670000e+02 3.78400000e+02 1.61890000e+02 6.00040000e+01 2.74980000e+01 1.44600000e+01 5.21360000e+00 2.36020000e+00 5.65250000e-01 2.09610000e-01 5.49610000e-02 2.26230000e-02 1.18930000e-02 7.27180000e-03 3.56300000e-03 2.15400000e-03 9.58130000e-04] M3 = [ 1.92810000e+05 9.66120000e+04 5.47230000e+04 2.24200000e+04 2.23960000e+04 2.19850000e+04 2.00270000e+04 1.96540000e+04 1.68260000e+04 1.65080000e+04 1.12200000e+04 6.35770000e+03 3.92090000e+03 1.76850000e+03 9.28610000e+02 2.72850000e+02 1.10050000e+02 6.83880000e+01 6.66330000e+01 2.91530000e+01 1.10350000e+01 5.12570000e+00 2.72130000e+00 9.93660000e-01 4.53450000e-01 1.09830000e-01 4.09720000e-02 1.07870000e-02 4.45080000e-03 2.34320000e-03 1.43450000e-03 7.02530000e-04 4.25580000e-04 1.89680000e-04] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.73620000e+04 2.97700000e+04 1.99130000e+04 1.43040000e+04 8.14370000e+03 5.13200000e+03 2.10400000e+03 1.07620000e+03 7.55200000e+02 7.40700000e+02 3.98380000e+02 1.90740000e+02 1.05980000e+02 6.49350000e+01 2.95110000e+01 1.58300000e+01 5.02230000e+00 2.21610000e+00 7.11180000e-01 3.26970000e-01 1.83870000e-01 1.17460000e-01 6.06500000e-02 3.78320000e-02 1.74980000e-02] JK = 6.31247773952 M1 = [ 6.64980000e+04 3.62300000e+04 2.24700000e+04 1.09220000e+04 1.09130000e+04 1.07530000e+04 9.98670000e+03 9.83970000e+03 8.70920000e+03 8.57960000e+03 6.34870000e+03 4.10050000e+03 2.83880000e+03 1.55820000e+03 9.62130000e+02 3.85970000e+02 1.96010000e+02 1.37300000e+02 1.34650000e+02 7.23270000e+01 3.46410000e+01 1.92710000e+01 1.18240000e+01 5.38730000e+00 2.89600000e+00 9.22110000e-01 4.07790000e-01 1.31120000e-01 6.03570000e-02 3.39620000e-02 2.17020000e-02 1.12080000e-02 6.99100000e-03 3.23250000e-03] all other = [ 1.01010000e+05 4.32760000e+04 2.29530000e+04 8.99190000e+03 8.98210000e+03 8.81370000e+03 8.01560000e+03 7.86450000e+03 6.72400000e+03 6.59620000e+03 4.49340000e+03 2.58490000e+03 1.63250000e+03 7.79140000e+02 4.33890000e+02 1.46400000e+02 6.66930000e+01 4.44130000e+01 4.34410000e+01 2.15840000e+01 9.57730000e+00 5.06470000e+00 2.99770000e+00 1.30220000e+00 6.79150000e-01 2.07320000e-01 8.97130000e-02 2.82380000e-02 1.28580000e-02 7.18860000e-03 4.57380000e-03 2.34900000e-03 1.46040000e-03 6.72450000e-04] total = [ 1.05290000e+06 4.13410000e+05 2.06310000e+05 7.49040000e+04 7.48170000e+04 2.52430000e+05 2.27140000e+05 3.07680000e+05 2.61980000e+05 2.94260000e+05 1.99140000e+05 1.11850000e+05 6.94310000e+04 3.22040000e+04 1.75600000e+04 5.72580000e+03 2.55410000e+03 1.68460000e+03 1.06340000e+04 5.56640000e+03 2.54960000e+03 1.37530000e+03 8.23550000e+02 3.61990000e+02 1.89770000e+02 5.81350000e+01 2.51550000e+01 7.90840000e+00 3.60050000e+00 2.01450000e+00 1.28340000e+00 6.61260000e-01 4.12380000e-01 1.90920000e-01] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 8.98710000e+03 4.75950000e+03 2.19670000e+03 1.19030000e+03 7.14800000e+02 3.15180000e+02 1.65500000e+02 5.07890000e+01 2.19910000e+01 6.91730000e+00 3.15030000e+00 1.76310000e+00 1.12360000e+00 5.79240000e-01 3.61410000e-01 1.67470000e-01] [Rh.binding] K = 23.1922 L1 = 3.3914 M5 = 0.3179 M4 = 0.323 M1 = 0.6161 L3 = 3.0044 M3 = 0.4946 M2 = 0.5203 L2 = 3.1516 [Be] energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0.] L = [ 3.18420000e+02 9.61080000e+01 4.02290000e+01 1.14780000e+01 4.62360000e+00 2.26450000e+00 1.25770000e+00 4.92890000e-01 2.36880000e-01 6.18580000e-02 2.36860000e-02 6.07510000e-03 2.30460000e-03 1.08520000e-03 5.86390000e-04 2.22240000e-04 1.04980000e-04 2.71870000e-05 1.06100000e-05 2.95000000e-06 1.25210000e-06 6.71900000e-07 4.17510000e-07 2.10720000e-07 1.31490000e-07 6.30900000e-08] L1 = [ 3.18420000e+02 9.61080000e+01 4.02290000e+01 1.14780000e+01 4.62360000e+00 2.26450000e+00 1.25770000e+00 4.92890000e-01 2.36880000e-01 6.18580000e-02 2.36860000e-02 6.07510000e-03 2.30460000e-03 1.08520000e-03 5.86390000e-04 2.22240000e-04 1.04980000e-04 2.71870000e-05 1.06100000e-05 2.95000000e-06 1.25210000e-06 6.71900000e-07 4.17510000e-07 2.10720000e-07 1.31490000e-07 6.30900000e-08] all other = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0.] total = [ 9.03140000e+03 2.68100000e+03 1.11080000e+03 3.12740000e+02 1.25210000e+02 6.10680000e+01 3.38070000e+01 1.31990000e+01 6.32890000e+00 1.64720000e+00 6.29610000e-01 1.61150000e-01 6.10570000e-02 2.87240000e-02 1.55470000e-02 5.89150000e-03 2.78270000e-03 7.20980000e-04 2.81530000e-04 7.83310000e-05 3.32810000e-05 1.78610000e-05 1.10950000e-05 5.59010000e-06 3.47620000e-06 1.64510000e-06] K = [ 8.71300000e+03 2.58490000e+03 1.07060000e+03 3.01260000e+02 1.20580000e+02 5.88030000e+01 3.25500000e+01 1.27070000e+01 6.09200000e+00 1.58540000e+00 6.05920000e-01 1.55080000e-01 5.87520000e-02 2.76390000e-02 1.49600000e-02 5.66930000e-03 2.67770000e-03 6.93800000e-04 2.70920000e-04 7.53810000e-05 3.20290000e-05 1.71890000e-05 1.06780000e-05 5.37940000e-06 3.34470000e-06 1.58200000e-06] [Be.binding] K = 0.1184 L1 = 0.0082 [Ba] JL1 = 1.13194293577 JL3 = 2.84826287149 JL2 = 1.33527497002 energy = [ 1.00000000e+00 1.05590000e+00 1.06430000e+00 1.13130000e+00 1.14030000e+00 1.27240000e+00 1.28260000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 5.23790000e+00 5.27990000e+00 5.62480000e+00 5.66990000e+00 5.95540000e+00 6.00000000e+00 6.00310000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 3.74150000e+01 3.77140000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 5.77969018933 M5 = [ 9.43490000e+05 8.31290000e+05 8.15780000e+05 7.04630000e+05 6.91060000e+05 5.30610000e+05 5.20180000e+05 3.43980000e+05 1.53300000e+05 4.48590000e+04 1.77590000e+04 8.39120000e+03 7.15500000e+03 6.96150000e+03 5.59370000e+03 5.44070000e+03 4.58300000e+03 4.46490000e+03 4.45670000e+03 1.59870000e+03 7.02480000e+02 1.49130000e+02 4.77620000e+01 9.18600000e+00 3.67760000e+00 3.55740000e+00 2.78290000e+00 1.09190000e+00 5.06970000e-01 1.51170000e-01 5.94840000e-02 1.12740000e-02 3.60670000e-03 7.89280000e-04 2.90880000e-04 1.41540000e-04 8.17240000e-05 3.78120000e-05 2.16310000e-05 9.27920000e-06] M4 = [ 6.44530000e+05 5.69120000e+05 5.58680000e+05 4.83730000e+05 4.74560000e+05 3.65350000e+05 3.58280000e+05 2.38620000e+05 1.07210000e+05 3.17530000e+04 1.26800000e+04 6.03500000e+03 5.15350000e+03 5.01540000e+03 4.03870000e+03 3.92940000e+03 3.31560000e+03 3.23100000e+03 3.22510000e+03 1.16910000e+03 5.18270000e+02 1.12050000e+02 3.64280000e+01 7.17880000e+00 2.91770000e+00 2.82390000e+00 2.21850000e+00 8.85270000e-01 4.17090000e-01 1.27380000e-01 5.10540000e-02 9.96810000e-03 3.23290000e-03 7.05830000e-04 2.56180000e-04 1.21740000e-04 6.82250000e-05 2.89440000e-05 1.58570000e-05 6.12910000e-06] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 6.20800000e+04 5.16960000e+04 3.39950000e+04 1.77790000e+04 1.07460000e+04 7.13790000e+03 6.54100000e+03 6.44360000e+03 5.71760000e+03 5.63160000e+03 5.12600000e+03 5.05290000e+03 5.04790000e+03 2.87250000e+03 1.82450000e+03 7.71870000e+02 4.07300000e+02 1.58810000e+02 9.31870000e+01 9.13870000e+01 7.90920000e+01 4.53270000e+01 2.84790000e+01 1.34540000e+01 7.42920000e+00 2.47590000e+00 1.12760000e+00 3.76290000e-01 1.77020000e-01 1.00930000e-01 6.50530000e-02 3.38900000e-02 2.11940000e-02 9.76460000e-03] M3 = [ 0.00000000e+00 0.00000000e+00 2.46370000e+05 2.32700000e+05 2.31070000e+05 2.01580000e+05 1.99270000e+05 1.57490000e+05 9.86820000e+04 4.52340000e+04 2.43180000e+04 1.45380000e+04 1.30160000e+04 1.27700000e+04 1.09620000e+04 1.07510000e+04 9.53010000e+03 9.35640000e+03 9.34440000e+03 4.50580000e+03 2.48560000e+03 7.95360000e+02 3.39410000e+02 9.68890000e+01 4.78280000e+01 4.66120000e+01 3.85220000e+01 1.85420000e+01 1.01180000e+01 3.84660000e+00 1.80650000e+00 4.58250000e-01 1.75730000e-01 4.77850000e-02 2.00010000e-02 1.06080000e-02 6.50800000e-03 3.19270000e-03 1.93030000e-03 8.51710000e-04] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 9.84530000e+04 8.98620000e+04 8.90960000e+04 7.29550000e+04 4.83640000e+04 2.34390000e+04 1.30560000e+04 7.99910000e+03 7.19530000e+03 7.06480000e+03 6.10370000e+03 5.99150000e+03 5.34040000e+03 5.24730000e+03 5.24080000e+03 2.60170000e+03 1.46820000e+03 4.89830000e+02 2.15640000e+02 6.45140000e+01 3.27340000e+01 3.19340000e+01 2.65930000e+01 1.31890000e+01 7.38470000e+00 2.93130000e+00 1.42620000e+00 3.86740000e-01 1.55380000e-01 4.47250000e-02 1.92880000e-02 1.03860000e-02 6.40350000e-03 3.12950000e-03 1.87160000e-03 8.09950000e-04] total = [ 1.94610000e+06 1.72350000e+06 1.93900000e+06 1.70380000e+06 1.77350000e+06 1.41130000e+06 1.44920000e+06 1.02420000e+06 5.27020000e+05 1.96810000e+05 9.55050000e+04 5.38910000e+04 4.77800000e+04 1.36090000e+05 1.16740000e+05 1.55880000e+05 1.38090000e+05 1.56310000e+05 1.56080000e+05 7.52180000e+04 4.17450000e+04 1.40220000e+04 6.36830000e+03 2.05730000e+03 1.10390000e+03 6.38020000e+03 5.46330000e+03 3.03740000e+03 1.85410000e+03 8.40540000e+02 4.50250000e+02 1.42820000e+02 6.31740000e+01 2.04240000e+01 9.45940000e+00 5.35190000e+00 3.43460000e+00 1.78320000e+00 1.11450000e+00 5.14380000e-01] JM2 = 1.04090855734 JM3 = 1.12503626342 K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.30100000e+03 4.54960000e+03 2.55290000e+03 1.56640000e+03 7.14650000e+02 3.84100000e+02 1.22300000e+02 5.41760000e+01 1.75370000e+01 8.12820000e+00 4.60170000e+00 2.95480000e+00 1.53570000e+00 9.60650000e-01 4.43980000e-01] JM1 = 1.026854673 M = [ 1.58800000e+06 1.40040000e+06 1.62080000e+06 1.42110000e+06 1.49510000e+06 1.18740000e+06 1.22890000e+06 8.64750000e+05 4.41540000e+05 1.63060000e+05 7.85590000e+04 4.41010000e+04 3.90610000e+04 3.82550000e+04 3.24160000e+04 3.17440000e+04 2.78950000e+04 2.73530000e+04 2.73150000e+04 1.27480000e+04 6.99900000e+03 2.31820000e+03 1.04660000e+03 3.36570000e+02 1.80340000e+02 1.76310000e+02 1.49210000e+02 7.90360000e+01 4.69050000e+01 2.05100000e+01 1.07720000e+01 3.34210000e+00 1.46560000e+00 4.70290000e-01 2.16850000e-01 1.22190000e-01 7.81150000e-02 4.02790000e-02 2.50330000e-02 1.14420000e-02] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 8.92900000e+04 7.70270000e+04 1.16990000e+05 1.03880000e+05 1.22760000e+05 1.22580000e+05 5.95000000e+04 3.30850000e+04 1.11380000e+04 5.06170000e+03 1.63550000e+03 8.77460000e+02 8.57880000e+02 7.26260000e+02 3.85040000e+02 2.28640000e+02 1.00030000e+02 5.25420000e+01 1.62970000e+01 7.14410000e+00 2.29140000e+00 1.05650000e+00 5.95470000e-01 3.80770000e-01 1.96460000e-01 1.22160000e-01 5.58960000e-02] L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.16290000e+04 3.74890000e+04 3.67220000e+04 3.66700000e+04 1.73060000e+04 9.24760000e+03 2.85730000e+03 1.19950000e+03 3.39740000e+02 1.68170000e+02 1.63930000e+02 1.35690000e+02 6.59350000e+01 3.63870000e+01 1.41690000e+01 6.80960000e+00 1.81450000e+00 7.22370000e-01 2.06050000e-01 8.84870000e-02 4.74260000e-02 2.91780000e-02 1.42310000e-02 8.50100000e-03 3.67960000e-03] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 8.92900000e+04 7.70270000e+04 7.53610000e+04 6.63890000e+04 6.51480000e+04 6.50620000e+04 2.93990000e+04 1.54070000e+04 4.54750000e+03 1.85220000e+03 5.00630000e+02 2.41180000e+02 2.34850000e+02 1.92970000e+02 9.10390000e+01 4.89820000e+01 1.82780000e+01 8.48280000e+00 2.11580000e+00 8.04170000e-01 2.16690000e-01 9.04420000e-02 4.78660000e-02 2.93390000e-02 1.43790000e-02 8.68200000e-03 3.82990000e-03] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.08870000e+04 2.08460000e+04 1.27950000e+04 8.43030000e+03 3.73330000e+03 2.01010000e+03 7.95100000e+02 4.68110000e+02 4.59100000e+02 3.97600000e+02 2.28060000e+02 1.43270000e+02 6.75800000e+01 3.72500000e+01 1.23670000e+01 5.61760000e+00 1.86870000e+00 8.77600000e-01 5.00170000e-01 3.22250000e-01 1.67850000e-01 1.04980000e-01 4.83870000e-02] all other = [ 3.58090000e+05 3.23110000e+05 3.18210000e+05 2.82780000e+05 2.78410000e+05 2.23860000e+05 2.20270000e+05 1.59410000e+05 8.54790000e+04 3.37430000e+04 1.69460000e+04 9.78970000e+03 8.71910000e+03 8.54710000e+03 7.29360000e+03 7.14880000e+03 6.31600000e+03 6.19810000e+03 6.19000000e+03 2.96980000e+03 1.66050000e+03 5.66010000e+02 2.60000000e+02 8.52480000e+01 4.60780000e+01 4.50610000e+01 3.82150000e+01 2.03920000e+01 1.21680000e+01 5.35970000e+00 2.82810000e+00 8.83100000e-01 3.88680000e-01 1.25200000e-01 5.78490000e-02 3.26380000e-02 2.08820000e-02 1.07780000e-02 6.70170000e-03 3.06630000e-03] [Ba.binding] K = 37.4522 L1 = 5.9614 M5 = 0.7903 M4 = 0.8066 M1 = 1.2737 L3 = 5.2432 M3 = 1.0569 M2 = 1.1324 L2 = 5.6305 [Bi] JL1 = 1.13253565441 JL3 = 2.4387254902 JL2 = 1.36896179329 energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 2.58300000e+00 2.60370000e+00 2.69520000e+00 2.71670000e+00 3.00000000e+00 3.16360000e+00 3.18890000e+00 3.68980000e+00 3.71930000e+00 3.97300000e+00 4.00000000e+00 4.00480000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.34110000e+01 1.35190000e+01 1.50000000e+01 1.57530000e+01 1.58790000e+01 1.63700000e+01 1.65020000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 9.08090000e+01 9.15360000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 4.58934108527 M5 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.72290000e+05 3.98110000e+05 3.90320000e+05 3.04110000e+05 2.63220000e+05 2.57480000e+05 1.70810000e+05 1.66980000e+05 1.39270000e+05 1.36710000e+05 1.36270000e+05 7.14060000e+04 4.10940000e+04 1.65730000e+04 7.96420000e+03 2.93160000e+03 2.85140000e+03 1.98270000e+03 1.66790000e+03 1.62150000e+03 1.45510000e+03 1.41450000e+03 7.08650000e+02 1.57960000e+02 5.28220000e+01 2.22800000e+01 1.09340000e+01 3.53510000e+00 2.14840000e+00 2.08210000e+00 1.47160000e+00 3.04540000e-01 1.02330000e-01 2.36000000e-02 8.97630000e-03 4.43600000e-03 2.58140000e-03 1.16670000e-03 6.74390000e-04 2.71470000e-04] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.50030000e+05 2.17160000e+05 1.89390000e+05 1.85420000e+05 1.24320000e+05 1.21590000e+05 1.01060000e+05 9.94070000e+04 9.90840000e+04 5.28450000e+04 3.08320000e+04 1.26570000e+04 6.17640000e+03 2.32370000e+03 2.26150000e+03 1.58470000e+03 1.33850000e+03 1.30210000e+03 1.17130000e+03 1.13920000e+03 5.79800000e+02 1.34040000e+02 4.61230000e+01 1.99190000e+01 9.97470000e+00 3.33240000e+00 2.05500000e+00 1.99340000e+00 1.42320000e+00 3.07590000e-01 1.05910000e-01 2.48450000e-02 9.41060000e-03 4.58030000e-03 2.61330000e-03 1.13960000e-03 6.34450000e-04 2.46360000e-04] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.88100000e+04 1.87230000e+04 1.37690000e+04 1.04620000e+04 6.61990000e+03 4.51380000e+03 2.64560000e+03 2.60650000e+03 2.14090000e+03 1.94800000e+03 1.91820000e+03 1.80830000e+03 1.78060000e+03 1.21830000e+03 5.27780000e+02 2.83270000e+02 1.72080000e+02 1.13380000e+02 5.77000000e+01 4.25870000e+01 4.17760000e+01 3.37230000e+01 1.24220000e+01 6.05360000e+00 2.20670000e+00 1.09680000e+00 6.48730000e-01 4.28390000e-01 2.29160000e-01 1.44730000e-01 6.64630000e-02] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 9.48180000e+04 7.83930000e+04 7.73660000e+04 6.88520000e+04 6.80010000e+04 6.78510000e+04 4.52920000e+04 3.17630000e+04 1.74130000e+04 1.05640000e+04 5.25900000e+03 5.15720000e+03 3.98220000e+03 3.52090000e+03 3.45070000e+03 3.19370000e+03 3.12940000e+03 1.89930000e+03 6.29100000e+02 2.76380000e+02 1.43240000e+02 8.28090000e+01 3.43080000e+01 2.31540000e+01 2.25860000e+01 1.71420000e+01 4.80810000e+00 1.95870000e+00 5.69650000e-01 2.46810000e-01 1.32990000e-01 8.21460000e-02 4.02480000e-02 2.40570000e-02 1.03620000e-02] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.90220000e+04 2.78010000e+04 2.76350000e+04 2.76050000e+04 2.04520000e+04 1.55500000e+04 9.39480000e+03 6.08070000e+03 3.27190000e+03 3.21480000e+03 2.54920000e+03 2.28190000e+03 2.24070000e+03 2.08920000e+03 2.05100000e+03 1.30460000e+03 4.76160000e+02 2.24120000e+02 1.22620000e+02 7.41520000e+01 3.30320000e+01 2.30290000e+01 2.25110000e+01 1.74790000e+01 5.44900000e+00 2.39010000e+00 7.65790000e-01 3.52030000e-01 1.97260000e-01 1.25210000e-01 6.35440000e-02 3.90050000e-02 1.74080000e-02] total = [ 1.88370000e+06 8.52140000e+05 4.63610000e+05 2.63490000e+05 6.31090000e+05 6.37510000e+05 8.75480000e+05 7.08900000e+05 6.18700000e+05 7.00790000e+05 4.89680000e+05 5.08960000e+05 4.34600000e+05 4.46620000e+05 4.45320000e+05 2.60130000e+05 1.65880000e+05 8.04080000e+04 4.54210000e+04 2.12160000e+04 5.17400000e+04 3.90470000e+04 3.42610000e+04 4.69020000e+04 4.35430000e+04 4.93140000e+04 3.02130000e+04 1.04200000e+04 4.83140000e+03 2.64240000e+03 1.60820000e+03 7.31160000e+02 5.16000000e+02 2.36810000e+03 1.88150000e+03 6.52310000e+02 3.05070000e+02 1.05870000e+02 5.13160000e+01 2.99430000e+01 1.96240000e+01 1.04290000e+01 6.57660000e+00 3.02490000e+00] JM2 = 1.03937265153 JM3 = 1.1326814288 K = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 1863.3 1485.8 522.63 245.92 85.826 41.738 24.416 16.035 8.549 5.4027 2.4921] JM1 = 1.0276576162 M = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.72290000e+05 3.98110000e+05 6.40350000e+05 5.21270000e+05 4.52600000e+05 5.37720000e+05 3.73530000e+05 3.94960000e+05 3.36990000e+05 3.50570000e+05 3.49530000e+05 2.03760000e+05 1.29700000e+05 6.26570000e+04 3.52990000e+04 1.64320000e+04 1.60920000e+04 1.22400000e+04 1.07570000e+04 1.05330000e+04 9.71760000e+03 9.51470000e+03 5.71070000e+03 1.92500000e+03 8.82720000e+02 4.80140000e+02 2.91250000e+02 1.31910000e+02 9.29740000e+01 9.09480000e+01 7.12390000e+01 2.32910000e+01 1.06110000e+01 3.59060000e+00 1.71400000e+00 9.88000000e-01 6.40940000e-01 3.35260000e-01 2.09100000e-01 9.47500000e-02] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.09620000e+04 2.32230000e+04 2.03460000e+04 3.32760000e+04 3.09680000e+04 3.70010000e+04 2.28070000e+04 7.91490000e+03 3.67990000e+03 2.01510000e+03 1.22720000e+03 5.58290000e+02 3.94070000e+02 3.85520000e+02 3.02210000e+02 9.90700000e+01 4.51880000e+01 1.53140000e+01 7.31940000e+00 4.22420000e+00 2.74340000e+00 1.43770000e+00 8.98100000e-01 4.07780000e-01] JM4 = 1.37328041913 JM5 = 2.39511935937 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.33550000e+04 1.25930000e+04 1.23180000e+04 7.53780000e+03 2.53280000e+03 1.13220000e+03 5.97780000e+02 3.52200000e+02 1.51330000e+02 1.04040000e+02 1.01610000e+02 7.81910000e+01 2.35390000e+01 1.01310000e+01 3.18200000e+00 1.44830000e+00 8.06920000e-01 5.10340000e-01 2.57960000e-01 1.57850000e-01 7.02900000e-02] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.09620000e+04 2.32230000e+04 2.03460000e+04 1.99220000e+04 1.83750000e+04 1.79880000e+04 1.04660000e+04 3.16920000e+03 1.32210000e+03 6.61090000e+02 3.72380000e+02 1.48910000e+02 9.91450000e+01 9.66360000e+01 7.27030000e+01 1.97240000e+01 7.89300000e+00 2.25410000e+00 9.68160000e-01 5.19190000e-01 3.19760000e-01 1.56170000e-01 9.34670000e-02 4.01900000e-02] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 6.69520000e+03 4.80330000e+03 2.21290000e+03 1.22560000e+03 7.56220000e+02 5.02630000e+02 2.58050000e+02 1.90890000e+02 1.87270000e+02 1.51310000e+02 5.58070000e+01 2.71640000e+01 9.87820000e+00 4.90290000e+00 2.89810000e+00 1.91330000e+00 1.02360000e+00 6.46780000e-01 2.97300000e-01] all other = [ 1.88370000e+06 8.52140000e+05 4.63610000e+05 2.63490000e+05 2.58800000e+05 2.39410000e+05 2.35130000e+05 1.87630000e+05 1.66090000e+05 1.63060000e+05 1.16160000e+05 1.14000000e+05 9.76100000e+04 9.60590000e+04 9.57870000e+04 5.63690000e+04 3.61830000e+04 1.77500000e+04 1.01230000e+04 4.78440000e+03 4.68720000e+03 3.58430000e+03 3.15720000e+03 3.09260000e+03 2.85740000e+03 2.79880000e+03 1.69470000e+03 5.80510000e+02 2.68800000e+02 1.47200000e+02 8.97710000e+01 4.09620000e+01 2.89540000e+01 2.83290000e+01 2.22310000e+01 7.32290000e+00 3.35030000e+00 1.13890000e+00 5.45060000e-01 3.14650000e-01 2.04320000e-01 1.06980000e-01 6.67650000e-02 3.02640000e-02] [Bi.binding] K = 90.8995 L1 = 16.3869 M5 = 2.5856 M4 = 2.6979 M1 = 3.977 L3 = 13.4246 M3 = 3.1667 M2 = 3.6935 L2 = 15.7685 [Bk] JL1 = 1.13200031551 JL3 = 2.29221159477 JL2 = 1.40335612181 energy = [ 1.00000000e+00 1.23530000e+00 1.24520000e+00 1.50000000e+00 1.55340000e+00 1.56580000e+00 1.73120000e+00 1.74510000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 4.12930000e+00 4.16230000e+00 4.36210000e+00 4.39700000e+00 4.96310000e+00 5.00000000e+00 5.00280000e+00 6.00000000e+00 6.14480000e+00 6.19400000e+00 6.53050000e+00 6.58280000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 1.94400000e+01 1.95960000e+01 2.00000000e+01 2.44830000e+01 2.46790000e+01 2.53230000e+01 2.55250000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.32370000e+02 1.33430000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 3.9245667686 M5 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.21980000e+05 2.05840000e+05 2.01540000e+05 1.48040000e+05 1.45080000e+05 1.44860000e+05 8.56230000e+04 7.95750000e+04 7.78260000e+04 6.69170000e+04 6.53630000e+04 3.62740000e+04 1.80890000e+04 4.80630000e+03 1.98400000e+03 1.92990000e+03 1.79760000e+03 8.82330000e+02 8.57630000e+02 7.82490000e+02 7.60540000e+02 4.25390000e+02 1.48180000e+02 6.44380000e+01 3.23970000e+01 1.08500000e+01 4.63790000e+00 1.59890000e+00 1.55150000e+00 9.98310000e-01 3.44400000e-01 8.14980000e-02 3.11710000e-02 1.54590000e-02 9.00070000e-03 4.10950000e-03 2.34690000e-03 9.53070000e-04] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.40580000e+05 1.09380000e+05 1.07380000e+05 1.07230000e+05 6.51340000e+04 6.07900000e+04 5.93990000e+04 5.08770000e+04 4.97790000e+04 2.81360000e+04 1.43360000e+04 3.95980000e+03 1.67650000e+03 1.63220000e+03 1.52380000e+03 7.64280000e+02 7.43560000e+02 6.80300000e+02 6.61770000e+02 3.76870000e+02 1.35800000e+02 6.07190000e+01 3.12510000e+01 1.08720000e+01 4.78600000e+00 1.71010000e+00 1.66100000e+00 1.08380000e+00 3.85300000e-01 9.37020000e-02 3.60020000e-02 1.77480000e-02 1.02220000e-02 4.57440000e-03 2.55180000e-03 9.97370000e-04] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 9.63470000e+03 7.45760000e+03 5.34570000e+03 2.77420000e+03 1.74820000e+03 1.72270000e+03 1.65880000e+03 1.13400000e+03 1.11670000e+03 1.06260000e+03 1.04640000e+03 7.62510000e+02 4.24950000e+02 2.65300000e+02 1.78720000e+02 9.41250000e+01 5.64860000e+01 2.93390000e+01 2.87930000e+01 2.18320000e+01 1.10110000e+01 4.21040000e+00 2.16090000e+00 1.30690000e+00 8.76550000e-01 4.77570000e-01 3.04130000e-01 1.39980000e-01] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 6.17500000e+04 6.14610000e+04 4.57140000e+04 4.38080000e+04 4.31690000e+04 3.90070000e+04 3.84010000e+04 2.63630000e+04 1.66450000e+04 6.73670000e+03 3.61530000e+03 3.54510000e+03 3.37130000e+03 2.02360000e+03 1.98260000e+03 1.85530000e+03 1.81740000e+03 1.19000000e+03 5.45490000e+02 2.91780000e+02 1.72970000e+02 7.44210000e+01 3.82260000e+01 1.63910000e+01 1.59990000e+01 1.12200000e+01 4.70120000e+00 1.41050000e+00 6.19650000e-01 3.36010000e-01 2.07940000e-01 1.01770000e-01 6.06120000e-02 2.56670000e-02] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.52700000e+04 1.44590000e+04 1.43260000e+04 1.14340000e+04 8.23860000e+03 4.02950000e+03 2.40230000e+03 2.36300000e+03 2.26510000e+03 1.46650000e+03 1.44110000e+03 1.36150000e+03 1.33770000e+03 9.27990000e+02 4.70240000e+02 2.71590000e+02 1.71300000e+02 8.12810000e+01 4.50350000e+01 2.12320000e+01 2.07810000e+01 1.51570000e+01 6.98020000e+00 2.37380000e+00 1.12980000e+00 6.47900000e-01 4.18020000e-01 2.16950000e-01 1.34620000e-01 6.11880000e-02] total = [ 3.21150000e+06 2.21190000e+06 2.31840000e+06 1.61570000e+06 1.50520000e+06 1.50000000e+06 1.22010000e+06 1.22200000e+06 9.17420000e+05 3.76210000e+05 1.94260000e+05 1.80360000e+05 3.99000000e+05 3.64430000e+05 4.97770000e+05 3.74320000e+05 4.29070000e+05 4.28260000e+05 2.70680000e+05 2.54230000e+05 2.64380000e+05 2.31710000e+05 2.36800000e+05 1.46490000e+05 8.38440000e+04 2.99480000e+04 1.53690000e+04 3.52290000e+04 3.31880000e+04 1.93080000e+04 2.70960000e+04 2.53560000e+04 2.87030000e+04 1.90530000e+04 9.11770000e+03 5.09830000e+03 3.15510000e+03 1.46990000e+03 8.10000000e+02 3.82590000e+02 1.50150000e+03 1.12310000e+03 5.42870000e+02 1.96990000e+02 9.83110000e+01 5.85530000e+01 3.89300000e+01 2.10410000e+01 1.33630000e+01 6.15540000e+00] JM2 = 1.03992447784 JM3 = 1.14626522761 K = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 1127. 849.05 415.05 152.32 76.526 45.806 30.572 16.61 10.584 4.8917] JM1 = 1.02196711406 M = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.21980000e+05 2.05840000e+05 3.42120000e+05 2.57420000e+05 3.14210000e+05 3.13550000e+05 1.96470000e+05 1.84170000e+05 1.95670000e+05 1.71260000e+05 1.77500000e+05 1.09670000e+05 6.26540000e+04 2.23070000e+04 1.14260000e+04 1.11930000e+04 1.06170000e+04 6.27070000e+03 6.14150000e+03 5.74230000e+03 5.62380000e+03 3.68280000e+03 1.72470000e+03 9.53830000e+02 5.86630000e+02 2.71550000e+02 1.49170000e+02 7.02720000e+01 6.87860000e+01 5.02920000e+01 2.34220000e+01 8.17000000e+00 3.97740000e+00 2.32400000e+00 1.52170000e+00 8.04970000e-01 5.04270000e-01 2.28790000e-01] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.01730000e+04 1.89050000e+04 1.08600000e+04 1.88220000e+04 1.76170000e+04 2.11240000e+04 1.40840000e+04 6.78670000e+03 3.80750000e+03 2.36050000e+03 1.10150000e+03 6.07480000e+02 2.87080000e+02 2.81030000e+02 2.05660000e+02 9.59460000e+01 3.35440000e+01 1.63640000e+01 9.57940000e+00 6.28320000e+00 3.33270000e+00 2.09180000e+00 9.51570000e-01] JM4 = 1.36588645282 JM5 = 2.2122421823 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 8.19360000e+03 7.70820000e+03 7.60930000e+03 5.08720000e+03 2.45280000e+03 1.36430000e+03 8.35920000e+02 3.79850000e+02 2.04480000e+02 9.34060000e+01 9.13470000e+01 6.58660000e+01 2.96050000e+01 9.81010000e+00 4.60770000e+00 2.62230000e+00 1.68370000e+00 8.69410000e-01 5.38100000e-01 2.43750000e-01] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.01730000e+04 1.89050000e+04 1.08600000e+04 1.06280000e+04 9.90920000e+03 9.69500000e+03 6.11390000e+03 2.63240000e+03 1.35030000e+03 7.75990000e+02 3.19660000e+02 1.59540000e+02 6.63440000e+01 6.47090000e+01 4.48840000e+01 1.83800000e+01 5.38560000e+00 2.33880000e+00 1.26020000e+00 7.76940000e-01 3.78820000e-01 2.25230000e-01 9.55790000e-02] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.82010000e+03 2.88290000e+03 1.70150000e+03 1.09290000e+03 7.48560000e+02 4.02030000e+02 2.43460000e+02 1.27330000e+02 1.24970000e+02 9.49070000e+01 4.79610000e+01 1.83480000e+01 9.41700000e+00 5.69690000e+00 3.82250000e+00 2.08450000e+00 1.32850000e+00 6.12250000e-01] all other = [ 3.21150000e+06 2.21190000e+06 2.31840000e+06 1.61570000e+06 1.50520000e+06 1.50000000e+06 1.22010000e+06 1.22200000e+06 9.17420000e+05 3.76210000e+05 1.94260000e+05 1.80360000e+05 1.77020000e+05 1.58600000e+05 1.55650000e+05 1.16900000e+05 1.14860000e+05 1.14710000e+05 7.42120000e+04 7.00570000e+04 6.87190000e+04 6.04540000e+04 5.92950000e+04 3.68210000e+04 2.11900000e+04 7.64110000e+03 3.94300000e+03 3.86320000e+03 3.66660000e+03 2.17780000e+03 2.13340000e+03 1.99610000e+03 1.95530000e+03 1.28580000e+03 6.06310000e+02 3.36920000e+02 2.07960000e+02 9.67600000e+01 5.33520000e+01 2.52360000e+01 2.47050000e+01 1.80940000e+01 8.45660000e+00 2.96070000e+00 1.44410000e+00 8.44590000e-01 5.53580000e-01 2.93010000e-01 1.83600000e-01 8.33050000e-02] [Bk.binding] K = 132.506 L1 = 25.3479 M5 = 4.1334 M4 = 4.3664 M1 = 6.537 L3 = 19.4596 M3 = 4.968 M2 = 6.151 L2 = 24.5079 [Br] JL1 = 1.10986739179 JL3 = 4.31988164708 JL2 = 1.40705216234 energy = [ 1.00000000e+00 1.50000000e+00 1.55200000e+00 1.56440000e+00 1.60060000e+00 1.61340000e+00 1.76750000e+00 1.78170000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.34220000e+01 1.35300000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 5.19110000e+04 2.29430000e+04 2.13090000e+04 2.09410000e+04 1.99170000e+04 1.95700000e+04 1.59550000e+04 1.56690000e+04 1.20000000e+04 4.41900000e+03 2.06110000e+03 1.10980000e+03 6.58100000e+02 2.80240000e+02 1.41170000e+02 5.55010000e+01 5.40920000e+01 3.87040000e+01 1.49540000e+01 3.76920000e+00 1.38750000e+00 6.33340000e-01 3.32410000e-01 1.19850000e-01 5.45200000e-02 1.32120000e-02 4.95090000e-03 1.31150000e-03 5.38830000e-04 2.80620000e-04 1.69230000e-04 8.02860000e-05 4.72350000e-05 1.99540000e-05] M = [ 3.32000000e+05 1.25340000e+05 1.15270000e+05 1.13030000e+05 1.06830000e+05 1.04740000e+05 8.35050000e+04 8.18590000e+04 6.12440000e+04 2.16310000e+04 1.01420000e+04 5.58490000e+03 3.41160000e+03 1.55310000e+03 8.37270000e+02 3.67130000e+02 3.58970000e+02 2.68220000e+02 1.18270000e+02 3.67490000e+01 1.58660000e+01 8.22070000e+00 4.78650000e+00 2.02710000e+00 1.03720000e+00 3.06050000e-01 1.29570000e-01 3.96740000e-02 1.77770000e-02 9.84110000e-03 6.22340000e-03 3.17960000e-03 1.97530000e-03 9.14250000e-04] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.06270000e+05 3.60500000e+05 5.55350000e+05 4.48550000e+05 5.09270000e+05 3.86440000e+05 1.39590000e+05 6.57500000e+04 3.61620000e+04 2.20310000e+04 9.97370000e+03 5.35150000e+03 2.33360000e+03 2.28140000e+03 1.70170000e+03 7.47050000e+02 2.30840000e+02 9.69550000e+01 5.13350000e+01 2.98370000e+01 1.26050000e+01 6.43890000e+00 1.89660000e+00 8.01790000e-01 2.45150000e-01 1.09770000e-01 6.07450000e-02 3.84120000e-02 1.96240000e-02 1.21930000e-02 5.64430000e-03] M5 = [ 8.15780000e+04 2.23030000e+04 1.99100000e+04 1.93860000e+04 1.79580000e+04 1.74840000e+04 1.28400000e+04 1.24950000e+04 8.38740000e+03 1.96030000e+03 6.66260000e+02 2.81340000e+02 1.36900000e+02 4.26780000e+01 1.68760000e+01 4.82920000e+00 4.66650000e+00 2.99130000e+00 8.54900000e-01 1.42600000e-01 3.92160000e-02 1.44060000e-02 6.35870000e-03 1.76420000e-03 6.59450000e-04 1.15050000e-04 3.50680000e-05 7.26440000e-06 2.62350000e-06 1.27520000e-06 7.26810000e-07 3.35730000e-07 1.91220000e-07 8.30490000e-08] M4 = [ 5.58300000e+04 1.53340000e+04 1.36950000e+04 1.33360000e+04 1.23570000e+04 1.20320000e+04 8.84610000e+03 8.60920000e+03 5.78780000e+03 1.36050000e+03 4.64500000e+02 1.96900000e+02 9.61380000e+01 3.01540000e+01 1.19900000e+01 3.46020000e+00 3.34440000e+00 2.15060000e+00 6.20520000e-01 1.05210000e-01 2.95110000e-02 1.09740000e-02 4.89880000e-03 1.38170000e-03 5.23710000e-04 9.34580000e-05 2.86870000e-05 5.88400000e-06 2.04790000e-06 9.45460000e-07 5.24700000e-07 2.16430000e-07 1.16050000e-07 4.45790000e-08] L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.94490000e+05 1.53540000e+05 1.50560000e+05 1.11430000e+05 3.76030000e+04 1.65980000e+04 8.58870000e+03 4.94370000e+03 2.01990000e+03 9.89610000e+02 3.77410000e+02 3.67550000e+02 2.60620000e+02 9.85000000e+01 2.42240000e+01 8.79650000e+00 3.98140000e+00 2.07770000e+00 7.43760000e-01 3.36170000e-01 8.08800000e-02 3.01920000e-02 7.96530000e-03 3.26510000e-03 1.69700000e-03 1.02590000e-03 4.86430000e-04 2.86030000e-04 1.20820000e-04] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.06270000e+05 3.60500000e+05 3.60850000e+05 2.95010000e+05 2.88940000e+05 2.12490000e+05 7.05290000e+04 3.07630000e+04 1.57740000e+04 9.01170000e+03 3.63640000e+03 1.76390000e+03 6.63120000e+02 6.45540000e+02 4.55270000e+02 1.69320000e+02 4.05670000e+01 1.20590000e+01 6.40480000e+00 3.28750000e+00 1.14370000e+00 5.04670000e-01 1.15980000e-01 4.19590000e-02 1.07050000e-02 4.35030000e-03 2.27330000e-03 1.38120000e-03 6.77050000e-04 4.10850000e-04 1.84800000e-04] M3 = [ 1.01900000e+05 4.42220000e+04 4.10140000e+04 4.02940000e+04 3.82870000e+04 3.76070000e+04 3.05480000e+04 2.99910000e+04 2.28620000e+04 8.28800000e+03 3.82260000e+03 2.04000000e+03 1.20070000e+03 5.05050000e+02 2.51830000e+02 9.75750000e+01 9.50570000e+01 6.76440000e+01 2.57100000e+01 6.31060000e+00 2.27320000e+00 1.01850000e+00 5.25860000e-01 1.84370000e-01 8.16330000e-02 1.88850000e-02 6.85610000e-03 1.75510000e-03 7.14430000e-04 3.73480000e-04 2.27550000e-04 1.11570000e-04 6.76430000e-05 3.04410000e-05] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 6.97660000e+04 6.25170000e+04 3.14620000e+04 1.83890000e+04 1.17990000e+04 8.07550000e+03 4.31750000e+03 2.59800000e+03 1.29310000e+03 1.26830000e+03 9.85810000e+02 4.79230000e+02 1.66050000e+02 7.60990000e+01 4.09480000e+01 2.44720000e+01 1.07180000e+01 5.59810000e+00 1.69970000e+00 7.29630000e-01 2.26480000e-01 1.02150000e-01 5.67740000e-02 3.60040000e-02 1.84600000e-02 1.14960000e-02 5.33870000e-03] JK = 6.9946614012 M1 = [ 4.07820000e+04 2.05430000e+04 1.93410000e+04 1.90690000e+04 1.83100000e+04 1.80510000e+04 1.53160000e+04 1.50950000e+04 1.22070000e+04 5.60310000e+03 3.12780000e+03 1.95680000e+03 1.31980000e+03 6.94990000e+02 4.15400000e+02 2.05770000e+02 2.01810000e+02 1.56730000e+02 7.61300000e+01 2.64210000e+01 1.21360000e+01 6.54350000e+00 3.91700000e+00 1.71980000e+00 8.99900000e-01 2.73750000e-01 1.17690000e-01 3.65940000e-02 1.65190000e-02 9.18480000e-03 5.82540000e-03 2.98710000e-03 1.86020000e-03 8.63730000e-04] all other = [ 1.53690000e+04 6.87560000e+03 6.40420000e+03 6.29830000e+03 6.00380000e+03 5.90410000e+03 4.86650000e+03 4.78410000e+03 3.72340000e+03 1.48770000e+03 7.50940000e+02 4.34520000e+02 2.75910000e+02 1.32570000e+02 7.42200000e+01 3.40820000e+01 3.33620000e+01 2.52830000e+01 1.15540000e+01 3.74300000e+00 1.65510000e+00 8.71030000e-01 5.12760000e-01 2.20310000e-01 1.13750000e-01 3.40120000e-02 1.44920000e-02 4.46600000e-03 2.00740000e-03 1.11330000e-03 7.04950000e-04 3.60780000e-04 2.24440000e-04 1.04180000e-04] total = [ 3.47370000e+05 1.32220000e+05 1.21670000e+05 5.25600000e+05 4.73330000e+05 6.66000000e+05 5.36920000e+05 5.95910000e+05 4.51410000e+05 1.62710000e+05 7.66430000e+04 4.21810000e+04 2.57180000e+04 1.16590000e+04 6.26300000e+03 2.73480000e+03 1.91290000e+04 1.46880000e+04 6.87210000e+03 2.25400000e+03 9.95700000e+02 5.24110000e+02 3.07610000e+02 1.31380000e+02 6.74890000e+01 1.99970000e+01 8.47150000e+00 2.59430000e+00 1.16280000e+00 6.44150000e-01 4.07770000e-01 2.08800000e-01 1.30010000e-01 6.04220000e-02] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.64560000e+04 1.26920000e+04 5.99520000e+03 1.98270000e+03 8.81230000e+02 4.63690000e+02 2.72470000e+02 1.16520000e+02 5.98990000e+01 1.77600000e+01 7.52570000e+00 2.30500000e+00 1.03320000e+00 5.72450000e-01 3.62430000e-01 1.85640000e-01 1.15620000e-01 5.37590000e-02] [Br.binding] K = 13.4356 L1 = 1.7693 M5 = 0.0784 M4 = 0.0796 M1 = 0.2515 L3 = 1.5536 M3 = 0.1848 M2 = 0.1919 L2 = 1.6022 [H] energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] total = [ 1.14140000e+01 2.93160000e+00 1.11060000e+00 2.80640000e-01 1.05250000e-01 4.90690000e-02 2.62740000e-02 9.81630000e-03 4.55820000e-03 1.12800000e-03 4.18160000e-04 1.03160000e-04 3.82280000e-05 1.77090000e-05 9.45510000e-06 3.52260000e-06 1.64420000e-06 4.17650000e-07 1.61060000e-07 4.41380000e-08 1.85810000e-08 9.92720000e-09 6.15780000e-09 3.11760000e-09 1.96070000e-09 9.73180000e-10] K = [ 1.14140000e+01 2.93160000e+00 1.11060000e+00 2.80640000e-01 1.05250000e-01 4.90690000e-02 2.62740000e-02 9.81630000e-03 4.55820000e-03 1.12800000e-03 4.18160000e-04 1.03160000e-04 3.82280000e-05 1.77090000e-05 9.45510000e-06 3.52260000e-06 1.64420000e-06 4.17650000e-07 1.61060000e-07 4.41380000e-08 1.85810000e-08 9.92720000e-09 6.15780000e-09 3.11760000e-09 1.96070000e-09 9.73180000e-10] [H.binding] K = 0.0136 [P] energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 2.12830000e+00 2.14530000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 5.64720000e+02 1.65060000e+02 6.62860000e+01 5.42220000e+01 5.28370000e+01 1.73610000e+01 6.45230000e+00 2.93880000e+00 1.52830000e+00 5.34240000e-01 2.32740000e-01 4.98220000e-02 1.63480000e-02 3.33730000e-03 1.07500000e-03 4.46620000e-04 2.18300000e-04 7.10140000e-05 2.99900000e-05 6.46880000e-06 2.25900000e-06 5.50460000e-07 2.15490000e-07 1.08610000e-07 6.40150000e-08 2.94850000e-08 1.69910000e-08 7.00570000e-09] M = [ 5.27660000e+03 1.98000000e+03 9.67710000e+02 8.27170000e+02 8.10660000e+02 3.42270000e+02 1.59820000e+02 8.73790000e+01 5.29230000e+01 2.36100000e+01 1.24780000e+01 3.81210000e+00 1.61100000e+00 4.66760000e-01 1.90920000e-01 9.47630000e-02 5.32620000e-02 2.13450000e-02 1.04750000e-02 2.88020000e-03 1.16450000e-03 3.37020000e-04 1.46250000e-04 7.94360000e-05 4.96850000e-05 2.51720000e-05 1.56590000e-05 7.36930000e-06] L = [ 9.29710000e+04 3.15690000e+04 1.44420000e+04 1.21760000e+04 1.19120000e+04 4.69460000e+03 2.08480000e+03 1.10230000e+03 6.51590000e+02 2.81640000e+02 1.45740000e+02 4.32000000e+01 1.79630000e+01 5.11700000e+00 2.07480000e+00 1.02420000e+00 5.73560000e-01 2.28770000e-01 1.12010000e-01 3.06890000e-02 1.23860000e-02 3.57930000e-03 1.55210000e-03 8.42650000e-04 5.26870000e-04 2.66740000e-04 1.65760000e-04 7.77480000e-05] L2 = [ 1.87930000e+04 5.34130000e+03 2.10610000e+03 1.71510000e+03 1.67040000e+03 5.38490000e+02 1.97890000e+02 8.94940000e+01 4.63090000e+01 1.60800000e+01 6.97580000e+00 1.48420000e+00 4.85320000e-01 9.86920000e-02 3.17190000e-02 1.31570000e-02 6.42090000e-03 2.09470000e-03 8.84750000e-04 1.90880000e-04 6.66880000e-05 1.62900000e-05 6.39270000e-06 3.22330000e-06 1.90080000e-06 8.80110000e-07 5.08110000e-07 2.10910000e-07] L3 = [ 3.68990000e+04 1.04550000e+04 4.11220000e+03 3.34690000e+03 3.25940000e+03 1.04720000e+03 3.83610000e+02 1.73000000e+02 8.92930000e+01 3.08670000e+01 1.33360000e+01 2.81100000e+00 9.11860000e-01 1.82850000e-01 5.80380000e-02 2.38100000e-02 1.15080000e-02 3.66860000e-03 1.52400000e-03 3.19030000e-04 1.09390000e-04 2.63200000e-05 1.03840000e-05 5.36030000e-06 3.24890000e-06 1.58220000e-06 9.66360000e-07 4.40520000e-07] M3 = [ 1.10900000e+03 3.23060000e+02 1.29410000e+02 1.05800000e+02 1.03090000e+02 3.37520000e+01 1.24770000e+01 5.66600000e+00 2.93930000e+00 1.02270000e+00 4.43710000e-01 9.40990000e-02 3.06270000e-02 6.16390000e-03 1.96030000e-03 8.05110000e-04 3.89360000e-04 1.24380000e-04 5.17090000e-05 1.08320000e-05 3.71460000e-06 8.95310000e-07 3.54210000e-07 1.82750000e-07 1.10820000e-07 5.43810000e-08 3.33630000e-08 1.55810000e-08] L1 = [ 3.72790000e+04 1.57730000e+04 8.22370000e+03 7.11370000e+03 6.98180000e+03 3.10880000e+03 1.50330000e+03 8.39770000e+02 5.15990000e+02 2.34690000e+02 1.25430000e+02 3.89050000e+01 1.65660000e+01 4.83550000e+00 1.98500000e+00 9.87280000e-01 5.55630000e-01 2.23010000e-01 1.09600000e-01 3.01790000e-02 1.22100000e-02 3.53670000e-03 1.53530000e-03 8.34060000e-04 5.21720000e-04 2.64280000e-04 1.64290000e-04 7.70960000e-05] JK = 9.77389833115 M1 = [ 3.60290000e+03 1.49190000e+03 7.72020000e+02 6.67150000e+02 6.54730000e+02 2.91160000e+02 1.40890000e+02 7.87750000e+01 4.84560000e+01 2.20530000e+01 1.18010000e+01 3.66820000e+00 1.56400000e+00 4.57260000e-01 1.87890000e-01 9.35110000e-02 5.26540000e-02 2.11490000e-02 1.03940000e-02 2.86290000e-03 1.15850000e-03 3.35580000e-04 1.45680000e-04 7.91440000e-05 4.95100000e-05 2.50890000e-05 1.56090000e-05 7.34670000e-06] all other = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0.] total = [ 9.82480000e+04 3.35490000e+04 1.54100000e+04 1.30030000e+04 1.27090000e+05 5.74090000e+04 2.68840000e+04 1.46450000e+04 8.81850000e+03 3.89200000e+03 2.03640000e+03 6.11210000e+02 2.55500000e+02 7.30990000e+01 2.96860000e+01 1.46640000e+01 8.21310000e+00 3.27610000e+00 1.60310000e+00 4.38910000e-01 1.77060000e-01 5.11330000e-02 2.21640000e-02 1.20320000e-02 7.52280000e-03 3.81290000e-03 2.37020000e-03 1.11240000e-03] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.14370000e+05 5.23720000e+04 2.46390000e+04 1.34550000e+04 8.11400000e+03 3.58680000e+03 1.87820000e+03 5.64190000e+02 2.35920000e+02 6.75150000e+01 2.74200000e+01 1.35450000e+01 7.58620000e+00 3.02600000e+00 1.48060000e+00 4.05340000e-01 1.63510000e-01 4.72170000e-02 2.04660000e-02 1.11090000e-02 6.94630000e-03 3.52100000e-03 2.18880000e-03 1.02730000e-03] [P.binding] K = 2.1304 L1 = 0.1872 M1 = 0.0172 L3 = 0.1382 M3 = 0.0083 M2 = 0.0084 L2 = 0.1392 [Os] JL1 = 1.13214242229 JL3 = 2.53230442143 JL2 = 1.3577698592 energy = [ 1.00000000e+00 1.50000000e+00 1.96870000e+00 1.98440000e+00 2.00000000e+00 2.04250000e+00 2.05880000e+00 2.44920000e+00 2.46880000e+00 2.78800000e+00 2.81030000e+00 3.00000000e+00 3.02860000e+00 3.05280000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.08650000e+01 1.09520000e+01 1.24120000e+01 1.25110000e+01 1.29420000e+01 1.30450000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 7.40240000e+01 7.46170000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 4.90592277487 M5 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.39070000e+05 3.91280000e+05 5.43270000e+05 5.45850000e+05 3.58040000e+05 3.50420000e+05 2.51700000e+05 2.46250000e+05 2.07110000e+05 2.01870000e+05 1.97570000e+05 9.12980000e+04 4.65060000e+04 2.62580000e+04 1.03060000e+04 4.85100000e+03 3.64290000e+03 3.54360000e+03 2.28740000e+03 2.22390000e+03 1.97310000e+03 1.91810000e+03 1.16420000e+03 4.06070000e+02 8.75480000e+01 2.86110000e+01 1.18630000e+01 5.74530000e+00 2.48430000e+00 2.40640000e+00 1.82170000e+00 7.47820000e-01 1.51370000e-01 5.02120000e-02 1.14770000e-02 4.32250000e-03 2.13110000e-03 1.23940000e-03 5.59830000e-04 3.22090000e-04 1.32700000e-04] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 9.36450000e+04 2.53680000e+05 2.48390000e+05 1.79530000e+05 1.75710000e+05 1.47190000e+05 1.43440000e+05 1.41270000e+05 6.63240000e+04 3.42240000e+04 1.95310000e+04 7.78880000e+03 3.71630000e+03 2.80560000e+03 2.73030000e+03 1.77690000e+03 1.72850000e+03 1.53680000e+03 1.49470000e+03 9.15920000e+02 3.26230000e+02 7.26880000e+01 2.43820000e+01 1.03320000e+01 5.09780000e+00 2.25350000e+00 2.18470000e+00 1.66620000e+00 7.00430000e-01 1.47560000e-01 5.00210000e-02 1.15780000e-02 4.31780000e-03 2.08620000e-03 1.18360000e-03 5.19130000e-04 2.84600000e-04 1.10790000e-04] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.51920000e+04 1.76710000e+04 1.26910000e+04 9.43990000e+03 5.76070000e+03 3.84000000e+03 3.28970000e+03 3.24070000e+03 2.55110000e+03 2.51220000e+03 2.35340000e+03 2.31740000e+03 1.76100000e+03 9.82680000e+02 4.14740000e+02 2.18670000e+02 1.31020000e+02 8.53590000e+01 5.15580000e+01 5.05690000e+01 4.26770000e+01 2.46030000e+01 8.84110000e+00 4.23540000e+00 1.50880000e+00 7.38880000e-01 4.32680000e-01 2.83780000e-01 1.50670000e-01 9.48320000e-02 4.35470000e-02] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.26090000e+05 1.05370000e+05 1.04070000e+05 9.33230000e+04 9.17960000e+04 9.05240000e+04 5.64150000e+04 3.66650000e+04 2.51920000e+04 1.33780000e+04 7.93450000e+03 6.49180000e+03 6.36620000e+03 4.66860000e+03 4.57620000e+03 4.20220000e+03 4.11820000e+03 2.87780000e+03 1.33690000e+03 4.27870000e+02 1.83640000e+02 9.35290000e+01 5.33320000e+01 2.76530000e+01 2.69670000e+01 2.16460000e+01 1.06550000e+01 2.91640000e+00 1.17050000e+00 3.35020000e-01 1.43910000e-01 7.72650000e-02 4.76640000e-02 2.33500000e-02 1.40070000e-02 6.07310000e-03] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.20830000e+04 3.86550000e+04 3.83190000e+04 3.80220000e+04 2.60050000e+04 1.83580000e+04 1.32450000e+04 7.53820000e+03 4.69240000e+03 3.90330000e+03 3.83420000e+03 2.88630000e+03 2.83360000e+03 2.61920000e+03 2.57090000e+03 1.84780000e+03 9.08420000e+02 3.14830000e+02 1.43190000e+02 7.63750000e+01 4.52730000e+01 2.45760000e+01 2.40090000e+01 1.95720000e+01 1.01330000e+01 3.04560000e+00 1.30530000e+00 4.06770000e-01 1.83790000e-01 1.01850000e-01 6.41350000e-02 3.22830000e-02 1.96610000e-02 8.70370000e-03] total = [ 1.26960000e+06 5.65410000e+05 3.16630000e+05 4.50230000e+05 6.97180000e+05 8.35410000e+05 9.26570000e+05 8.06890000e+05 9.16600000e+05 6.82080000e+05 7.10970000e+05 6.09220000e+05 5.95690000e+05 6.10650000e+05 3.20330000e+05 1.85050000e+05 1.17100000e+05 5.62200000e+04 3.15430000e+04 2.53990000e+04 6.43180000e+04 4.60240000e+04 6.24900000e+04 5.74910000e+04 6.50880000e+04 4.57190000e+04 2.15450000e+04 7.29700000e+03 3.34070000e+03 1.81110000e+03 1.09470000e+03 6.11200000e+02 2.99850000e+03 2.49950000e+03 1.39170000e+03 4.70840000e+02 2.16880000e+02 7.38230000e+01 3.53300000e+01 2.04350000e+01 1.33120000e+01 7.02640000e+00 4.41800000e+00 2.03260000e+00] JM2 = 1.0423557354 JM3 = 1.13596648862 K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.40070000e+03 2.00710000e+03 1.12730000e+03 3.85420000e+02 1.78320000e+02 6.09380000e+01 2.92310000e+01 1.69380000e+01 1.10510000e+01 5.84720000e+00 3.68300000e+00 1.69870000e+00] JM1 = 1.02511373365 M = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.39070000e+05 3.91280000e+05 5.43270000e+05 6.39490000e+05 6.11720000e+05 7.24900000e+05 5.36600000e+05 5.68120000e+05 4.86280000e+05 4.75420000e+05 4.92570000e+05 2.57710000e+05 1.48440000e+05 9.36660000e+04 4.47730000e+04 2.50340000e+04 2.01330000e+04 1.97150000e+04 1.41700000e+04 1.38740000e+04 1.26850000e+04 1.24190000e+04 8.56670000e+03 3.96030000e+03 1.31770000e+03 5.98490000e+02 3.23120000e+02 1.94810000e+02 1.08520000e+02 1.06140000e+02 8.73830000e+01 4.68390000e+01 1.51020000e+01 6.81140000e+00 2.27360000e+00 1.07520000e+00 6.16010000e-01 3.98000000e-01 2.07380000e-01 1.29110000e-01 5.85670000e-02] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.94440000e+04 2.81130000e+04 4.49510000e+04 4.14470000e+04 4.93790000e+04 3.48620000e+04 1.65080000e+04 5.61390000e+03 2.57420000e+03 1.39640000e+03 8.44340000e+02 4.71550000e+02 4.61210000e+02 3.79950000e+02 2.04030000e+02 6.59160000e+01 2.97570000e+01 9.94230000e+00 4.70600000e+00 2.69850000e+00 1.74500000e+00 9.10490000e-01 5.67630000e-01 2.58000000e-01] JM4 = 1.10912007278 JM5 = 1.42194359347 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.74190000e+04 1.62460000e+04 1.58630000e+04 1.11070000e+04 5.13940000e+03 1.64930000e+03 7.15180000e+02 3.69350000e+02 2.13890000e+02 1.13370000e+02 1.10670000e+02 8.95710000e+01 4.54140000e+01 1.32430000e+01 5.58390000e+00 1.71100000e+00 7.66580000e-01 4.22730000e-01 2.65410000e-01 1.33010000e-01 8.08160000e-02 3.57180000e-02] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.94440000e+04 2.81130000e+04 2.75320000e+04 2.52020000e+04 2.46780000e+04 1.68080000e+04 7.25920000e+03 2.14480000e+03 8.78230000e+02 4.33230000e+02 2.41410000e+02 1.22290000e+02 1.19160000e+02 9.49830000e+01 4.58200000e+01 1.21840000e+01 4.81570000e+00 1.35710000e+00 5.78590000e-01 3.09340000e-01 1.90340000e-01 9.31540000e-02 5.58530000e-02 2.42050000e-02] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 8.83800000e+03 6.94680000e+03 4.10960000e+03 1.81970000e+03 9.80750000e+02 5.93860000e+02 3.89040000e+02 2.35890000e+02 2.31390000e+02 1.95400000e+02 1.12790000e+02 4.04890000e+01 1.93570000e+01 6.87430000e+00 3.36080000e+00 1.96640000e+00 1.28920000e+00 6.84330000e-01 4.30960000e-01 1.98080000e-01] all other = [ 1.26960000e+06 5.65410000e+05 3.16630000e+05 3.11170000e+05 3.05890000e+05 2.92140000e+05 2.87080000e+05 1.95170000e+05 1.91700000e+05 1.45480000e+05 1.42850000e+05 1.22930000e+05 1.20270000e+05 1.18080000e+05 6.26180000e+04 3.66070000e+04 2.34300000e+04 1.14480000e+04 6.50880000e+03 5.26610000e+03 5.15970000e+03 3.74120000e+03 3.66500000e+03 3.35850000e+03 3.28990000e+03 2.29010000e+03 1.07660000e+03 3.65420000e+02 1.68060000e+02 9.15170000e+01 5.55130000e+01 3.11200000e+01 3.04420000e+01 2.51110000e+01 1.35360000e+01 4.40110000e+00 1.99410000e+00 6.69020000e-01 3.17230000e-01 1.82040000e-01 1.17730000e-01 6.14070000e-02 3.82630000e-02 1.73690000e-02] [Os.binding] K = 74.0983 L1 = 12.9548 M5 = 1.9706 M4 = 2.0445 M1 = 3.0316 L3 = 10.8761 M3 = 2.4517 M2 = 2.7908 L2 = 12.4244 [Es] JL1 = 1.13158902361 JL3 = 2.27478119275 JL2 = 1.40897601528 energy = [ 1.00000000e+00 1.02300000e+00 1.03110000e+00 1.31460000e+00 1.32510000e+00 1.50000000e+00 1.67310000e+00 1.68650000e+00 1.85980000e+00 1.87470000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 4.36430000e+00 4.39920000e+00 4.62030000e+00 4.65730000e+00 5.00000000e+00 5.24130000e+00 5.28320000e+00 6.00000000e+00 6.56080000e+00 6.61330000e+00 6.96350000e+00 7.01930000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 2.03850000e+01 2.05490000e+01 2.59880000e+01 2.61960000e+01 2.68660000e+01 2.70810000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.39340000e+02 1.40460000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 3.8305508728 M5 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.06720000e+05 1.91580000e+05 1.87570000e+05 1.56920000e+05 1.38600000e+05 1.35620000e+05 9.41600000e+04 7.21290000e+04 7.05320000e+04 6.07570000e+04 5.93280000e+04 3.98600000e+04 2.00140000e+04 5.37050000e+03 2.02030000e+03 1.89130000e+03 1.83970000e+03 8.05960000e+02 7.83390000e+02 7.15990000e+02 6.95910000e+02 4.82020000e+02 1.68800000e+02 7.37060000e+01 3.71730000e+01 1.25100000e+01 5.36540000e+00 1.53120000e+00 1.48600000e+00 1.16140000e+00 4.01980000e-01 9.54590000e-02 3.65670000e-02 1.81460000e-02 1.05670000e-02 4.82330000e-03 2.75300000e-03 1.11510000e-03] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.29630000e+05 1.15270000e+05 1.02840000e+05 1.00830000e+05 7.16690000e+04 5.54230000e+04 5.41500000e+04 4.65770000e+04 4.55660000e+04 3.10790000e+04 1.59400000e+04 4.44490000e+03 1.72050000e+03 1.61380000e+03 1.57120000e+03 7.06640000e+02 6.87490000e+02 6.30100000e+02 6.12950000e+02 4.29600000e+02 1.55760000e+02 6.99630000e+01 3.61420000e+01 1.26440000e+01 5.58820000e+00 1.66470000e+00 1.61710000e+00 1.27390000e+00 4.54760000e-01 1.11150000e-01 4.28400000e-02 2.11640000e-02 1.22100000e-02 5.47630000e-03 3.06000000e-03 1.20060000e-03] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 8.77760000e+03 7.35590000e+03 5.34910000e+03 2.83460000e+03 1.71050000e+03 1.65180000e+03 1.62770000e+03 1.04860000e+03 1.03260000e+03 9.83520000e+02 9.68490000e+02 7.93830000e+02 4.44780000e+02 2.78970000e+02 1.88500000e+02 9.97680000e+01 6.01020000e+01 2.78120000e+01 2.72970000e+01 2.33890000e+01 1.18550000e+01 4.56600000e+00 2.35510000e+00 1.42940000e+00 9.61180000e-01 5.25290000e-01 3.35010000e-01 1.54290000e-01] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.82930000e+04 4.71970000e+04 4.05550000e+04 3.99510000e+04 3.61370000e+04 3.55700000e+04 2.75640000e+04 1.75350000e+04 7.18650000e+03 3.61520000e+03 3.44980000e+03 3.38290000e+03 1.87170000e+03 1.83370000e+03 1.71790000e+03 1.68270000e+03 1.28750000e+03 5.93580000e+02 3.18900000e+02 1.89670000e+02 8.20190000e+01 4.22860000e+01 1.55990000e+01 1.52280000e+01 1.24880000e+01 5.25230000e+00 1.58250000e+00 6.96570000e-01 3.78040000e-01 2.34010000e-01 1.14480000e-01 6.81350000e-02 2.88140000e-02] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.38580000e+04 1.31560000e+04 1.30390000e+04 1.14480000e+04 8.31630000e+03 4.21410000e+03 2.40240000e+03 2.31030000e+03 2.27280000e+03 1.38070000e+03 1.35690000e+03 1.28400000e+03 1.26170000e+03 1.00340000e+03 5.14740000e+02 2.99720000e+02 1.90310000e+02 9.11690000e+01 5.08720000e+01 2.10900000e+01 2.06460000e+01 1.73230000e+01 8.03660000e+00 2.75780000e+00 1.31960000e+00 7.59450000e-01 4.91210000e-01 2.55740000e-01 1.59000000e-01 7.24380000e-02] total = [ 3.25290000e+06 3.14140000e+06 3.19420000e+06 2.14070000e+06 2.24360000e+06 1.76230000e+06 1.41140000e+06 1.40510000e+06 1.14580000e+06 1.14680000e+06 9.99820000e+05 4.10150000e+05 2.11700000e+05 1.72580000e+05 3.76100000e+05 3.42460000e+05 4.65260000e+05 3.97310000e+05 3.53280000e+05 4.04470000e+05 2.93880000e+05 2.33240000e+05 2.42380000e+05 2.12980000e+05 2.17550000e+05 1.57440000e+05 9.02640000e+04 3.23990000e+04 1.54820000e+04 1.47390000e+04 3.35280000e+04 1.78030000e+04 2.50840000e+04 2.35050000e+04 2.65980000e+04 2.04890000e+04 9.88430000e+03 5.54390000e+03 3.43950000e+03 1.60890000e+03 8.89300000e+02 3.67780000e+02 1.40880000e+03 1.20490000e+03 5.83740000e+02 2.13170000e+02 1.06900000e+02 6.38860000e+01 4.25790000e+01 2.30780000e+01 1.46760000e+01 6.76310000e+00] JM2 = 1.03918710341 JM3 = 1.14489923007 K = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 1048.8 902.55 442.2 163.46 82.584 49.622 33.211 18.103 11.551 5.3417] JM1 = 1.02145741384 M = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.06720000e+05 1.91580000e+05 3.17190000e+05 2.72180000e+05 2.41440000e+05 2.94750000e+05 2.13030000e+05 1.68110000e+05 1.78490000e+05 1.56630000e+05 1.62280000e+05 1.17310000e+05 6.71540000e+04 2.40510000e+04 1.14690000e+04 1.09170000e+04 1.06940000e+04 5.81360000e+03 5.69410000e+03 5.33150000e+03 5.22170000e+03 3.99640000e+03 1.87770000e+03 1.04130000e+03 6.41790000e+02 2.98110000e+02 1.64210000e+02 6.76980000e+01 6.62740000e+01 5.56360000e+01 2.60010000e+01 9.11300000e+00 4.45060000e+00 2.60620000e+00 1.70920000e+00 9.05810000e-01 5.67960000e-01 2.57850000e-01] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.90890000e+04 9.94250000e+03 1.73850000e+04 1.62950000e+04 1.95370000e+04 1.50810000e+04 7.33920000e+03 4.13090000e+03 2.56780000e+03 1.20350000e+03 6.65780000e+02 2.75520000e+02 2.69740000e+02 2.26550000e+02 1.06070000e+02 3.72650000e+01 1.82390000e+01 1.07020000e+01 7.03100000e+00 3.73680000e+00 2.34780000e+00 1.06880000e+00] JM4 = 1.35858202418 JM5 = 2.17927917488 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 7.65580000e+03 7.21420000e+03 7.12680000e+03 5.48810000e+03 2.70690000e+03 1.51620000e+03 9.33830000e+02 4.28140000e+02 2.31890000e+02 9.25890000e+01 9.05670000e+01 7.55000000e+01 3.41570000e+01 1.14120000e+01 5.38640000e+00 3.07540000e+00 1.97930000e+00 1.02510000e+00 6.35640000e-01 2.88650000e-01] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.90890000e+04 9.94250000e+03 9.72950000e+03 9.08110000e+03 8.88420000e+03 6.65070000e+03 2.87380000e+03 1.47850000e+03 8.51680000e+02 3.52100000e+02 1.76260000e+02 6.26820000e+01 6.11440000e+01 4.98300000e+01 2.04670000e+01 6.01760000e+00 2.61730000e+00 1.41110000e+00 8.70080000e-01 4.24030000e-01 2.51920000e-01 1.06730000e-01] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.52560000e+03 2.94200000e+03 1.75850000e+03 1.13620000e+03 7.82280000e+02 4.23240000e+02 2.57630000e+02 1.20250000e+02 1.18030000e+02 1.01220000e+02 5.14450000e+01 1.98360000e+01 1.02350000e+01 6.21520000e+00 4.18160000e+00 2.28770000e+00 1.46020000e+00 6.73420000e-01] all other = [ 3.25290000e+06 3.14140000e+06 3.19420000e+06 2.14070000e+06 2.24360000e+06 1.76230000e+06 1.41140000e+06 1.40510000e+06 1.14580000e+06 1.14680000e+06 9.99820000e+05 4.10150000e+05 2.11700000e+05 1.72580000e+05 1.69380000e+05 1.50880000e+05 1.48070000e+05 1.25130000e+05 1.11840000e+05 1.09730000e+05 8.08530000e+04 6.51370000e+04 6.38870000e+04 5.63510000e+04 5.52670000e+04 4.01280000e+04 2.31100000e+04 8.34850000e+03 4.01300000e+03 3.82150000e+03 3.74420000e+03 2.04670000e+03 2.00490000e+03 1.87840000e+03 1.84010000e+03 1.41160000e+03 6.67450000e+02 3.71740000e+02 2.29890000e+02 1.07300000e+02 5.93160000e+01 2.45660000e+01 2.40520000e+01 2.02080000e+01 9.47840000e+00 3.33410000e+00 1.63130000e+00 9.56110000e-01 6.27660000e-01 3.32820000e-01 2.08740000e-01 9.47620000e-02] [Es.binding] K = 139.4815 L1 = 26.8925 M5 = 4.3686 M4 = 4.6249 M1 = 6.9705 L3 = 20.4058 M3 = 5.2465 M2 = 6.5673 L2 = 26.0139 [Hg] JL1 = 1.13207624095 JL3 = 2.48028298179 JL2 = 1.36420689833 energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 2.29810000e+00 2.31650000e+00 2.39240000e+00 2.41150000e+00 2.83390000e+00 2.85660000e+00 3.00000000e+00 3.27130000e+00 3.29750000e+00 3.53560000e+00 3.56390000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.22740000e+01 1.23720000e+01 1.42410000e+01 1.43550000e+01 1.48190000e+01 1.49380000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 8.33200000e+01 8.39870000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 4.7288683436 M5 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 9.53280000e+04 4.58290000e+05 4.54030000e+05 3.01920000e+05 2.95400000e+05 2.58110000e+05 2.02850000e+05 1.98370000e+05 1.64310000e+05 1.60790000e+05 1.16070000e+05 5.99990000e+04 3.42250000e+04 1.36320000e+04 6.49240000e+03 3.21960000e+03 3.13160000e+03 1.91350000e+03 1.86030000e+03 1.66170000e+03 1.61530000e+03 1.59170000e+03 5.63100000e+02 1.23790000e+02 4.09990000e+01 1.71700000e+01 8.37920000e+00 2.68680000e+00 2.28740000e+00 2.21640000e+00 1.11190000e+00 2.27960000e-01 7.61760000e-02 1.75430000e-02 6.62880000e-03 3.27270000e-03 1.90400000e-03 8.61290000e-04 4.97510000e-04 2.00660000e-04] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 6.68830000e+04 2.15810000e+05 2.11280000e+05 1.85250000e+05 1.46290000e+05 1.43120000e+05 1.18040000e+05 1.16030000e+05 8.47300000e+04 4.43450000e+04 2.55540000e+04 1.03710000e+04 5.01130000e+03 2.51980000e+03 2.45230000e+03 1.51360000e+03 1.47240000e+03 1.31820000e+03 1.28210000e+03 1.26370000e+03 4.57170000e+02 1.04070000e+02 3.54280000e+01 1.51780000e+01 7.55310000e+00 2.50010000e+00 2.13810000e+00 2.07360000e+00 1.06060000e+00 2.26750000e-01 7.75570000e-02 1.81390000e-02 6.80660000e-03 3.30250000e-03 1.87970000e-03 8.25790000e-04 4.53930000e-04 1.77040000e-04] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.09520000e+04 1.84670000e+04 1.32610000e+04 1.01270000e+04 6.28880000e+03 4.23990000e+03 2.90470000e+03 2.86170000e+03 2.18820000e+03 2.15470000e+03 2.02610000e+03 1.99500000e+03 1.97900000e+03 1.11670000e+03 4.78260000e+02 2.54770000e+02 1.53860000e+02 1.00890000e+02 5.09620000e+01 4.61980000e+01 4.53160000e+01 2.96120000e+01 1.07930000e+01 5.22170000e+00 1.88470000e+00 9.30760000e-01 5.48120000e-01 3.60870000e-01 1.92400000e-01 1.21330000e-01 5.57100000e-02] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.06440000e+05 1.01080000e+05 8.93580000e+04 8.82090000e+04 7.81440000e+04 7.70280000e+04 6.24350000e+04 4.16850000e+04 2.89600000e+04 1.56570000e+04 9.40310000e+03 5.75370000e+03 5.64220000e+03 3.97600000e+03 3.89700000e+03 3.59530000e+03 3.52310000e+03 3.48600000e+03 1.64390000e+03 5.36660000e+02 2.33490000e+02 1.20120000e+02 6.90430000e+01 2.83580000e+01 2.49740000e+01 2.43590000e+01 1.40790000e+01 3.90850000e+00 1.58220000e+00 4.57210000e-01 1.97310000e-01 1.06160000e-01 6.55350000e-02 3.20890000e-02 1.92170000e-02 8.30460000e-03] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.43810000e+04 3.20650000e+04 3.18290000e+04 2.74810000e+04 1.97390000e+04 1.46670000e+04 8.61520000e+03 5.48420000e+03 3.52650000e+03 3.46450000e+03 2.52330000e+03 2.47750000e+03 2.30180000e+03 2.25950000e+03 2.23780000e+03 1.12540000e+03 4.01590000e+02 1.86260000e+02 1.00800000e+02 6.04330000e+01 2.65750000e+01 2.36350000e+01 2.30970000e+01 1.39310000e+01 4.27500000e+00 1.85650000e+00 5.87890000e-01 2.68180000e-01 1.49560000e-01 9.46050000e-02 4.78450000e-02 2.92700000e-02 1.30100000e-02] total = [ 1.60490000e+06 7.20090000e+05 3.90530000e+05 2.87670000e+05 3.77940000e+05 7.21320000e+05 7.79310000e+05 6.97130000e+05 7.89290000e+05 7.01890000e+05 5.67410000e+05 5.90630000e+05 5.00100000e+05 5.12170000e+05 3.89580000e+05 2.26100000e+05 1.43690000e+05 6.93210000e+04 3.90300000e+04 2.28990000e+04 5.67960000e+04 3.88790000e+04 5.30390000e+04 4.90550000e+04 5.55340000e+04 5.48950000e+04 2.62780000e+04 8.98920000e+03 4.14180000e+03 2.25650000e+03 1.36930000e+03 6.19660000e+02 5.53790000e+02 2.61880000e+03 1.65650000e+03 5.70200000e+02 2.64750000e+02 9.11300000e+01 4.39220000e+01 2.55300000e+01 1.66870000e+01 8.84220000e+00 5.56840000e+00 2.56120000e+00] JM2 = 1.04092278952 JM3 = 1.13219915941 K = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 2077.1 1322.3 461.36 215.32 74.481 36. 20.971 13.733 7.2972 4.6046 2.1237] JM1 = 1.02413517297 M = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 9.53280000e+04 4.58290000e+05 5.20920000e+05 5.17730000e+05 6.13120000e+05 5.44440000e+05 4.38490000e+05 4.64080000e+05 3.92560000e+05 4.06630000e+05 3.09190000e+05 1.79030000e+05 1.13530000e+05 5.45640000e+04 3.06310000e+04 1.79240000e+04 1.75520000e+04 1.21150000e+04 1.18620000e+04 1.09030000e+04 1.06750000e+04 1.05580000e+04 4.90630000e+03 1.64440000e+03 7.50940000e+02 4.07130000e+02 2.46300000e+02 1.11080000e+02 9.92330000e+01 9.70620000e+01 5.97950000e+01 1.94320000e+01 8.81410000e+00 2.96550000e+00 1.40970000e+00 8.10410000e-01 5.24800000e-01 2.74020000e-01 1.70770000e-01 7.74030000e-02] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.43700000e+04 2.33730000e+04 3.78550000e+04 3.50940000e+04 4.18630000e+04 4.13730000e+04 1.99750000e+04 6.86850000e+03 3.17100000e+03 1.72930000e+03 1.04990000e+03 4.75380000e+02 4.24870000e+02 4.15600000e+02 2.56420000e+02 8.35290000e+01 3.79300000e+01 1.27770000e+01 6.08050000e+00 3.49940000e+00 2.26840000e+00 1.18670000e+00 7.40480000e-01 3.36300000e-01] JM4 = 1.08039427716 JM5 = 1.31379705913 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.49680000e+04 1.40510000e+04 1.37280000e+04 1.35590000e+04 6.46780000e+03 2.11880000e+03 9.35300000e+02 4.89320000e+02 2.86140000e+02 1.21580000e+02 1.07670000e+02 1.05130000e+02 6.23180000e+01 1.85040000e+01 7.89360000e+00 2.45370000e+00 1.10890000e+00 6.15110000e-01 3.87800000e-01 1.95410000e-01 1.19140000e-01 5.28640000e-02] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.43700000e+04 2.33730000e+04 2.28870000e+04 2.10440000e+04 2.06030000e+04 2.03760000e+04 8.97870000e+03 2.69970000e+03 1.11580000e+03 5.54800000e+02 3.11130000e+02 1.23590000e+02 1.08380000e+02 1.05630000e+02 6.00380000e+01 1.61510000e+01 6.42930000e+00 1.82650000e+00 7.81770000e-01 4.18710000e-01 2.57780000e-01 1.26080000e-01 7.54790000e-02 3.25570000e-02] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 7.53210000e+03 7.43820000e+03 4.52820000e+03 2.05000000e+03 1.11990000e+03 6.85210000e+02 4.52670000e+02 2.30210000e+02 2.08820000e+02 2.04850000e+02 1.34070000e+02 4.88750000e+01 2.36070000e+01 8.49710000e+00 4.18980000e+00 2.46560000e+00 1.62280000e+00 8.65190000e-01 5.45860000e-01 2.50880000e-01] all other = [ 1.60490000e+06 7.20090000e+05 3.90530000e+05 2.87670000e+05 2.82620000e+05 2.63040000e+05 2.58390000e+05 1.79400000e+05 1.76160000e+05 1.57460000e+05 1.28910000e+05 1.26550000e+05 1.07530000e+05 1.05540000e+05 8.03880000e+04 4.70720000e+04 3.01620000e+04 1.47570000e+04 8.39930000e+03 4.97500000e+03 4.87400000e+03 3.39070000e+03 3.32140000e+03 3.05810000e+03 2.99550000e+03 2.96330000e+03 1.39700000e+03 4.76350000e+02 2.19800000e+02 1.20080000e+02 7.30600000e+01 3.32030000e+01 2.96910000e+01 2.90470000e+01 1.79650000e+01 5.88410000e+00 2.68090000e+00 9.06490000e-01 4.31920000e-01 2.48680000e-01 1.61190000e-01 8.42800000e-02 5.25460000e-02 2.38310000e-02] [Hg.binding] K = 83.403 L1 = 14.834 M5 = 2.3005 M4 = 2.3948 M1 = 3.5392 L3 = 12.2862 M3 = 2.8368 M2 = 3.2745 L2 = 14.2548 [Ge] JL1 = 1.10863318796 JL3 = 4.01611079706 JL2 = 1.34611440103 energy = [ 1.00000000e+00 1.22150000e+00 1.23130000e+00 1.25420000e+00 1.26430000e+00 1.40100000e+00 1.41220000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.10560000e+01 1.11440000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 3.96310000e+04 2.61530000e+04 2.57070000e+04 2.47030000e+04 2.42790000e+04 1.93540000e+04 1.90100000e+04 1.65760000e+04 8.36130000e+03 2.94280000e+03 1.33470000e+03 7.04150000e+02 4.10840000e+02 1.70600000e+02 8.43230000e+01 6.10510000e+01 5.94950000e+01 2.23950000e+01 8.47780000e+00 2.07960000e+00 7.51710000e-01 3.38590000e-01 1.75920000e-01 6.26330000e-02 2.81520000e-02 6.70660000e-03 2.48730000e-03 6.51060000e-04 2.65660000e-04 1.37660000e-04 8.27650000e-05 3.91120000e-05 2.29630000e-05 9.65970000e-06] M = [ 2.22550000e+05 1.38120000e+05 1.35480000e+05 1.29580000e+05 1.27100000e+05 9.89880000e+04 9.70720000e+04 8.36850000e+04 4.07480000e+04 1.43340000e+04 6.70750000e+03 3.68810000e+03 2.24980000e+03 1.02140000e+03 5.49270000e+02 4.14690000e+02 4.05510000e+02 1.75160000e+02 7.69730000e+01 2.37760000e+01 1.02130000e+01 5.26880000e+00 3.05600000e+00 1.28660000e+00 6.54500000e-01 1.91550000e-01 8.06100000e-02 2.44970000e-02 1.09280000e-02 6.03340000e-03 3.80940000e-03 1.94370000e-03 1.20770000e-03 5.60070000e-04] L = [ 0.00000000e+00 0.00000000e+00 4.29520000e+05 4.71730000e+05 6.83500000e+05 5.84020000e+05 6.60460000e+05 5.73590000e+05 2.84350000e+05 1.00560000e+05 4.68120000e+04 2.55710000e+04 1.55060000e+04 6.97400000e+03 3.72660000e+03 2.80610000e+03 2.74340000e+03 1.17690000e+03 5.14190000e+02 1.57670000e+02 6.74360000e+01 3.46920000e+01 2.00830000e+01 8.42940000e+00 4.28390000e+00 1.25040000e+00 5.25420000e-01 1.59420000e-01 7.10650000e-02 3.92260000e-02 2.47630000e-02 1.26340000e-02 7.85000000e-03 3.64060000e-03] M5 = [ 4.28910000e+04 2.23120000e+04 2.17280000e+04 2.04310000e+04 1.98930000e+04 1.40690000e+04 1.36920000e+04 1.11370000e+04 4.05030000e+03 9.09430000e+02 3.01400000e+02 1.24790000e+02 5.97190000e+01 1.81260000e+01 7.03310000e+00 4.57140000e+00 4.41700000e+00 1.21500000e+00 3.40070000e-01 5.53860000e-02 1.50580000e-02 5.47600000e-03 2.39850000e-03 6.57900000e-04 2.43950000e-04 4.19680000e-05 1.26900000e-05 2.60670000e-06 9.37800000e-07 4.53210000e-07 2.59020000e-07 1.18020000e-07 6.93390000e-08 2.87750000e-08] M4 = [ 2.93380000e+04 1.52920000e+04 1.48920000e+04 1.40060000e+04 1.36390000e+04 9.65600000e+03 9.39820000e+03 7.64930000e+03 2.79090000e+03 6.29780000e+02 2.09550000e+02 8.70570000e+01 4.17910000e+01 1.27570000e+01 4.97550000e+00 3.24180000e+00 3.13290000e+00 8.68340000e-01 2.46700000e-01 4.08200000e-02 1.12520000e-02 4.13730000e-03 1.83130000e-03 5.10480000e-04 1.91700000e-04 3.36820000e-05 1.02400000e-05 2.07720000e-06 7.18430000e-07 3.31160000e-07 1.82050000e-07 7.60330000e-08 4.03520000e-08 1.48320000e-08] L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.07890000e+05 1.99180000e+05 1.95110000e+05 1.66780000e+05 7.92200000e+04 2.57490000e+04 1.10970000e+04 5.64860000e+03 3.20960000e+03 1.28520000e+03 6.20610000e+02 4.45160000e+02 4.33500000e+02 1.59380000e+02 5.92090000e+01 1.42220000e+01 5.08390000e+00 2.27470000e+00 1.17640000e+00 4.15490000e-01 1.85970000e-01 4.40350000e-02 1.62780000e-02 4.24460000e-03 1.72810000e-03 8.97570000e-04 5.39370000e-04 2.55200000e-04 1.49470000e-04 6.31530000e-05] L3 = [ 0.00000000e+00 0.00000000e+00 4.29520000e+05 4.71730000e+05 4.75610000e+05 3.84840000e+05 3.76840000e+05 3.21670000e+05 1.51380000e+05 4.84650000e+04 2.06860000e+04 1.04490000e+04 5.89940000e+03 2.33720000e+03 1.11860000e+03 7.98970000e+02 7.77800000e+02 2.82130000e+02 1.03290000e+02 2.42210000e+01 8.48670000e+00 3.73180000e+00 1.90020000e+00 6.53310000e-01 2.85860000e-01 6.48140000e-02 2.32670000e-02 5.88730000e-03 2.38350000e-03 1.24050000e-03 7.55090000e-04 3.69000000e-04 2.24590000e-04 1.00880000e-04] M3 = [ 7.72860000e+04 5.06360000e+04 4.97600000e+04 4.77860000e+04 4.69530000e+04 3.72960000e+04 3.66240000e+04 3.18710000e+04 1.59260000e+04 5.53240000e+03 2.48540000e+03 1.30130000e+03 7.54390000e+02 3.09880000e+02 1.51790000e+02 1.09430000e+02 1.06600000e+02 3.95790000e+01 1.47610000e+01 3.53410000e+00 1.25230000e+00 5.54560000e-01 2.83350000e-01 9.80520000e-02 4.30740000e-02 9.82170000e-03 3.53610000e-03 8.97020000e-04 3.63450000e-04 1.89700000e-04 1.15520000e-04 5.65870000e-05 3.43580000e-05 1.54970000e-05] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 8.85020000e+04 8.51350000e+04 5.37530000e+04 2.63430000e+04 1.50290000e+04 9.47340000e+03 6.39700000e+03 3.35160000e+03 1.98740000e+03 1.56200000e+03 1.53210000e+03 7.35390000e+02 3.51690000e+02 1.19230000e+02 5.38650000e+01 2.86860000e+01 1.70060000e+01 7.36060000e+00 3.81200000e+00 1.14160000e+00 4.85880000e-01 1.49290000e-01 6.69530000e-02 3.70880000e-02 2.34690000e-02 1.20090000e-02 7.47590000e-03 3.47660000e-03] JK = 7.2396363076 M1 = [ 3.34040000e+04 2.37240000e+04 2.33950000e+04 2.26500000e+04 2.23340000e+04 1.86120000e+04 1.83480000e+04 1.64510000e+04 9.61950000e+03 4.31930000e+03 2.37650000e+03 1.47080000e+03 9.83110000e+02 5.10040000e+02 3.01150000e+02 2.36400000e+02 2.31870000e+02 1.11100000e+02 5.31480000e+01 1.80660000e+01 8.18220000e+00 4.36600000e+00 2.59250000e+00 1.12470000e+00 5.82840000e-01 1.74950000e-01 7.45640000e-02 2.29450000e-02 1.02970000e-02 5.70520000e-03 3.61070000e-03 1.84780000e-03 1.15030000e-03 5.34870000e-04] all other = [ 5.00200000e+03 3.40910000e+03 3.35640000e+03 3.23740000e+03 3.18710000e+03 2.60110000e+03 2.56010000e+03 2.26880000e+03 1.25250000e+03 5.20810000e+02 2.72310000e+02 1.62560000e+02 1.05770000e+02 5.30170000e+01 3.05270000e+01 2.37210000e+01 2.32480000e+01 1.08540000e+01 5.08840000e+00 1.69290000e+00 7.58090000e-01 4.01690000e-01 2.37380000e-01 1.02360000e-01 5.29040000e-02 1.58050000e-02 6.72020000e-03 2.06320000e-03 9.24980000e-04 5.12210000e-04 3.24070000e-04 1.65840000e-04 1.03280000e-04 4.81680000e-05] total = [ 2.27550000e+05 1.41520000e+05 5.68360000e+05 6.04540000e+05 8.13780000e+05 6.85610000e+05 7.60090000e+05 6.59540000e+05 3.26350000e+05 1.15410000e+05 5.37910000e+04 2.94220000e+04 1.78620000e+04 8.04840000e+03 4.30640000e+03 3.24450000e+03 2.34890000e+04 1.09050000e+04 4.99610000e+03 1.61010000e+03 7.04530000e+02 3.67010000e+02 2.14080000e+02 9.06140000e+01 4.62470000e+01 1.35590000e+01 5.70600000e+00 1.73320000e+00 7.73130000e-01 4.27030000e-01 2.69820000e-01 1.37920000e-01 8.58450000e-02 3.99470000e-02] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.03170000e+04 9.54190000e+03 4.39980000e+03 1.42690000e+03 6.26120000e+02 3.26640000e+02 1.90700000e+02 8.07960000e+01 4.12550000e+01 1.21010000e+01 5.09320000e+00 1.54720000e+00 6.90210000e-01 3.81250000e-01 2.40920000e-01 1.23170000e-01 7.66840000e-02 3.56980000e-02] [Ge.binding] K = 11.0667 L1 = 1.4024 M5 = 0.0382 M4 = 0.0388 M1 = 0.1793 L3 = 1.2228 M3 = 0.125 M2 = 0.1294 L2 = 1.2555 [Gd] JL1 = 1.13176068087 JL3 = 2.69403501009 JL2 = 1.34309853394 energy = [ 1.00000000e+00 1.19850000e+00 1.20800000e+00 1.23040000e+00 1.24020000e+00 1.50000000e+00 1.54020000e+00 1.55260000e+00 1.68560000e+00 1.69910000e+00 1.86330000e+00 1.87820000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 7.23520000e+00 7.29310000e+00 7.93930000e+00 8.00000000e+00 8.00290000e+00 8.34300000e+00 8.40980000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 5.02620000e+01 5.06650000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 5.42264266097 M5 = [ 0.00000000e+00 0.00000000e+00 3.81110000e+05 9.35090000e+05 9.72440000e+05 6.16390000e+05 5.76390000e+05 5.64820000e+05 4.57220000e+05 4.47840000e+05 3.54180000e+05 3.46920000e+05 2.94070000e+05 9.18400000e+04 3.79200000e+04 1.85120000e+04 1.01100000e+04 5.33880000e+03 5.19350000e+03 3.86460000e+03 3.76310000e+03 3.75830000e+03 3.24750000e+03 3.15750000e+03 1.70300000e+03 3.81820000e+02 1.26990000e+02 2.56400000e+01 8.02170000e+00 3.22220000e+00 3.15380000e+00 3.05230000e+00 1.52250000e+00 4.65570000e-01 1.86330000e-01 3.62740000e-02 1.17940000e-02 2.62670000e-03 9.78520000e-04 4.79380000e-04 2.77270000e-04 1.25720000e-04 7.36420000e-05 2.97210000e-05] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.44990000e+05 4.26470000e+05 3.99250000e+05 3.91370000e+05 3.17970000e+05 3.11550000e+05 2.47130000e+05 2.42050000e+05 2.05760000e+05 6.53900000e+04 2.72980000e+04 1.34470000e+04 7.39880000e+03 3.93930000e+03 3.83360000e+03 2.86350000e+03 2.78910000e+03 2.78560000e+03 2.41160000e+03 2.34570000e+03 1.27570000e+03 2.92170000e+02 9.88510000e+01 2.05170000e+01 6.56300000e+00 2.68610000e+00 2.63030000e+00 2.54740000e+00 1.28980000e+00 4.05020000e-01 1.65480000e-01 3.33270000e-02 1.10200000e-02 2.46360000e-03 9.00970000e-04 4.32510000e-04 2.44240000e-04 1.04500000e-04 5.71220000e-05 2.18600000e-05] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.27550000e+04 3.98590000e+04 2.23520000e+04 1.40550000e+04 9.56010000e+03 6.88660000e+03 4.86170000e+03 4.78860000e+03 4.07240000e+03 4.01340000e+03 4.01060000e+03 3.70240000e+03 3.64580000e+03 2.59540000e+03 1.13320000e+03 6.12260000e+02 2.46990000e+02 1.26060000e+02 7.36310000e+01 7.26970000e+01 7.12950000e+01 4.69830000e+01 2.27330000e+01 1.27810000e+01 4.39440000e+00 2.04310000e+00 6.99870000e-01 3.34470000e-01 1.92760000e-01 1.25040000e-01 6.55970000e-02 4.11170000e-02 1.89110000e-02] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.89150000e+05 1.68200000e+05 1.66550000e+05 1.45360000e+05 1.43520000e+05 1.29600000e+05 6.45680000e+04 3.64760000e+04 2.25790000e+04 1.49340000e+04 9.58430000e+03 9.40060000e+03 7.63850000e+03 7.49650000e+03 7.48980000e+03 6.75480000e+03 6.62150000e+03 4.26360000e+03 1.43890000e+03 6.37090000e+02 1.90980000e+02 7.84280000e+01 3.86620000e+01 3.80200000e+01 3.70620000e+01 2.14910000e+01 8.39740000e+00 4.02160000e+00 1.05280000e+00 4.11450000e-01 1.14260000e-01 4.83760000e-02 2.58120000e-02 1.58520000e-02 7.76940000e-03 4.68240000e-03 2.05440000e-03] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 7.08280000e+04 6.35330000e+04 6.29910000e+04 5.82260000e+04 3.19280000e+04 1.90110000e+04 1.22040000e+04 8.29590000e+03 5.46790000e+03 5.36950000e+03 4.41330000e+03 4.33560000e+03 4.33190000e+03 3.92930000e+03 3.85620000e+03 2.54250000e+03 9.06310000e+02 4.17370000e+02 1.32570000e+02 5.68680000e+01 2.90480000e+01 2.85910000e+01 2.79060000e+01 1.66440000e+01 6.83790000e+00 3.41090000e+00 9.63860000e-01 3.97410000e-01 1.18080000e-01 5.18630000e-02 2.82230000e-02 1.75680000e-02 8.68350000e-03 5.23460000e-03 2.28450000e-03] total = [ 5.95740000e+05 4.23950000e+05 7.98570000e+05 1.33800000e+06 1.61410000e+06 1.31400000e+06 1.23240000e+06 1.39790000e+06 1.15620000e+06 1.20600000e+06 9.82140000e+05 1.00730000e+06 8.75040000e+05 3.35290000e+05 1.64790000e+05 9.37860000e+04 5.87700000e+04 3.61610000e+04 9.74190000e+04 7.82370000e+04 1.05080000e+05 1.04990000e+05 9.47020000e+04 1.07180000e+05 6.93830000e+04 2.37600000e+04 1.09450000e+04 3.59930000e+03 1.61690000e+03 8.64650000e+02 8.52020000e+02 4.62020000e+03 2.95450000e+03 1.37280000e+03 7.47260000e+02 2.43090000e+02 1.09260000e+02 3.60430000e+01 1.69060000e+01 9.64680000e+00 6.22600000e+00 3.25210000e+00 2.03700000e+00 9.38460000e-01] JM2 = 1.04307213285 JM3 = 1.13429081467 K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.78710000e+03 2.43750000e+03 1.14410000e+03 6.26040000e+02 2.04850000e+02 9.22910000e+01 3.05090000e+01 1.43280000e+01 8.18360000e+00 5.28630000e+00 2.76540000e+00 1.73420000e+00 8.00410000e-01] JM1 = 1.02561752907 M = [ 0.00000000e+00 0.00000000e+00 3.81110000e+05 9.35090000e+05 1.21740000e+06 1.04290000e+06 9.75640000e+05 1.14530000e+06 9.43400000e+05 9.96780000e+05 8.10200000e+05 8.38240000e+05 7.27510000e+05 2.76080000e+05 1.34760000e+05 7.63020000e+04 4.76250000e+04 2.91920000e+04 2.85860000e+04 2.28520000e+04 2.23980000e+04 2.23760000e+04 2.00460000e+04 1.96270000e+04 1.23800000e+04 4.15240000e+03 1.89260000e+03 6.16710000e+02 2.75940000e+02 1.47250000e+02 1.45090000e+02 1.41860000e+02 8.79300000e+01 3.88390000e+01 2.05660000e+01 6.48060000e+00 2.87480000e+00 9.37300000e-01 4.36590000e-01 2.47700000e-01 1.58980000e-01 8.22800000e-02 5.11650000e-02 2.33020000e-02] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 6.20030000e+04 4.98780000e+04 7.72770000e+04 7.72190000e+04 6.98050000e+04 8.27980000e+04 5.39570000e+04 1.85550000e+04 8.56400000e+03 2.82010000e+03 1.26740000e+03 6.77810000e+02 6.67910000e+02 6.53070000e+02 4.05300000e+02 1.79300000e+02 9.50220000e+01 2.99660000e+01 1.32950000e+01 4.33520000e+00 2.01980000e+00 1.14630000e+00 7.36230000e-01 3.81380000e-01 2.37360000e-01 1.08220000e-01] JM4 = 1.20635276532 JM5 = 1.88364193891 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.84050000e+04 2.83950000e+04 2.59760000e+04 2.53770000e+04 1.63280000e+04 5.30530000e+03 2.31370000e+03 6.88040000e+02 2.83960000e+02 1.41430000e+02 1.39130000e+02 1.35680000e+02 7.95740000e+01 3.19050000e+01 1.56680000e+01 4.32960000e+00 1.76410000e+00 5.17790000e-01 2.26090000e-01 1.22630000e-01 7.60680000e-02 3.74730000e-02 2.25570000e-02 9.82140000e-03] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 6.20030000e+04 4.98780000e+04 4.88720000e+04 4.88250000e+04 4.38290000e+04 4.29370000e+04 2.67770000e+04 8.19770000e+03 3.43030000e+03 9.63370000e+02 3.81020000e+02 1.83180000e+02 1.80050000e+02 1.75360000e+02 1.00040000e+02 3.81780000e+01 1.80100000e+01 4.61490000e+00 1.78330000e+00 4.89550000e-01 2.06110000e-01 1.09610000e-01 6.73100000e-02 3.29580000e-02 1.98590000e-02 8.67770000e-03] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.44830000e+04 1.08510000e+04 5.05240000e+03 2.82000000e+03 1.16870000e+03 6.02400000e+02 3.53200000e+02 3.48730000e+02 3.42030000e+02 2.25680000e+02 1.09220000e+02 6.13440000e+01 2.10220000e+01 9.74750000e+00 3.32780000e+00 1.58760000e+00 9.14080000e-01 5.92850000e-01 3.10950000e-01 1.94950000e-01 8.97180000e-02] all other = [ 5.95740000e+05 4.23950000e+05 4.17460000e+05 4.02880000e+05 3.96670000e+05 2.71130000e+05 2.56770000e+05 2.52580000e+05 2.12790000e+05 2.09240000e+05 1.71940000e+05 1.69020000e+05 1.47520000e+05 5.92100000e+04 3.00330000e+04 1.74840000e+04 1.11450000e+04 6.96900000e+03 6.82990000e+03 5.50630000e+03 5.40060000e+03 5.39560000e+03 4.85230000e+03 4.75440000e+03 3.04540000e+03 1.05240000e+03 4.88300000e+02 1.62530000e+02 7.36040000e+01 3.95930000e+01 3.90200000e+01 3.81610000e+01 2.37800000e+01 1.05870000e+01 5.63530000e+00 1.78940000e+00 7.96820000e-01 2.60950000e-01 1.21820000e-01 6.92050000e-02 4.44670000e-02 2.30360000e-02 1.43350000e-02 6.53240000e-03] [Gd.binding] K = 50.3123 L1 = 8.3513 M5 = 1.1996 M4 = 1.2316 M1 = 1.8652 L3 = 7.2424 M3 = 1.5418 M2 = 1.6873 L2 = 7.9473 [Ga] JL1 = 1.11063254906 JL3 = 3.83149448345 JL2 = 1.29864065581 energy = [ 1.00000000e+00 1.12090000e+00 1.12990000e+00 1.14930000e+00 1.15850000e+00 1.28950000e+00 1.29980000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.03210000e+01 1.04040000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 3.58110000e+04 2.81910000e+04 2.77140000e+04 2.67170000e+04 2.62610000e+04 2.07450000e+04 2.03780000e+04 1.46830000e+04 7.31440000e+03 2.53610000e+03 1.13950000e+03 5.96980000e+02 3.46330000e+02 1.42550000e+02 7.00020000e+01 6.32060000e+01 6.15930000e+01 1.83940000e+01 6.91470000e+00 1.68020000e+00 6.03610000e-01 2.70670000e-01 1.40390000e-01 4.96650000e-02 2.22420000e-02 5.26730000e-03 1.94680000e-03 5.07440000e-04 2.06640000e-04 1.06980000e-04 6.41910000e-05 3.03280000e-05 1.77580000e-05 7.46180000e-06] M = [ 1.92840000e+05 1.47070000e+05 1.44290000e+05 1.38520000e+05 1.35900000e+05 1.04910000e+05 1.02900000e+05 7.24410000e+04 3.52460000e+04 1.23900000e+04 5.79600000e+03 3.18560000e+03 1.94230000e+03 8.80930000e+02 4.73340000e+02 4.33270000e+02 4.23700000e+02 1.50720000e+02 6.61550000e+01 2.03890000e+01 8.74140000e+00 4.50280000e+00 2.60860000e+00 1.09460000e+00 5.56350000e-01 1.62320000e-01 6.81700000e-02 2.06630000e-02 9.20420000e-03 5.07680000e-03 3.20370000e-03 1.63400000e-03 1.01530000e-03 4.71150000e-04] L = [ 0.00000000e+00 0.00000000e+00 4.26260000e+05 5.33700000e+05 7.37820000e+05 6.40790000e+05 7.25550000e+05 5.14510000e+05 2.54580000e+05 8.93420000e+04 4.14220000e+04 2.25790000e+04 1.36720000e+04 6.13770000e+03 3.27500000e+03 2.99500000e+03 2.92820000e+03 1.03200000e+03 4.50080000e+02 1.37640000e+02 5.87430000e+01 3.01690000e+01 1.74400000e+01 7.30300000e+00 3.70480000e+00 1.07800000e+00 4.52030000e-01 1.36800000e-01 6.08870000e-02 3.35790000e-02 2.11860000e-02 1.08040000e-02 6.71300000e-03 3.11540000e-03] M5 = [ 3.33700000e+04 2.29260000e+04 2.23260000e+04 2.10940000e+04 2.05400000e+04 1.43170000e+04 1.39340000e+04 8.50920000e+03 3.06130000e+03 6.78500000e+02 2.22860000e+02 9.15990000e+01 4.35640000e+01 1.31010000e+01 5.05410000e+00 4.41140000e+00 4.26250000e+00 8.61100000e-01 2.41120000e-01 3.89100000e-02 1.05260000e-02 3.81270000e-03 1.66720000e-03 4.55010000e-04 1.68340000e-04 2.88190000e-05 8.67850000e-06 1.78100000e-06 6.41290000e-07 3.07070000e-07 1.78070000e-07 8.09360000e-08 4.66500000e-08 1.99150000e-08] M4 = [ 2.28290000e+04 1.57010000e+04 1.52910000e+04 1.44490000e+04 1.40710000e+04 9.81820000e+03 9.55600000e+03 5.84410000e+03 2.10900000e+03 4.69650000e+02 1.54830000e+02 6.38490000e+01 3.04590000e+01 9.21150000e+00 3.57030000e+00 3.11820000e+00 3.01320000e+00 6.18090000e-01 1.74630000e-01 2.86240000e-02 7.84530000e-03 2.87530000e-03 1.26900000e-03 3.52250000e-04 1.31850000e-04 2.30280000e-05 6.98040000e-06 1.40860000e-06 4.86950000e-07 2.24650000e-07 1.22630000e-07 5.07960000e-08 2.72960000e-08 9.99220000e-09] L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.06650000e+05 2.18300000e+05 2.13800000e+05 1.47820000e+05 6.99280000e+04 2.24260000e+04 9.58600000e+03 4.85150000e+03 2.74440000e+03 1.09160000e+03 5.24420000e+02 4.72180000e+02 4.59820000e+02 1.33520000e+02 4.93060000e+01 1.17470000e+01 4.17670000e+00 1.86150000e+00 9.59730000e-01 3.37390000e-01 1.50510000e-01 3.54470000e-02 1.30600000e-02 3.39200000e-03 1.37780000e-03 7.14960000e-04 4.28990000e-04 2.02850000e-04 1.18800000e-04 5.00980000e-05] L3 = [ 0.00000000e+00 0.00000000e+00 4.26260000e+05 5.33700000e+05 5.31170000e+05 4.22500000e+05 4.13720000e+05 2.85090000e+05 1.33490000e+05 4.22740000e+04 1.79040000e+04 8.99640000e+03 5.05830000e+03 1.99160000e+03 9.48680000e+02 8.53120000e+02 8.30520000e+02 2.37390000e+02 8.64290000e+01 2.01160000e+01 7.01420000e+00 3.07340000e+00 1.56070000e+00 5.34370000e-01 2.33140000e-01 5.26200000e-02 1.88400000e-02 4.75420000e-03 1.92240000e-03 9.99660000e-04 6.08660000e-04 2.97340000e-04 1.80750000e-04 8.14420000e-05] M3 = [ 6.97290000e+04 5.46840000e+04 5.37440000e+04 5.17820000e+04 5.08850000e+04 4.00590000e+04 3.93400000e+04 2.82190000e+04 1.39360000e+04 4.77270000e+03 2.12530000e+03 1.10540000e+03 6.37370000e+02 2.59640000e+02 1.26410000e+02 1.13990000e+02 1.11040000e+02 3.26310000e+01 1.20910000e+01 2.86990000e+00 1.01130000e+00 4.46050000e-01 2.27200000e-01 7.82620000e-02 3.42770000e-02 7.77750000e-03 2.79200000e-03 7.06360000e-04 2.85850000e-04 1.48940000e-04 9.07150000e-05 4.44130000e-05 2.70180000e-05 1.22070000e-05] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 9.80270000e+04 8.16030000e+04 5.11650000e+04 2.46430000e+04 1.39330000e+04 8.73080000e+03 5.86920000e+03 3.05450000e+03 1.80180000e+03 1.66970000e+03 1.63790000e+03 6.61080000e+02 3.14350000e+02 1.05770000e+02 4.75520000e+01 2.52340000e+01 1.49190000e+01 6.43120000e+00 3.32110000e+00 9.89920000e-01 4.20130000e-01 1.28650000e-01 5.75870000e-02 3.18640000e-02 2.01490000e-02 1.03040000e-02 6.41340000e-03 2.98390000e-03] JK = 7.3145409199 M1 = [ 3.11050000e+04 2.55670000e+04 2.52160000e+04 2.44780000e+04 2.41400000e+04 1.99740000e+04 1.96910000e+04 1.51850000e+04 8.82550000e+03 3.93320000e+03 2.15350000e+03 1.32770000e+03 8.84590000e+02 4.56430000e+02 2.68310000e+02 2.48550000e+02 2.43790000e+02 9.82110000e+01 4.67330000e+01 1.57710000e+01 7.10810000e+00 3.77940000e+00 2.23810000e+00 9.65910000e-01 4.99530000e-01 1.49230000e-01 6.34150000e-02 1.94460000e-02 8.71050000e-03 4.82040000e-03 3.04850000e-03 1.55910000e-03 9.70430000e-04 4.51450000e-04] all other = [ 3.06430000e+03 2.48180000e+03 2.44500000e+03 2.36790000e+03 2.33260000e+03 1.90240000e+03 1.87350000e+03 1.41880000e+03 7.97810000e+02 3.41150000e+02 1.82090000e+02 1.10360000e+02 7.29440000e+01 3.70120000e+01 2.15240000e+01 1.99110000e+01 1.95230000e+01 7.75860000e+00 3.66210000e+00 1.22550000e+00 5.49910000e-01 2.91600000e-01 1.72360000e-01 7.42950000e-02 3.83740000e-02 1.14440000e-02 4.85940000e-03 1.48900000e-03 6.66720000e-04 3.68940000e-04 2.33350000e-04 1.19410000e-04 7.43960000e-05 3.47760000e-05] total = [ 1.95910000e+05 1.49550000e+05 5.73000000e+05 6.74590000e+05 8.76050000e+05 7.47610000e+05 8.30320000e+05 5.88370000e+05 2.90620000e+05 1.02070000e+05 4.74000000e+04 2.58750000e+04 1.56870000e+04 7.05570000e+03 3.76980000e+03 3.44820000e+03 2.52220000e+04 9.76280000e+03 4.46030000e+03 1.42670000e+03 6.21860000e+02 3.23000000e+02 1.88020000e+02 7.93400000e+01 4.04060000e+01 1.18040000e+01 4.95610000e+00 1.50130000e+00 6.68610000e-01 3.68930000e-01 2.32970000e-01 1.19010000e-01 7.40680000e-02 3.44820000e-02] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.18510000e+04 8.57240000e+03 3.94040000e+03 1.26750000e+03 5.53830000e+02 2.88030000e+02 1.67790000e+02 7.08680000e+01 3.61070000e+01 1.05520000e+01 4.43110000e+00 1.34230000e+00 5.97850000e-01 3.29910000e-01 2.08340000e-01 1.06450000e-01 6.62660000e-02 3.08610000e-02] [Ga.binding] K = 10.3312 L1 = 1.2908 M5 = 0.0269 M4 = 0.0274 M1 = 0.1578 L3 = 1.122 M3 = 0.1073 M2 = 0.111 L2 = 1.1504 [Pr] JL1 = 1.13093440698 JL3 = 2.78465057654 JL2 = 1.33759810988 energy = [ 1.00000000e+00 1.22710000e+00 1.23690000e+00 1.32460000e+00 1.33520000e+00 1.47900000e+00 1.49090000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 5.94820000e+00 5.99580000e+00 6.00000000e+00 6.43670000e+00 6.48820000e+00 6.79380000e+00 6.84820000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 4.19730000e+01 4.23090000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 5.64355740893 M5 = [ 1.20380000e+06 7.19990000e+05 7.06100000e+05 5.95970000e+05 5.84160000e+05 4.53830000e+05 4.44770000e+05 4.37940000e+05 1.99860000e+05 5.98530000e+04 2.40810000e+04 1.15260000e+04 6.38260000e+03 6.20940000e+03 6.19460000e+03 4.85600000e+03 4.72290000e+03 4.02020000e+03 3.90910000e+03 2.25160000e+03 1.00100000e+03 2.17170000e+02 7.05750000e+01 1.38280000e+01 4.24210000e+00 3.47550000e+00 3.36250000e+00 1.67940000e+00 7.84990000e-01 2.36260000e-01 9.35580000e-02 1.79150000e-02 5.76750000e-03 1.27060000e-03 4.67720000e-04 2.29110000e-04 1.33540000e-04 6.08880000e-05 3.46260000e-05 1.46410000e-05] M4 = [ 8.35010000e+05 4.94720000e+05 4.85350000e+05 4.10880000e+05 4.02880000e+05 3.13830000e+05 3.07600000e+05 3.02930000e+05 1.39880000e+05 4.24570000e+04 1.72530000e+04 8.32210000e+03 4.63760000e+03 4.51310000e+03 4.50240000e+03 3.53820000e+03 3.44230000e+03 2.93580000e+03 2.85560000e+03 1.65500000e+03 7.42700000e+02 1.64290000e+02 5.42360000e+01 1.09020000e+01 3.41430000e+00 2.80770000e+00 2.71810000e+00 1.37570000e+00 6.52850000e-01 2.01440000e-01 8.13260000e-02 1.60680000e-02 5.25030000e-03 1.15680000e-03 4.22650000e-04 2.00600000e-04 1.12250000e-04 4.83280000e-05 2.64820000e-05 1.00980000e-05] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.39540000e+04 5.37910000e+04 3.64300000e+04 1.95930000e+04 1.20140000e+04 8.04710000e+03 5.82660000e+03 5.73930000e+03 5.73180000e+03 5.01650000e+03 4.94080000e+03 4.52370000e+03 4.45460000e+03 3.28890000e+03 2.10270000e+03 9.00500000e+02 4.79610000e+02 1.89490000e+02 9.52710000e+01 8.47230000e+01 8.30870000e+01 5.50040000e+01 3.47660000e+01 1.65760000e+01 9.21620000e+00 3.10810000e+00 1.42670000e+00 4.80790000e-01 2.27510000e-01 1.30220000e-01 8.41400000e-02 4.39480000e-02 2.75070000e-02 1.26630000e-02] M3 = [ 0.00000000e+00 0.00000000e+00 2.22650000e+05 2.05810000e+05 2.04120000e+05 1.77830000e+05 1.75700000e+05 1.74080000e+05 1.10940000e+05 5.23760000e+04 2.86850000e+04 1.73810000e+04 1.15430000e+04 1.13230000e+04 1.13040000e+04 9.53400000e+03 9.34980000e+03 8.34680000e+03 8.18330000e+03 5.53160000e+03 3.08720000e+03 1.00870000e+03 4.36670000e+02 1.27010000e+02 5.11320000e+01 4.38050000e+01 4.26950000e+01 2.48390000e+01 1.36500000e+01 5.24400000e+00 2.48120000e+00 6.37010000e-01 2.46050000e-01 6.74430000e-02 2.83880000e-02 1.50550000e-02 9.24740000e-03 4.54140000e-03 2.73860000e-03 1.20850000e-03] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 8.68470000e+04 7.87850000e+04 7.81010000e+04 7.75640000e+04 5.26200000e+04 2.67910000e+04 1.52720000e+04 9.51800000e+03 6.45510000e+03 6.33810000e+03 6.32810000e+03 5.37830000e+03 5.27920000e+03 4.73950000e+03 4.65120000e+03 3.20020000e+03 1.83220000e+03 6.26870000e+02 2.80740000e+02 8.59130000e+01 3.59520000e+01 3.10090000e+01 3.02560000e+01 1.80310000e+01 1.01840000e+01 4.09530000e+00 2.01130000e+00 5.53930000e-01 2.24730000e-01 6.54640000e-02 2.84330000e-02 1.53770000e-02 9.50810000e-03 4.66570000e-03 2.80070000e-03 1.21460000e-03] total = [ 2.47400000e+06 1.50950000e+06 1.70430000e+06 1.46580000e+06 1.52710000e+06 1.22640000e+06 1.25900000e+06 1.24260000e+06 6.45730000e+05 2.43220000e+05 1.18560000e+05 6.71170000e+04 4.28420000e+04 1.19300000e+05 1.19210000e+05 9.98880000e+04 1.33610000e+05 1.19220000e+05 1.34830000e+05 9.14900000e+04 5.09160000e+04 1.72680000e+04 7.87960000e+03 2.56220000e+03 1.14280000e+03 9.97580000e+02 5.62990000e+03 3.62110000e+03 2.23780000e+03 1.02130000e+03 5.50120000e+02 1.76100000e+02 7.83650000e+01 2.55260000e+01 1.18790000e+01 6.74190000e+00 4.33560000e+00 2.25610000e+00 1.41110000e+00 6.50800000e-01] JM2 = 1.04182016646 JM3 = 1.12904935409 K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.65450000e+03 3.01330000e+03 1.87590000e+03 8.62310000e+02 4.66290000e+02 1.49930000e+02 6.68370000e+01 2.18050000e+01 1.01560000e+01 5.76840000e+00 3.71210000e+00 1.93390000e+00 1.21080000e+00 5.59270000e-01] JM1 = 1.02658186562 M = [ 2.03880000e+06 1.21470000e+06 1.41410000e+06 1.21270000e+06 1.27800000e+06 1.02430000e+06 1.06010000e+06 1.04630000e+06 5.39730000e+05 2.01070000e+05 9.73050000e+04 5.47940000e+04 3.48450000e+04 3.41230000e+04 3.40610000e+04 2.83230000e+04 2.77350000e+04 2.45660000e+04 2.40540000e+04 1.59270000e+04 8.76580000e+03 2.91750000e+03 1.32180000e+03 4.27140000e+02 1.90010000e+02 1.65820000e+02 1.62120000e+02 1.00930000e+02 6.00380000e+01 2.63530000e+01 1.38840000e+01 4.33300000e+00 1.90850000e+00 6.16120000e-01 2.85220000e-01 1.61080000e-01 1.03140000e-01 5.32640000e-02 3.31070000e-02 1.51110000e-02] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 7.73340000e+04 7.73270000e+04 6.50090000e+04 9.94470000e+04 8.89350000e+04 1.05170000e+05 7.17950000e+04 4.00380000e+04 1.36270000e+04 6.22400000e+03 2.02500000e+03 9.03280000e+02 7.88470000e+02 7.70900000e+02 4.80420000e+02 2.86030000e+02 1.25670000e+02 6.62310000e+01 2.06730000e+01 9.10400000e+00 2.93830000e+00 1.36020000e+00 7.68590000e-01 4.92280000e-01 2.54380000e-01 1.58210000e-01 7.22940000e-02] L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.58320000e+04 3.24640000e+04 3.17350000e+04 2.14070000e+04 1.16140000e+04 3.65140000e+03 1.55590000e+03 4.48770000e+02 1.81480000e+02 1.55730000e+02 1.51820000e+02 8.89980000e+01 4.94770000e+01 1.94810000e+01 9.43890000e+00 2.55000000e+00 1.02410000e+00 2.95270000e-01 1.27620000e-01 6.86950000e-02 4.23920000e-02 2.07590000e-02 1.24330000e-02 5.40090000e-03] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 7.73340000e+04 7.73270000e+04 6.50090000e+04 6.36150000e+04 5.64710000e+04 5.53340000e+04 3.63890000e+04 1.91110000e+04 5.74990000e+03 2.36450000e+03 6.48670000e+02 2.52530000e+02 2.15250000e+02 2.09630000e+02 1.20020000e+02 6.49430000e+01 2.44440000e+01 1.14160000e+01 2.87700000e+00 1.10040000e+00 2.98640000e-01 1.25080000e-01 6.63110000e-02 4.06740000e-02 1.99320000e-02 1.20230000e-02 5.28400000e-03] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.81050000e+04 1.40000000e+04 9.31290000e+03 4.22550000e+03 2.30350000e+03 9.27520000e+02 4.69280000e+02 4.17490000e+02 4.09450000e+02 2.71400000e+02 1.71620000e+02 8.17400000e+01 4.53760000e+01 1.52460000e+01 6.97950000e+00 2.34440000e+00 1.10750000e+00 6.33580000e-01 4.09210000e-01 2.13690000e-01 1.33750000e-01 6.16090000e-02] all other = [ 4.35240000e+05 2.94760000e+05 2.90170000e+05 2.53160000e+05 2.49120000e+05 2.02140000e+05 1.98820000e+05 1.96320000e+05 1.06010000e+05 4.21530000e+04 2.12600000e+04 1.23230000e+04 7.99750000e+03 7.83900000e+03 7.82540000e+03 6.55620000e+03 6.42540000e+03 5.71830000e+03 5.60370000e+03 3.76670000e+03 2.11270000e+03 7.23870000e+02 3.33700000e+02 1.10050000e+02 4.95180000e+01 4.32880000e+01 4.23340000e+01 2.65040000e+01 1.58520000e+01 7.01060000e+00 3.71190000e+00 1.16620000e+00 5.15620000e-01 1.67130000e-01 7.75290000e-02 4.38530000e-02 2.81010000e-02 1.45250000e-02 9.03260000e-03 4.12630000e-03] [Pr.binding] K = 42.0148 L1 = 6.8006 M5 = 0.9347 M4 = 0.9559 M1 = 1.4805 L3 = 5.9542 M3 = 1.2283 M2 = 1.3259 L2 = 6.4431 [Pt] JL1 = 1.13206801107 JL3 = 2.50929229238 JL2 = 1.36151500106 energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 2.12660000e+00 2.14360000e+00 2.21020000e+00 2.22790000e+00 2.63420000e+00 2.65530000e+00 3.00000000e+00 3.01960000e+00 3.04380000e+00 3.27190000e+00 3.29810000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.15550000e+01 1.16470000e+01 1.33010000e+01 1.34070000e+01 1.38550000e+01 1.39650000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 7.85770000e+01 7.92060000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 4.81963152191 M5 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 8.60410000e+04 4.94660000e+05 4.95930000e+05 3.29380000e+05 3.22320000e+05 2.30540000e+05 2.26420000e+05 2.21470000e+05 1.82530000e+05 1.78630000e+05 1.02990000e+05 5.29130000e+04 3.00680000e+04 1.18810000e+04 5.62780000e+03 3.42540000e+03 3.33200000e+03 2.09350000e+03 2.03530000e+03 1.81210000e+03 1.76150000e+03 1.36550000e+03 4.79700000e+02 1.04440000e+02 3.43630000e+01 1.43200000e+01 6.96180000e+00 2.38420000e+00 2.30970000e+00 2.21990000e+00 9.15020000e-01 1.86410000e-01 6.20620000e-02 1.42390000e-02 5.37170000e-03 2.65030000e-03 1.54160000e-03 6.96630000e-04 4.01910000e-04 1.63690000e-04] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.93110000e+04 2.34380000e+05 2.29480000e+05 1.65260000e+05 1.62360000e+05 1.58870000e+05 1.30360000e+05 1.28290000e+05 7.50800000e+04 3.90660000e+04 2.24240000e+04 9.01030000e+03 4.32680000e+03 2.65910000e+03 2.58780000e+03 1.64080000e+03 1.59610000e+03 1.42410000e+03 1.38510000e+03 1.07920000e+03 3.87400000e+02 8.72560000e+01 2.94870000e+01 1.25650000e+01 6.22600000e+00 2.19520000e+00 2.12850000e+00 2.04790000e+00 8.64860000e-01 1.83550000e-01 6.25010000e-02 1.45430000e-02 5.44010000e-03 2.63390000e-03 1.49670000e-03 6.57190000e-04 3.60670000e-04 1.41850000e-04] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.30380000e+04 1.81790000e+04 1.30160000e+04 9.80840000e+03 6.03070000e+03 4.04390000e+03 3.09110000e+03 3.04520000e+03 2.36310000e+03 2.32700000e+03 2.18400000e+03 2.15060000e+03 1.87070000e+03 1.04920000e+03 4.46080000e+02 2.36410000e+02 1.42220000e+02 9.29600000e+01 4.87940000e+01 4.78600000e+01 4.67170000e+01 2.70390000e+01 9.78630000e+00 4.71130000e+00 1.68930000e+00 8.30770000e-01 4.87850000e-01 3.20570000e-01 1.70550000e-01 1.07450000e-01 4.93370000e-02] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.14950000e+05 9.81650000e+04 9.71730000e+04 9.59470000e+04 8.47910000e+04 8.35970000e+04 5.94660000e+04 3.91050000e+04 2.70850000e+04 1.44960000e+04 8.65220000e+03 6.11070000e+03 5.99240000e+03 4.30920000e+03 4.22380000e+03 3.88790000e+03 3.81000000e+03 3.17310000e+03 1.48560000e+03 4.80250000e+02 2.07550000e+02 1.06240000e+02 6.08250000e+01 2.62750000e+01 2.56260000e+01 2.48360000e+01 1.22780000e+01 3.38460000e+00 1.36430000e+00 3.92370000e-01 1.68940000e-01 9.07980000e-02 5.60330000e-02 2.74450000e-02 1.64480000e-02 7.12320000e-03] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.79940000e+04 3.50910000e+04 3.48250000e+04 2.67670000e+04 1.91500000e+04 1.39580000e+04 8.08060000e+03 5.08560000e+03 3.70890000e+03 3.64340000e+03 2.69850000e+03 2.64930000e+03 2.45520000e+03 2.41000000e+03 2.03860000e+03 1.01350000e+03 3.56450000e+02 1.63700000e+02 8.79510000e+01 5.24320000e+01 2.40860000e+01 2.35340000e+01 2.28610000e+01 1.19090000e+01 3.61670000e+00 1.56030000e+00 4.90130000e-01 2.22520000e-01 1.23700000e-01 7.80700000e-02 3.93680000e-02 2.40440000e-02 1.06680000e-02] total = [ 1.43230000e+06 6.39740000e+05 3.46440000e+05 3.02810000e+05 3.83580000e+05 7.72780000e+05 8.28490000e+05 7.51430000e+05 8.51040000e+05 6.33370000e+05 6.23280000e+05 6.49110000e+05 5.46790000e+05 5.60310000e+05 3.53550000e+05 2.04820000e+05 1.29950000e+05 6.25040000e+04 3.51310000e+04 2.41060000e+04 6.04890000e+04 4.22970000e+04 5.75880000e+04 5.31090000e+04 6.01230000e+04 5.00760000e+04 2.38030000e+04 8.10960000e+03 3.72440000e+03 2.02410000e+03 1.22580000e+03 5.81310000e+02 2.80170000e+03 2.70290000e+03 1.52090000e+03 5.18820000e+02 2.40020000e+02 8.21440000e+01 3.94500000e+01 2.28740000e+01 1.49250000e+01 7.89320000e+00 4.96680000e+00 2.28490000e+00] JM2 = 1.04144204852 JM3 = 1.13256058449 K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.23310000e+03 2.14980000e+03 1.22330000e+03 4.22290000e+02 1.96320000e+02 6.74820000e+01 3.24920000e+01 1.88770000e+01 1.23390000e+01 6.54210000e+00 4.12440000e+00 1.90220000e+00] JM1 = 1.02472612886 M = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 8.60410000e+04 4.94660000e+05 5.55240000e+05 5.63770000e+05 6.66750000e+05 4.93960000e+05 4.85940000e+05 5.14280000e+05 4.32770000e+05 4.48380000e+05 2.82480000e+05 1.63250000e+05 1.03340000e+05 4.94990000e+04 2.77360000e+04 1.89950000e+04 1.86010000e+04 1.31050000e+04 1.28310000e+04 1.17630000e+04 1.15170000e+04 9.52700000e+03 4.41540000e+03 1.47450000e+03 6.71510000e+02 3.63300000e+02 2.19400000e+02 1.03730000e+02 1.01460000e+02 9.86810000e+01 5.30060000e+01 1.71580000e+01 7.76040000e+00 2.60060000e+00 1.23300000e+00 7.07630000e-01 4.57710000e-01 2.38720000e-01 1.48700000e-01 6.74340000e-02] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.68810000e+04 2.56360000e+04 4.12730000e+04 3.81450000e+04 4.54710000e+04 3.79450000e+04 1.81630000e+04 6.21870000e+03 2.86110000e+03 1.55620000e+03 9.42880000e+02 4.47340000e+02 4.37550000e+02 4.25610000e+02 2.29050000e+02 7.43070000e+01 3.36430000e+01 1.12860000e+01 5.35650000e+00 3.07710000e+00 1.99220000e+00 1.04080000e+00 6.49160000e-01 2.94960000e-01] JM4 = 1.07209037501 JM5 = 1.26673491628 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.61690000e+04 1.51130000e+04 1.47620000e+04 1.21700000e+04 5.77230000e+03 1.87260000e+03 8.20000000e+02 4.26140000e+02 2.47950000e+02 1.10390000e+02 1.07770000e+02 1.04580000e+02 5.33060000e+01 1.56860000e+01 6.65260000e+00 2.05310000e+00 9.23850000e-01 5.10940000e-01 3.21460000e-01 1.61540000e-01 9.83190000e-02 4.35560000e-02] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.68810000e+04 2.56360000e+04 2.51040000e+04 2.30330000e+04 2.25520000e+04 1.85890000e+04 8.07710000e+03 2.41120000e+03 9.91810000e+02 4.91330000e+02 2.74670000e+02 1.15090000e+02 1.12150000e+02 1.08580000e+02 5.25660000e+01 1.40600000e+01 5.57710000e+00 1.57810000e+00 6.74140000e-01 3.60750000e-01 2.22040000e-01 1.08630000e-01 6.50850000e-02 2.81470000e-02] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 8.15710000e+03 7.18610000e+03 4.31330000e+03 1.93480000e+03 1.04920000e+03 6.38780000e+02 4.20250000e+02 2.21860000e+02 2.17630000e+02 2.12450000e+02 1.23180000e+02 4.45610000e+01 2.14130000e+01 7.65530000e+00 3.75860000e+00 2.20540000e+00 1.44870000e+00 7.70650000e-01 4.85750000e-01 2.23260000e-01] all other = [ 1.43230000e+06 6.39740000e+05 3.46440000e+05 3.02810000e+05 2.97540000e+05 2.78120000e+05 2.73250000e+05 1.87660000e+05 1.84300000e+05 1.39410000e+05 1.37330000e+05 1.34830000e+05 1.14020000e+05 1.11930000e+05 7.10660000e+04 4.15660000e+04 2.66110000e+04 1.30050000e+04 7.39500000e+03 5.11090000e+03 5.00740000e+03 3.55660000e+03 3.48400000e+03 3.20020000e+03 3.13470000e+03 2.60370000e+03 1.22520000e+03 4.16480000e+02 1.91800000e+02 1.04540000e+02 6.35030000e+01 3.02400000e+01 2.95820000e+01 2.87790000e+01 1.55370000e+01 5.06750000e+00 2.30210000e+00 7.74900000e-01 3.68300000e-01 2.11670000e-01 1.37030000e-01 7.15500000e-02 4.45940000e-02 2.02330000e-02] [Pt.binding] K = 78.6555 L1 = 13.8684 M5 = 2.1287 M4 = 2.2124 M1 = 3.2752 L3 = 11.5662 M3 = 2.6368 M2 = 3.0226 L2 = 13.3141 [Pu] JL1 = 1.1326415758 JL3 = 2.31953672661 JL2 = 1.39503003072 energy = [ 1.00000000e+00 1.10490000e+00 1.11370000e+00 1.36990000e+00 1.38090000e+00 1.50000000e+00 1.53520000e+00 1.54750000e+00 2.00000000e+00 3.00000000e+00 3.77240000e+00 3.80260000e+00 3.97350000e+00 4.00000000e+00 4.00530000e+00 4.54490000e+00 4.58130000e+00 5.00000000e+00 5.54460000e+00 5.58900000e+00 5.90590000e+00 5.95320000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 1.80510000e+01 1.81960000e+01 2.00000000e+01 2.23520000e+01 2.25310000e+01 2.31370000e+01 2.33220000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.22440000e+02 1.23420000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 4.06509865669 M5 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.65260000e+05 2.33270000e+05 2.29200000e+05 2.28420000e+05 1.65660000e+05 1.62090000e+05 1.26490000e+05 9.30130000e+04 9.09810000e+04 7.79180000e+04 7.61420000e+04 7.44250000e+04 3.11870000e+04 1.54320000e+04 4.04540000e+03 2.14300000e+03 2.08440000e+03 1.49800000e+03 1.01170000e+03 9.83360000e+02 8.94610000e+02 8.69530000e+02 3.50260000e+02 1.21000000e+02 5.22960000e+01 2.61640000e+01 8.69890000e+00 3.69860000e+00 1.70530000e+00 1.65420000e+00 7.89330000e-01 2.70950000e-01 6.37760000e-02 2.43350000e-02 1.20570000e-02 7.06640000e-03 3.20610000e-03 1.81400000e-03 7.49500000e-04] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.63300000e+05 1.66950000e+05 1.21690000e+05 1.19270000e+05 9.44440000e+04 7.04050000e+04 6.88030000e+04 5.85560000e+04 5.73000000e+04 5.60910000e+04 2.41870000e+04 1.21890000e+04 3.31110000e+03 1.78490000e+03 1.73760000e+03 1.26070000e+03 8.60990000e+02 8.37620000e+02 7.64110000e+02 7.43260000e+02 3.07500000e+02 1.09760000e+02 4.87300000e+01 2.49400000e+01 8.60330000e+00 3.76400000e+00 1.77990000e+00 1.72830000e+00 8.43760000e-01 2.98100000e-01 7.19460000e-02 2.75150000e-02 1.35200000e-02 7.85140000e-03 3.46460000e-03 1.93470000e-03 7.56920000e-04] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.11050000e+04 1.08580000e+04 7.36320000e+03 5.27490000e+03 2.66360000e+03 1.90670000e+03 1.87870000e+03 1.57560000e+03 1.27500000e+03 1.25550000e+03 1.19270000e+03 1.17440000e+03 7.13940000e+02 3.94330000e+02 2.44770000e+02 1.64070000e+02 8.57830000e+01 5.11910000e+01 3.17770000e+01 3.11820000e+01 1.95830000e+01 9.80340000e+00 3.70940000e+00 1.89000000e+00 1.13720000e+00 7.59970000e-01 4.12260000e-01 2.62010000e-01 1.20500000e-01] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 6.73200000e+04 5.81980000e+04 4.94300000e+04 4.87310000e+04 4.39410000e+04 4.32680000e+04 4.26150000e+04 2.43550000e+04 1.52920000e+04 6.09610000e+03 3.89450000e+03 3.81900000e+03 3.01820000e+03 2.27680000e+03 2.23090000e+03 2.08370000e+03 2.04130000e+03 1.05140000e+03 4.77820000e+02 2.53970000e+02 1.49790000e+02 6.39490000e+01 3.26610000e+01 1.76490000e+01 1.72250000e+01 9.49720000e+00 3.95650000e+00 1.17950000e+00 5.16590000e-01 2.79760000e-01 1.73270000e-01 8.47420000e-02 5.05310000e-02 2.14640000e-02] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.76360000e+04 1.66360000e+04 1.64940000e+04 1.63690000e+04 1.12080000e+04 7.92150000e+03 3.73860000e+03 2.55430000e+03 2.51200000e+03 2.05230000e+03 1.60770000e+03 1.57950000e+03 1.48880000e+03 1.46250000e+03 8.18230000e+02 4.07800000e+02 2.32630000e+02 1.45350000e+02 6.80000000e+01 3.72930000e+01 2.14970000e+01 2.10340000e+01 1.23390000e+01 5.62120000e+00 1.88650000e+00 8.90780000e-01 5.08200000e-01 3.26990000e-01 1.68760000e-01 1.04420000e-01 4.73290000e-02] total = [ 2.85050000e+06 2.39120000e+06 2.50690000e+06 1.69350000e+06 1.68930000e+06 1.43240000e+06 1.36690000e+06 1.37050000e+06 8.03280000e+05 3.28610000e+05 1.94340000e+05 4.56030000e+05 4.05490000e+05 5.62060000e+05 5.64420000e+05 4.12980000e+05 4.71960000e+05 3.79320000e+05 2.91080000e+05 3.02900000e+05 2.64250000e+05 2.70220000e+05 2.65040000e+05 1.30340000e+05 7.45220000e+04 2.64720000e+04 1.64050000e+04 3.80520000e+04 2.94510000e+04 2.18110000e+04 3.04270000e+04 2.84300000e+04 3.22010000e+04 1.69830000e+04 8.04530000e+03 4.47500000e+03 2.75850000e+03 1.27780000e+03 7.01200000e+02 4.06460000e+02 1.65230000e+03 1.00900000e+03 4.85380000e+02 1.74250000e+02 8.63560000e+01 5.11810000e+01 3.39180000e+01 1.82560000e+01 1.15740000e+01 5.32880000e+00] JM2 = 1.04060739316 JM3 = 1.14281563272 K = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 1254.5 773.52 376.09 136.32 67.947 40.443 26.89 14.543 9.2475 4.2717] JM1 = 1.02259224219 M = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.65260000e+05 2.33270000e+05 3.92500000e+05 3.95380000e+05 2.87350000e+05 3.48680000e+05 2.79130000e+05 2.12850000e+05 2.26150000e+05 1.97050000e+05 2.04310000e+05 2.00360000e+05 9.82990000e+04 5.61100000e+04 1.98550000e+04 1.22830000e+04 1.20320000e+04 9.40480000e+03 7.03220000e+03 6.88680000e+03 6.42390000e+03 6.29090000e+03 3.24140000e+03 1.51070000e+03 8.32390000e+02 5.10310000e+02 2.35030000e+02 1.28610000e+02 7.44080000e+01 7.28230000e+01 4.30520000e+01 1.99500000e+01 6.91100000e+00 3.34920000e+00 1.95070000e+00 1.27520000e+00 6.72430000e-01 4.20710000e-01 1.90800000e-01] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.19830000e+04 1.68800000e+04 1.24030000e+04 2.12130000e+04 1.98340000e+04 2.37820000e+04 1.26360000e+04 6.01570000e+03 3.35520000e+03 2.07130000e+03 9.60830000e+02 5.27590000e+02 3.05930000e+02 2.99430000e+02 1.77280000e+02 8.22880000e+01 2.85670000e+01 1.38700000e+01 8.09260000e+00 5.29810000e+00 2.80110000e+00 1.75570000e+00 7.98240000e-01] JM4 = 1.38612542849 JM5 = 2.3465575795 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 9.07310000e+03 8.53600000e+03 8.41460000e+03 4.48820000e+03 2.11280000e+03 1.15980000e+03 7.03610000e+02 3.15930000e+02 1.68440000e+02 9.49420000e+01 9.28220000e+01 5.34400000e+01 2.37870000e+01 7.78880000e+00 3.63210000e+00 2.05720000e+00 1.31790000e+00 6.76760000e-01 4.17700000e-01 1.88680000e-01] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.19830000e+04 1.68800000e+04 1.24030000e+04 1.21400000e+04 1.12980000e+04 1.10550000e+04 5.36140000e+03 2.29990000e+03 1.17350000e+03 6.71450000e+02 2.75010000e+02 1.36620000e+02 7.22450000e+01 7.04540000e+01 3.81540000e+01 1.55520000e+01 4.53310000e+00 1.96390000e+00 1.05720000e+00 6.52540000e-01 3.17960000e-01 1.89270000e-01 8.05880000e-02] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.31220000e+03 2.78670000e+03 1.60300000e+03 1.02190000e+03 6.96260000e+02 3.69900000e+02 2.22530000e+02 1.38740000e+02 1.36160000e+02 8.56900000e+01 4.29490000e+01 1.62450000e+01 8.27370000e+00 4.97820000e+00 3.32770000e+00 1.80630000e+00 1.14880000e+00 5.28970000e-01] all other = [ 2.85050000e+06 2.39120000e+06 2.50690000e+06 1.69350000e+06 1.68930000e+06 1.43240000e+06 1.36690000e+06 1.37050000e+06 8.03280000e+05 3.28610000e+05 1.94340000e+05 1.90780000e+05 1.72220000e+05 1.69560000e+05 1.69040000e+05 1.25630000e+05 1.23290000e+05 1.00180000e+05 7.82320000e+04 7.67460000e+04 6.71960000e+04 6.59150000e+04 6.46820000e+04 3.20370000e+04 1.84120000e+04 6.61670000e+03 4.12110000e+03 4.03760000e+03 3.16590000e+03 2.37560000e+03 2.32710000e+03 2.17250000e+03 2.12800000e+03 1.10490000e+03 5.18830000e+02 2.87350000e+02 1.76850000e+02 8.19160000e+01 4.49980000e+01 2.61190000e+01 2.55660000e+01 1.51600000e+01 7.05050000e+00 2.45190000e+00 1.19030000e+00 6.94300000e-01 4.54170000e-01 2.39690000e-01 1.49990000e-01 6.80400000e-02] [Pu.binding] K = 122.5667 L1 = 23.1603 M5 = 3.7762 M4 = 3.9774 M1 = 5.9118 L3 = 18.0695 M3 = 4.5495 M2 = 5.5502 L2 = 22.3744 [C] energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0.] L = [ 2.02800000e+03 6.55640000e+02 2.86990000e+02 8.64100000e+01 3.61610000e+01 1.82170000e+01 1.03450000e+01 4.18640000e+00 2.05700000e+00 5.56200000e-01 2.17490000e-01 5.71940000e-02 2.20240000e-02 1.04790000e-02 5.70560000e-03 2.18590000e-03 1.04010000e-03 2.72550000e-04 1.07110000e-04 3.00150000e-05 1.27990000e-05 6.88440000e-06 4.28130000e-06 2.15960000e-06 1.34390000e-06 6.36980000e-07] L2 = [ 3.16670000e+01 6.92190000e+00 2.26040000e+00 4.55000000e-01 1.45130000e-01 5.92780000e-02 2.83410000e-02 8.73550000e-03 3.47180000e-03 6.41510000e-04 1.92300000e-04 3.51200000e-05 1.05520000e-05 4.17390000e-06 1.96670000e-06 6.06480000e-07 2.47200000e-07 5.03320000e-08 1.70050000e-08 3.97000000e-09 1.51620000e-09 7.50450000e-10 4.38420000e-10 1.98660000e-10 1.13810000e-10 4.87640000e-11] L3 = [ 6.29500000e+01 1.37440000e+01 4.48560000e+00 9.01870000e-01 2.86420000e-01 1.16760000e-01 5.57530000e-02 1.71360000e-02 6.79720000e-03 1.24740000e-03 3.71850000e-04 6.72930000e-05 2.00330000e-05 7.85400000e-06 3.66660000e-06 1.11690000e-06 4.48960000e-07 8.95950000e-08 2.98690000e-08 7.01570000e-09 2.74280000e-09 1.41180000e-09 8.52450000e-10 4.20890000e-10 2.62320000e-10 1.33020000e-10] L1 = [ 1.93340000e+03 6.34970000e+02 2.80250000e+02 8.50540000e+01 3.57300000e+01 1.80410000e+01 1.02610000e+01 4.16050000e+00 2.04680000e+00 5.54310000e-01 2.16930000e-01 5.70910000e-02 2.19930000e-02 1.04670000e-02 5.70000000e-03 2.18420000e-03 1.03940000e-03 2.72410000e-04 1.07060000e-04 3.00040000e-05 1.27950000e-05 6.88220000e-06 4.28000000e-06 2.15900000e-06 1.34350000e-06 6.36800000e-07] all other = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0.] total = [ 4.40730000e+04 1.39470000e+04 6.01780000e+03 1.78820000e+03 7.42730000e+02 3.72150000e+02 2.10320000e+02 8.45930000e+01 4.14050000e+01 1.11340000e+01 4.34080000e+00 1.13790000e+00 4.37410000e-01 2.07890000e-01 1.13100000e-01 4.32780000e-02 2.05780000e-02 5.39700000e-03 2.12090000e-03 5.94410000e-04 2.53540000e-04 1.36370000e-04 8.48180000e-05 4.27710000e-05 2.65900000e-05 1.25530000e-05] K = [ 4.20450000e+04 1.32910000e+04 5.73080000e+03 1.70180000e+03 7.06570000e+02 3.53930000e+02 1.99980000e+02 8.04060000e+01 3.93480000e+01 1.05780000e+01 4.12330000e+00 1.08070000e+00 4.15390000e-01 1.97410000e-01 1.07400000e-01 4.10920000e-02 1.95380000e-02 5.12440000e-03 2.01380000e-03 5.64400000e-04 2.40750000e-04 1.29480000e-04 8.05370000e-05 4.06120000e-05 2.52460000e-05 1.19160000e-05] [C.binding] K = 0.291 L2 = 0.009 L3 = 0.009 L1 = 0.0176 [Pb] JL1 = 1.13244126479 JL3 = 2.4526731945 JL2 = 1.36732922732 energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 2.48610000e+00 2.50600000e+00 2.59200000e+00 2.61280000e+00 3.00000000e+00 3.05140000e+00 3.07580000e+00 3.54640000e+00 3.57480000e+00 3.82330000e+00 3.85390000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.30260000e+01 1.31300000e+01 1.50000000e+01 1.52360000e+01 1.53580000e+01 1.58410000e+01 1.59680000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 8.82630000e+01 8.89700000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 4.63465434647 M5 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.65610000e+05 4.18410000e+05 4.10990000e+05 2.88540000e+05 2.75400000e+05 2.69410000e+05 1.80820000e+05 1.76780000e+05 1.47110000e+05 1.43940000e+05 1.29880000e+05 6.75140000e+04 3.86950000e+04 1.55530000e+04 7.45130000e+03 3.02340000e+03 2.94070000e+03 1.84520000e+03 1.74590000e+03 1.69730000e+03 1.52090000e+03 1.47840000e+03 6.57310000e+02 1.45840000e+02 4.86160000e+01 2.04570000e+01 1.00210000e+01 3.23110000e+00 2.19380000e+00 2.12590000e+00 1.34240000e+00 2.76950000e-01 9.28850000e-02 2.14710000e-02 8.12630000e-03 4.01470000e-03 2.33600000e-03 1.05950000e-03 6.10680000e-04 2.45730000e-04] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.82230000e+05 2.06780000e+05 1.97730000e+05 1.93580000e+05 1.31200000e+05 1.28330000e+05 1.06390000e+05 1.04390000e+05 9.44390000e+04 4.98950000e+04 2.89780000e+04 1.18590000e+04 5.76890000e+03 2.38620000e+03 2.32240000e+03 1.47170000e+03 1.39430000e+03 1.35630000e+03 1.21820000e+03 1.18480000e+03 5.36420000e+02 1.23380000e+02 4.23020000e+01 1.82210000e+01 9.10540000e+00 3.03260000e+00 2.08220000e+00 2.01970000e+00 1.29230000e+00 2.78300000e-01 9.56120000e-02 2.24780000e-02 8.46060000e-03 4.11380000e-03 2.34520000e-03 1.03080000e-03 5.68190000e-04 2.21140000e-04] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.95550000e+04 1.84430000e+04 1.35920000e+04 1.03590000e+04 6.51500000e+03 4.42350000e+03 2.72860000e+03 2.68830000e+03 2.08680000e+03 2.02470000e+03 1.99380000e+03 1.87800000e+03 1.84930000e+03 1.18460000e+03 5.11080000e+02 2.73620000e+02 1.65900000e+02 1.09140000e+02 5.54060000e+01 4.37530000e+01 4.29190000e+01 3.23200000e+01 1.18630000e+01 5.76730000e+00 2.09540000e+00 1.03930000e+00 6.13790000e-01 4.04900000e-01 2.16360000e-01 1.36570000e-01 6.27130000e-02] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 9.92750000e+04 8.18640000e+04 8.08000000e+04 7.18070000e+04 7.07690000e+04 6.60830000e+04 4.41540000e+04 3.08050000e+04 1.68230000e+04 1.01700000e+04 5.41680000e+03 5.31190000e+03 3.81300000e+03 3.66580000e+03 3.59280000e+03 3.32180000e+03 3.25500000e+03 1.81160000e+03 5.97230000e+02 2.61530000e+02 1.35220000e+02 7.80220000e+01 3.22330000e+01 2.37430000e+01 2.31600000e+01 1.60710000e+01 4.49240000e+00 1.82630000e+00 5.30210000e-01 2.29330000e-01 1.23510000e-01 7.62760000e-02 3.74090000e-02 2.23460000e-02 9.63740000e-03] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.05420000e+04 2.91510000e+04 2.89440000e+04 2.78730000e+04 2.01830000e+04 1.53010000e+04 9.14610000e+03 5.88570000e+03 3.35320000e+03 3.29450000e+03 2.44450000e+03 2.35900000e+03 2.31630000e+03 2.15720000e+03 2.11770000e+03 1.24320000e+03 4.50410000e+02 2.10940000e+02 1.14990000e+02 6.93400000e+01 3.07550000e+01 2.32210000e+01 2.26960000e+01 1.62230000e+01 5.03090000e+00 2.19930000e+00 7.02110000e-01 3.21840000e-01 1.80050000e-01 1.14150000e-01 5.79000000e-02 3.54810000e-02 1.58130000e-02] total = [ 1.78840000e+06 8.06620000e+05 4.38350000e+05 2.71220000e+05 5.32030000e+05 6.65380000e+05 8.35780000e+05 6.72480000e+05 6.43510000e+05 7.29560000e+05 5.14140000e+05 5.34490000e+05 4.55270000e+05 4.66540000e+05 4.27330000e+05 2.48470000e+05 1.58220000e+05 7.66000000e+04 4.32190000e+04 2.17530000e+04 5.33530000e+04 3.72300000e+04 3.57200000e+04 4.88410000e+04 4.52880000e+04 5.12860000e+04 2.88860000e+04 9.92890000e+03 4.59320000e+03 2.50880000e+03 1.52530000e+03 6.92360000e+02 5.28130000e+02 2.44770000e+03 1.80220000e+03 6.24380000e+02 2.91180000e+02 1.00790000e+02 4.87570000e+01 2.84120000e+01 1.86040000e+01 9.87800000e+00 6.22580000e+00 2.86350000e+00] JM2 = 1.03958065896 JM3 = 1.13371975571 K = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 1931.1 1427.9 501.97 235.43 81.931 39.761 23.226 15.239 8.1156 5.1259 2.3643] JM1 = 1.02475454126 M = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.65610000e+05 4.18410000e+05 5.93220000e+05 4.95320000e+05 4.73120000e+05 5.62270000e+05 3.93880000e+05 4.16450000e+05 3.54460000e+05 3.67600000e+05 3.36720000e+05 1.95340000e+05 1.24140000e+05 5.98950000e+04 3.37000000e+04 1.69080000e+04 1.65580000e+04 1.16610000e+04 1.11900000e+04 1.09560000e+04 1.00960000e+04 9.88510000e+03 5.43310000e+03 1.82790000e+03 8.37020000e+02 4.54790000e+02 2.75630000e+02 1.24660000e+02 9.49930000e+01 9.29200000e+01 6.72490000e+01 2.19420000e+01 9.98140000e+00 3.37170000e+00 1.60700000e+00 9.25470000e-01 6.00020000e-01 3.13760000e-01 1.95580000e-01 8.86300000e-02] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.20490000e+04 2.22030000e+04 2.12980000e+04 3.47180000e+04 3.22700000e+04 3.85390000e+04 2.18630000e+04 7.55710000e+03 3.50470000e+03 1.91640000e+03 1.16580000e+03 5.29490000e+02 4.03950000e+02 3.95170000e+02 2.86300000e+02 9.36530000e+01 4.26530000e+01 1.44280000e+01 6.88480000e+00 3.96960000e+00 2.57640000e+00 1.34970000e+00 8.42620000e-01 3.82620000e-01] JM4 = 1.25609426193 JM5 = 1.96161787479 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.38660000e+04 1.30580000e+04 1.27680000e+04 7.17850000e+03 2.39030000e+03 1.06310000e+03 5.59620000e+02 3.28910000e+02 1.40830000e+02 1.05180000e+02 1.02720000e+02 7.25590000e+01 2.17440000e+01 9.33050000e+00 2.92150000e+00 1.32620000e+00 7.37760000e-01 4.66110000e-01 2.35520000e-01 1.43850000e-01 6.39770000e-02] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.20490000e+04 2.22030000e+04 2.12980000e+04 2.08530000e+04 1.92120000e+04 1.88080000e+04 9.96150000e+03 3.00770000e+03 1.25080000e+03 6.24160000e+02 3.51070000e+02 1.40090000e+02 1.02110000e+02 9.95260000e+01 6.82780000e+01 1.84720000e+01 7.37910000e+00 2.10460000e+00 9.02520000e-01 4.83790000e-01 2.97930000e-01 1.45670000e-01 8.71350000e-02 3.75070000e-02] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 6.96310000e+03 4.72260000e+03 2.15910000e+03 1.19080000e+03 7.32580000e+02 4.85860000e+02 2.48570000e+02 1.96650000e+02 1.92920000e+02 1.45460000e+02 5.34370000e+01 2.59430000e+01 9.40180000e+00 4.65610000e+00 2.74810000e+00 1.81240000e+00 9.68510000e-01 6.11640000e-01 2.81130000e-01] all other = [ 1.78840000e+06 8.06620000e+05 4.38350000e+05 2.71220000e+05 2.66420000e+05 2.46960000e+05 2.42560000e+05 1.77160000e+05 1.70390000e+05 1.67290000e+05 1.20260000e+05 1.18040000e+05 1.00810000e+05 9.89360000e+04 9.06070000e+04 5.31330000e+04 3.40830000e+04 1.67050000e+04 9.51930000e+03 4.84470000e+03 4.74630000e+03 3.36610000e+03 3.23250000e+03 3.16630000e+03 2.92220000e+03 2.86230000e+03 1.59000000e+03 5.43810000e+02 2.51520000e+02 1.37610000e+02 8.38600000e+01 3.82180000e+01 2.91900000e+01 2.85580000e+01 2.07210000e+01 6.81290000e+00 3.11280000e+00 1.05660000e+00 5.04800000e-01 2.91150000e-01 1.88950000e-01 9.89140000e-02 6.16930000e-02 2.79700000e-02] [Pb.binding] K = 88.3511 L1 = 15.8566 M5 = 2.4886 M4 = 2.5946 M1 = 3.8271 L3 = 13.039 M3 = 3.0545 M2 = 3.55 L2 = 15.2516 [Pa] JL1 = 1.13301729821 JL3 = 2.34943538269 JL2 = 1.38788691202 energy = [ 1.00000000e+00 1.20950000e+00 1.21920000e+00 1.36290000e+00 1.37380000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 3.43950000e+00 3.46700000e+00 3.61220000e+00 3.64110000e+00 4.00000000e+00 4.15490000e+00 4.18810000e+00 4.99810000e+00 5.00000000e+00 5.03810000e+00 5.33660000e+00 5.37930000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 1.67250000e+01 1.68590000e+01 2.00000000e+01 2.03840000e+01 2.05470000e+01 2.11190000e+01 2.12880000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.13120000e+02 1.14030000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 4.204345816 M5 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.01210000e+05 2.63590000e+05 2.58210000e+05 2.04870000e+05 1.85080000e+05 1.81080000e+05 1.08970000e+05 1.08840000e+05 1.06440000e+05 9.03560000e+04 8.83310000e+04 6.38240000e+04 2.65240000e+04 1.30290000e+04 3.37160000e+03 2.31730000e+03 2.25390000e+03 1.23770000e+03 1.15690000e+03 1.12460000e+03 1.01980000e+03 9.91240000e+02 2.85710000e+02 9.78690000e+01 4.20310000e+01 2.09230000e+01 6.90380000e+00 2.91950000e+00 1.81610000e+00 1.76130000e+00 6.17640000e-01 2.10930000e-01 4.93790000e-02 1.87970000e-02 9.30450000e-03 5.45210000e-03 2.47510000e-03 1.40800000e-03 5.78800000e-04] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.90910000e+05 1.48330000e+05 1.35160000e+05 1.32440000e+05 8.12990000e+04 8.12090000e+04 7.94620000e+04 6.72160000e+04 6.57750000e+04 4.83500000e+04 2.04990000e+04 1.02490000e+04 2.74360000e+03 1.90340000e+03 1.85280000e+03 1.03370000e+03 9.68110000e+02 9.41800000e+02 8.56350000e+02 8.32970000e+02 2.48520000e+02 8.78620000e+01 3.87260000e+01 1.97060000e+01 6.73920000e+00 2.93010000e+00 1.85040000e+00 1.79620000e+00 6.50070000e-01 2.28220000e-01 5.46590000e-02 2.08070000e-02 1.01910000e-02 5.90500000e-03 2.59680000e-03 1.46220000e-03 5.65010000e-04] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.27560000e+04 1.09240000e+04 7.24930000e+03 5.10990000e+03 2.54010000e+03 2.07820000e+03 2.04770000e+03 1.48350000e+03 1.43010000e+03 1.40830000e+03 1.33550000e+03 1.31500000e+03 6.63370000e+02 3.63530000e+02 2.24290000e+02 1.49640000e+02 7.76680000e+01 4.60880000e+01 3.43980000e+01 3.37500000e+01 1.74510000e+01 8.67210000e+00 3.24750000e+00 1.64310000e+00 9.83790000e-01 6.55200000e-01 3.53970000e-01 2.24560000e-01 1.03210000e-01] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 7.34280000e+04 5.56270000e+04 5.55910000e+04 5.48660000e+04 4.93800000e+04 4.86360000e+04 3.93460000e+04 2.23820000e+04 1.39250000e+04 5.47650000e+03 4.20150000e+03 4.12000000e+03 2.68490000e+03 2.55830000e+03 2.50680000e+03 2.33650000e+03 2.28900000e+03 9.23060000e+02 4.15730000e+02 2.19500000e+02 1.28770000e+02 5.45440000e+01 2.76970000e+01 1.89910000e+01 1.85320000e+01 7.97660000e+00 3.30350000e+00 9.78390000e-01 4.27180000e-01 2.31030000e-01 1.43040000e-01 6.99900000e-02 4.18220000e-02 1.78000000e-02] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.02700000e+04 1.90760000e+04 1.89140000e+04 1.68510000e+04 1.09860000e+04 7.50260000e+03 3.41730000e+03 2.71880000e+03 2.67300000e+03 1.83870000e+03 1.76250000e+03 1.73130000e+03 1.62760000e+03 1.59840000e+03 7.14910000e+02 3.50500000e+02 1.97590000e+02 1.22340000e+02 5.64550000e+01 3.06530000e+01 2.18140000e+01 2.13380000e+01 9.97420000e+00 4.49620000e+00 1.48950000e+00 6.97960000e-01 3.96170000e-01 2.54020000e-01 1.30490000e-01 8.05830000e-02 3.63670000e-02] total = [ 2.66060000e+06 1.87760000e+06 1.87550000e+06 1.51070000e+06 1.51650000e+06 1.27140000e+06 6.98710000e+05 2.85710000e+05 2.09110000e+05 5.06510000e+05 4.50350000e+05 6.32480000e+05 5.00550000e+05 4.55040000e+05 5.19260000e+05 3.32960000e+05 3.32630000e+05 3.46470000e+05 3.00470000e+05 3.07440000e+05 2.35410000e+05 1.15390000e+05 6.57390000e+04 2.32520000e+04 1.75340000e+04 4.11950000e+04 2.58900000e+04 2.46180000e+04 3.41670000e+04 3.18530000e+04 3.60900000e+04 1.50030000e+04 7.06440000e+03 3.90840000e+03 2.39980000e+03 1.10560000e+03 6.04250000e+02 4.32600000e+02 1.81880000e+03 9.03810000e+02 4.31150000e+02 1.53270000e+02 7.54740000e+01 4.45290000e+01 2.94150000e+01 1.57730000e+01 9.98460000e+00 4.59460000e+00] JM2 = 1.04160779244 JM3 = 1.14113045007 K = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 1395.5 702.28 338.09 121.18 59.974 35.517 23.529 12.671 8.0427 3.713 ] JM1 = 1.02319699138 M = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.01210000e+05 2.63590000e+05 4.49120000e+05 3.53200000e+05 3.20240000e+05 3.86950000e+05 2.45890000e+05 2.45640000e+05 2.61040000e+05 2.26030000e+05 2.34410000e+05 1.79300000e+05 8.76400000e+04 4.98160000e+04 1.75490000e+04 1.32190000e+04 1.29470000e+04 8.27860000e+03 7.87590000e+03 7.71280000e+03 7.17570000e+03 7.02670000e+03 2.83560000e+03 1.31550000e+03 7.22140000e+02 4.41380000e+02 2.02310000e+02 1.10290000e+02 7.88690000e+01 7.71770000e+01 3.66690000e+01 1.69110000e+01 5.81950000e+00 2.80780000e+00 1.63050000e+00 1.06360000e+00 5.59520000e-01 3.49830000e-01 1.58520000e-01] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.40200000e+04 1.48900000e+04 1.41520000e+04 2.39170000e+04 2.23140000e+04 2.67490000e+04 1.12220000e+04 5.30700000e+03 2.94230000e+03 1.80870000e+03 8.34200000e+02 4.56170000e+02 3.26640000e+02 3.19650000e+02 1.52200000e+02 7.02940000e+01 2.42380000e+01 1.17140000e+01 6.81340000e+00 4.45080000e+00 2.34700000e+00 1.46990000e+00 6.67650000e-01] JM4 = 1.40441878539 JM5 = 2.4222179714 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.00650000e+04 9.44920000e+03 9.30170000e+03 3.88310000e+03 1.80350000e+03 9.78630000e+02 5.88760000e+02 2.60860000e+02 1.37890000e+02 9.68190000e+01 9.46300000e+01 4.31030000e+01 1.90070000e+01 6.15160000e+00 2.84870000e+00 1.60590000e+00 1.02540000e+00 5.24270000e-01 3.23040000e-01 1.45240000e-01] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.40200000e+04 1.48900000e+04 1.41520000e+04 1.38520000e+04 1.28650000e+04 1.25900000e+04 4.69520000e+03 1.99780000e+03 1.01350000e+03 5.77460000e+02 2.34940000e+02 1.16210000e+02 7.86530000e+01 7.66920000e+01 3.22020000e+01 1.30630000e+01 3.78720000e+00 1.63660000e+00 8.80090000e-01 5.43140000e-01 2.64830000e-01 1.57990000e-01 6.73930000e-02] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.85730000e+03 2.64400000e+03 1.50570000e+03 9.50140000e+02 6.42450000e+02 3.38400000e+02 2.02070000e+02 1.51170000e+02 1.48330000e+02 7.68940000e+01 3.82240000e+01 1.42990000e+01 7.22910000e+00 4.32740000e+00 2.88230000e+00 1.55790000e+00 9.88830000e-01 4.55010000e-01] all other = [ 2.66060000e+06 1.87760000e+06 1.87550000e+06 1.51070000e+06 1.51650000e+06 1.27140000e+06 6.98710000e+05 2.85710000e+05 2.09110000e+05 2.05300000e+05 1.86760000e+05 1.83350000e+05 1.47350000e+05 1.34810000e+05 1.32310000e+05 8.70680000e+04 8.69880000e+04 8.54260000e+04 7.44380000e+04 7.30280000e+04 5.61160000e+04 2.77520000e+04 1.59230000e+04 5.70260000e+03 4.31460000e+03 4.22710000e+03 2.72060000e+03 2.59000000e+03 2.53700000e+03 2.36260000e+03 2.31430000e+03 9.44780000e+02 4.41910000e+02 2.43950000e+02 1.49740000e+02 6.90540000e+01 3.77990000e+01 2.70930000e+01 2.65150000e+01 1.26530000e+01 5.85650000e+00 2.02340000e+00 9.78160000e-01 5.68800000e-01 3.71310000e-01 1.95510000e-01 1.22270000e-01 5.54180000e-02] [Pa.binding] K = 113.2336 L1 = 21.1402 M5 = 3.4429 M4 = 3.6158 M1 = 5.3419 L3 = 16.7419 M3 = 4.159 M2 = 5.0031 L2 = 20.4041 [Pd] JL1 = 1.1252526069 JL3 = 3.27526956522 JL2 = 1.34548854605 energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 3.16740000e+00 3.19270000e+00 3.32940000e+00 3.35610000e+00 3.57670000e+00 3.60540000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 2.42980000e+01 2.44930000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 9.67450000e+04 5.14560000e+04 3.01700000e+04 1.28860000e+04 1.14080000e+04 1.12030000e+04 1.01820000e+04 9.99770000e+03 8.62960000e+03 8.47060000e+03 6.62490000e+03 3.83150000e+03 2.40240000e+03 1.11240000e+03 5.96200000e+02 1.82000000e+02 7.55310000e+01 4.10030000e+01 3.99800000e+01 2.08920000e+01 8.17440000e+00 3.90280000e+00 2.12150000e+00 8.05800000e-01 3.79740000e-01 9.76760000e-02 3.79610000e-02 1.05300000e-02 4.43850000e-03 2.34890000e-03 1.43310000e-03 6.91030000e-04 4.09770000e-04 1.75260000e-04] M = [ 1.03690000e+06 4.04710000e+05 2.00930000e+05 7.23730000e+04 6.29640000e+04 6.16860000e+04 5.53710000e+04 5.42440000e+04 4.60110000e+04 4.50700000e+04 3.43970000e+04 1.91340000e+04 1.17800000e+04 5.42480000e+03 2.94980000e+03 9.60650000e+02 4.28860000e+02 2.47330000e+02 2.41800000e+02 1.35720000e+02 5.94580000e+01 3.11960000e+01 1.83650000e+01 7.92250000e+00 4.11490000e+00 1.24960000e+00 5.39480000e-01 1.69430000e-01 7.70990000e-02 4.30880000e-02 2.74090000e-02 1.40680000e-02 8.74080000e-03 4.01690000e-03] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.64990000e+05 1.50640000e+05 2.25810000e+05 1.94780000e+05 2.26840000e+05 1.76420000e+05 9.93290000e+04 6.18370000e+04 2.88090000e+04 1.57390000e+04 5.14290000e+03 2.29600000e+03 1.32400000e+03 1.29440000e+03 7.26320000e+02 3.18010000e+02 1.66770000e+02 9.81240000e+01 4.22900000e+01 2.19480000e+01 6.65580000e+00 2.87090000e+00 9.01090000e-01 4.09860000e-01 2.29020000e-01 1.45670000e-01 7.47940000e-02 4.64810000e-02 2.13750000e-02] M5 = [ 3.97210000e+05 1.25950000e+05 5.23150000e+04 1.39620000e+04 1.16200000e+04 1.13090000e+04 9.80190000e+03 9.53800000e+03 7.66150000e+03 7.45300000e+03 5.18820000e+03 2.33960000e+03 1.19840000e+03 4.03790000e+02 1.69400000e+02 3.32720000e+01 1.01210000e+01 4.46010000e+00 4.31190000e+00 1.81750000e+00 5.27580000e-01 2.01080000e-01 9.13660000e-02 2.63920000e-02 1.01510000e-02 1.85320000e-03 5.76920000e-04 1.23520000e-04 4.49510000e-05 2.17790000e-05 1.27240000e-05 5.76310000e-06 3.31820000e-06 1.36750000e-06] M4 = [ 2.72520000e+05 8.71040000e+04 3.63830000e+04 9.79110000e+03 8.15850000e+03 7.94170000e+03 6.88950000e+03 6.70520000e+03 5.39370000e+03 5.24780000e+03 3.66190000e+03 1.66030000e+03 8.54500000e+02 2.90320000e+02 1.22670000e+02 2.44540000e+01 7.53270000e+00 3.35130000e+00 3.24120000e+00 1.38120000e+00 4.07850000e-01 1.57700000e-01 7.25510000e-02 2.13890000e-02 8.35660000e-03 1.56310000e-03 4.94530000e-04 1.05220000e-04 3.75370000e-05 1.75840000e-05 9.75350000e-06 4.13210000e-06 2.23040000e-06 8.62810000e-07] L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 7.80550000e+04 6.78900000e+04 6.66730000e+04 5.15450000e+04 2.79920000e+04 1.68730000e+04 7.38230000e+03 3.80180000e+03 1.09080000e+03 4.36630000e+02 2.32110000e+02 2.26130000e+02 1.15980000e+02 4.43750000e+01 2.08840000e+01 1.12370000e+01 4.21120000e+00 1.96780000e+00 5.00290000e-01 1.93310000e-01 5.31820000e-02 2.23400000e-02 1.18010000e-02 7.18960000e-03 3.45670000e-03 2.05490000e-03 8.78120000e-04] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.64990000e+05 1.50640000e+05 1.47760000e+05 1.26890000e+05 1.24380000e+05 9.42430000e+04 5.05680000e+04 2.99960000e+04 1.28590000e+04 6.51620000e+03 1.81410000e+03 7.09630000e+02 3.71140000e+02 3.61340000e+02 1.81940000e+02 6.76920000e+01 3.11100000e+01 1.63960000e+01 5.93120000e+00 2.69140000e+00 6.47090000e-01 2.40520000e-01 6.32300000e-02 2.60600000e-02 1.37090000e-02 8.38430000e-03 4.10800000e-03 2.48230000e-03 1.10430000e-03] M3 = [ 2.01620000e+05 1.02380000e+05 5.84840000e+04 2.42150000e+04 2.13530000e+04 2.09590000e+04 1.89960000e+04 1.86420000e+04 1.60170000e+04 1.57130000e+04 1.22040000e+04 6.95160000e+03 4.30610000e+03 1.95520000e+03 1.03160000e+03 3.05590000e+02 1.23930000e+02 6.61630000e+01 6.44660000e+01 3.30680000e+01 1.25750000e+01 5.86100000e+00 3.11970000e+00 1.14350000e+00 5.23270000e-01 1.27300000e-01 4.76100000e-02 1.25700000e-02 5.19460000e-03 2.73740000e-03 1.67610000e-03 8.20560000e-04 4.97430000e-04 2.21410000e-04] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.57860000e+04 3.06310000e+04 2.07690000e+04 1.49680000e+04 8.56760000e+03 5.42100000e+03 2.23800000e+03 1.14980000e+03 7.20730000e+02 7.06890000e+02 4.28410000e+02 2.05940000e+02 1.14770000e+02 7.04910000e+01 3.21480000e+01 1.72890000e+01 5.50840000e+00 2.43710000e+00 7.84680000e-01 3.61460000e-01 2.03510000e-01 1.30100000e-01 6.72300000e-02 4.19440000e-02 1.93930000e-02] JK = 6.26045474258 M1 = [ 6.87750000e+04 3.78200000e+04 2.35800000e+04 1.15200000e+04 1.04250000e+04 1.02720000e+04 9.50170000e+03 9.36140000e+03 8.30920000e+03 8.18540000e+03 6.71810000e+03 4.35060000e+03 3.01890000e+03 1.66320000e+03 1.03000000e+03 4.15340000e+02 2.11740000e+02 1.32350000e+02 1.29800000e+02 7.85650000e+01 3.77730000e+01 2.10740000e+01 1.29600000e+01 5.92540000e+00 3.19340000e+00 1.02120000e+00 4.52840000e-01 1.46100000e-01 6.73830000e-02 3.79630000e-02 2.42770000e-02 1.25470000e-02 7.82810000e-03 3.61800000e-03] all other = [ 1.17160000e+05 4.97040000e+04 2.61670000e+04 1.01510000e+04 8.91050000e+03 8.74080000e+03 7.89110000e+03 7.74010000e+03 6.62860000e+03 6.50080000e+03 5.03770000e+03 2.88780000e+03 1.81830000e+03 8.64440000e+02 4.80240000e+02 1.61460000e+02 7.34060000e+01 4.27900000e+01 4.18500000e+01 2.37120000e+01 1.05130000e+01 5.55800000e+00 3.28950000e+00 1.42920000e+00 7.45700000e-01 2.27900000e-01 9.87260000e-02 3.11260000e-02 1.41880000e-02 7.93720000e-03 5.05200000e-03 2.59520000e-03 1.61320000e-03 7.41930000e-04] total = [ 1.15400000e+06 4.54410000e+05 2.27100000e+05 8.25250000e+04 7.18750000e+04 2.35410000e+05 2.13900000e+05 2.87800000e+05 2.47420000e+05 2.78410000e+05 2.15850000e+05 1.21350000e+05 7.54360000e+04 3.50980000e+04 1.91690000e+04 6.26500000e+03 2.79830000e+03 1.61410000e+03 1.01050000e+04 5.99300000e+03 2.75950000e+03 1.49240000e+03 8.95500000e+02 3.94580000e+02 2.07280000e+02 6.37020000e+01 2.76200000e+01 8.70590000e+00 3.96980000e+00 2.22330000e+00 1.41730000e+00 7.30760000e-01 4.55800000e-01 2.10950000e-01] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 8.52690000e+03 5.10730000e+03 2.37150000e+03 1.28890000e+03 7.75720000e+02 3.42930000e+02 1.80470000e+02 5.55690000e+01 2.41110000e+01 7.60420000e+00 3.46860000e+00 1.94320000e+00 1.23920000e+00 6.39300000e-01 3.98960000e-01 1.84820000e-01] [Pd.binding] K = 24.3223 L1 = 3.5803 M5 = 0.3424 M4 = 0.3482 M1 = 0.6551 L3 = 3.1705 M3 = 0.5268 M2 = 0.5554 L2 = 3.3328 [Cd] JL1 = 1.14889529299 JL3 = 3.19589348538 JL2 = 1.34600457228 energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 3.53180000e+00 3.56000000e+00 3.72730000e+00 3.75710000e+00 3.99040000e+00 4.00000000e+00 4.02240000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 2.66630000e+01 2.68760000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 1.02180000e+05 5.67310000e+04 3.39240000e+04 1.48520000e+04 1.03400000e+04 1.01540000e+04 9.14180000e+03 8.97520000e+03 7.80350000e+03 7.75990000e+03 7.65930000e+03 4.54110000e+03 2.87420000e+03 1.35030000e+03 7.31520000e+02 2.27390000e+02 9.55230000e+01 3.90380000e+01 3.80670000e+01 2.68530000e+01 1.06190000e+01 5.10920000e+00 2.79410000e+00 1.07090000e+00 5.07960000e-01 1.32050000e-01 5.16680000e-02 1.44400000e-02 6.11450000e-03 3.24740000e-03 1.98640000e-03 9.59180000e-04 5.70320000e-04 2.44180000e-04] M = [ 1.21650000e+06 4.80270000e+05 2.39360000e+05 8.66080000e+04 5.69760000e+04 5.58150000e+04 4.95610000e+04 4.85470000e+04 4.15180000e+04 4.12600000e+04 4.06660000e+04 2.29920000e+04 1.41780000e+04 6.54670000e+03 3.56680000e+03 1.16510000e+03 5.21290000e+02 2.31440000e+02 2.26260000e+02 1.65520000e+02 7.26830000e+01 3.82100000e+01 2.25320000e+01 9.74810000e+00 5.07520000e+00 1.54810000e+00 6.70570000e-01 2.11530000e-01 9.65200000e-02 5.40340000e-02 3.44050000e-02 1.76750000e-02 1.09830000e-02 5.04170000e-03] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.46140000e+05 1.30660000e+05 1.96910000e+05 1.70440000e+05 2.03290000e+05 1.98350000e+05 1.15810000e+05 7.21420000e+04 3.37870000e+04 1.85310000e+04 6.08970000e+03 2.72860000e+03 1.21170000e+03 1.18460000e+03 8.66550000e+02 3.80500000e+02 1.99990000e+02 1.17900000e+02 5.09740000e+01 2.65230000e+01 8.08110000e+00 3.49750000e+00 1.10270000e+00 5.02940000e-01 2.81510000e-01 1.79260000e-01 9.21220000e-02 5.72660000e-02 2.63020000e-02] M5 = [ 4.89070000e+05 1.58720000e+05 6.68960000e+04 1.82250000e+04 1.05260000e+04 1.02440000e+04 8.75470000e+03 8.51810000e+03 6.91940000e+03 6.86210000e+03 6.73070000e+03 3.12680000e+03 1.61570000e+03 5.51840000e+02 2.33720000e+02 4.66390000e+01 1.43490000e+01 4.30700000e+00 4.16430000e+00 2.61370000e+00 7.65020000e-01 2.93230000e-01 1.33830000e-01 3.89210000e-02 1.50460000e-02 2.76650000e-03 8.63310000e-04 1.85520000e-04 6.81680000e-05 3.33460000e-05 1.92280000e-05 8.68600000e-06 5.13910000e-06 2.16320000e-06] M4 = [ 3.35580000e+05 1.09870000e+05 4.65870000e+04 1.28060000e+04 7.42490000e+03 7.22720000e+03 6.18330000e+03 6.01730000e+03 4.89510000e+03 4.85480000e+03 4.76250000e+03 2.22490000e+03 1.15550000e+03 3.98080000e+02 1.69870000e+02 3.44290000e+01 1.07300000e+01 3.26910000e+00 3.16220000e+00 1.99710000e+00 5.95000000e-01 2.31500000e-01 1.07020000e-01 3.17870000e-02 1.24890000e-02 2.35530000e-03 7.50050000e-04 1.60550000e-04 5.72040000e-05 2.68130000e-05 1.50280000e-05 6.33020000e-06 3.42650000e-06 1.34810000e-06] L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 6.88040000e+04 5.96870000e+04 5.93570000e+04 5.85990000e+04 3.33850000e+04 2.02310000e+04 8.93490000e+03 4.64030000e+03 1.35060000e+03 5.45760000e+02 2.15980000e+02 2.10440000e+02 1.46880000e+02 5.66980000e+01 2.68600000e+01 1.45290000e+01 5.48770000e+00 2.57910000e+00 6.61970000e-01 2.57350000e-01 7.13270000e-02 3.00950000e-02 1.59440000e-02 9.73400000e-03 4.69290000e-03 2.79470000e-03 1.19560000e-03] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.46140000e+05 1.30660000e+05 1.28110000e+05 1.10760000e+05 1.10100000e+05 1.08570000e+05 5.98590000e+04 3.57420000e+04 1.54510000e+04 7.89100000e+03 2.22510000e+03 8.78040000e+02 3.38510000e+02 3.29590000e+02 2.27600000e+02 8.53140000e+01 3.94250000e+01 2.08690000e+01 7.59900000e+00 3.46450000e+00 8.39260000e-01 3.13410000e-01 8.28210000e-02 3.42210000e-02 1.80240000e-02 1.10300000e-02 5.40390000e-03 3.26210000e-03 1.45180000e-03] M3 = [ 2.17330000e+05 1.14050000e+05 6.61880000e+04 2.79850000e+04 1.92360000e+04 1.88790000e+04 1.69370000e+04 1.66190000e+04 1.43860000e+04 1.43030000e+04 1.41110000e+04 8.23050000e+03 5.14030000e+03 2.36430000e+03 1.25950000e+03 3.79110000e+02 1.55400000e+02 6.18520000e+01 6.02680000e+01 4.20590000e+01 1.61430000e+01 7.57390000e+00 4.05220000e+00 1.49660000e+00 6.88540000e-01 1.68940000e-01 6.35100000e-02 1.68680000e-02 6.99290000e-03 3.68880000e-03 2.25800000e-03 1.10710000e-03 6.70720000e-04 2.98550000e-04] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.38370000e+04 3.11760000e+04 2.25670000e+04 1.61690000e+04 9.40150000e+03 5.99960000e+03 2.51400000e+03 1.30480000e+03 6.57170000e+02 6.44550000e+02 4.92070000e+02 2.38490000e+02 1.33710000e+02 8.25020000e+01 3.78880000e+01 2.04790000e+01 6.57980000e+00 2.92670000e+00 9.48530000e-01 4.38620000e-01 2.47550000e-01 1.58500000e-01 8.20250000e-02 5.12090000e-02 2.36550000e-02] JK = 6.14798628387 M1 = [ 7.23270000e+04 4.09030000e+04 2.57710000e+04 1.27400000e+04 9.44920000e+03 9.31030000e+03 8.54500000e+03 8.41800000e+03 7.51470000e+03 7.48070000e+03 7.40220000e+03 4.86900000e+03 3.39250000e+03 1.88210000e+03 1.17220000e+03 4.77570000e+02 2.45290000e+02 1.22970000e+02 1.20600000e+02 9.19940000e+01 4.45620000e+01 2.50020000e+01 1.54450000e+01 7.10990000e+00 3.85120000e+00 1.24200000e+00 5.53780000e-01 1.79870000e-01 8.32870000e-02 4.70380000e-02 3.01270000e-02 1.55940000e-02 9.73360000e-03 4.49540000e-03] all other = [ 1.54130000e+05 6.53830000e+04 3.43500000e+04 1.33040000e+04 8.96740000e+03 8.79460000e+03 7.86310000e+03 7.71080000e+03 6.64860000e+03 6.60940000e+03 6.51900000e+03 3.78870000e+03 2.38620000e+03 1.13590000e+03 6.32530000e+02 2.13850000e+02 9.76730000e+01 4.41580000e+01 4.31900000e+01 3.17940000e+01 1.41650000e+01 7.52240000e+00 4.46700000e+00 1.95130000e+00 1.02230000e+00 3.14670000e-01 1.36960000e-01 4.34340000e-02 1.98680000e-02 1.11390000e-02 7.09970000e-03 3.65200000e-03 2.27110000e-03 1.04410000e-03] total = [ 1.37060000e+06 5.45660000e+05 2.73720000e+05 9.99120000e+04 6.59440000e+04 2.10750000e+05 1.88090000e+05 2.53170000e+05 2.18610000e+05 2.51160000e+05 2.45530000e+05 1.42590000e+05 8.87060000e+04 4.14700000e+04 2.27300000e+04 7.46870000e+03 3.34750000e+03 1.48730000e+03 9.14390000e+03 6.88490000e+03 3.21730000e+03 1.74720000e+03 1.05160000e+03 4.66160000e+02 2.45780000e+02 7.60220000e+01 3.30960000e+01 1.04850000e+01 4.79610000e+00 2.69150000e+00 1.71810000e+00 8.86980000e-01 5.53460000e-01 2.55990000e-01] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 7.68990000e+03 5.82100000e+03 2.75000000e+03 1.50150000e+03 9.06710000e+02 4.03490000e+02 2.13160000e+02 6.60780000e+01 2.87910000e+01 9.12770000e+00 4.17680000e+00 2.34480000e+00 1.49730000e+00 7.73530000e-01 4.82940000e-01 2.23600000e-01] [Cd.binding] K = 26.6896 L1 = 3.9944 M5 = 0.4128 M4 = 0.42 M1 = 0.7555 L3 = 3.5353 M3 = 0.6126 M2 = 0.6479 L2 = 3.731 [Po] JL1 = 1.13292076842 JL3 = 2.42625960099 JL2 = 1.3711459443 energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 2.68200000e+00 2.70340000e+00 2.80060000e+00 2.82300000e+00 3.00000000e+00 3.27810000e+00 3.30430000e+00 3.83710000e+00 3.86790000e+00 4.00000000e+00 4.12680000e+00 4.15990000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.38020000e+01 1.39130000e+01 1.50000000e+01 1.62820000e+01 1.64120000e+01 1.69130000e+01 1.70490000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 9.34060000e+01 9.41530000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 4.53995637517 M5 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.70040000e+05 3.78290000e+05 3.70540000e+05 3.19120000e+05 2.51690000e+05 2.46190000e+05 1.61400000e+05 1.57770000e+05 1.43670000e+05 1.31890000e+05 1.29040000e+05 7.54690000e+04 4.36220000e+04 1.76400000e+04 8.50130000e+03 2.84370000e+03 2.76590000e+03 2.12740000e+03 1.59360000e+03 1.54910000e+03 1.39220000e+03 1.35330000e+03 7.62960000e+02 1.70850000e+02 5.73130000e+01 2.42310000e+01 1.19130000e+01 3.86210000e+00 2.10400000e+00 2.03920000e+00 1.61080000e+00 3.34390000e-01 1.12560000e-01 2.60090000e-02 9.90000000e-03 4.89420000e-03 2.84820000e-03 1.28850000e-03 7.42950000e-04 2.99620000e-04] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.07560000e+05 2.26410000e+05 1.81470000e+05 1.77680000e+05 1.17850000e+05 1.15240000e+05 1.04870000e+05 9.60310000e+04 9.40820000e+04 5.59830000e+04 3.27700000e+04 1.34990000e+04 6.60630000e+03 2.26380000e+03 2.20330000e+03 1.70410000e+03 1.28520000e+03 1.25020000e+03 1.12630000e+03 1.09550000e+03 6.25920000e+02 1.45440000e+02 5.02180000e+01 2.17450000e+01 1.09110000e+01 3.65650000e+00 2.02810000e+00 1.96760000e+00 1.56500000e+00 3.39460000e-01 1.17140000e-01 2.75520000e-02 1.04520000e-02 5.09240000e-03 2.90770000e-03 1.26870000e-03 7.07520000e-04 2.74500000e-04] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.78730000e+04 1.39180000e+04 1.05170000e+04 6.72430000e+03 4.60380000e+03 2.56570000e+03 2.52780000e+03 2.19420000e+03 1.87430000e+03 1.84560000e+03 1.74130000e+03 1.71460000e+03 1.25220000e+03 5.44520000e+02 2.93010000e+02 1.78330000e+02 1.17690000e+02 6.00420000e+01 4.14560000e+01 4.06670000e+01 3.51610000e+01 1.29960000e+01 6.34890000e+00 2.32210000e+00 1.15670000e+00 6.85130000e-01 4.52890000e-01 2.42550000e-01 1.53300000e-01 7.03860000e-02] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 9.11780000e+04 7.50870000e+04 7.40960000e+04 6.98870000e+04 6.60280000e+04 6.50620000e+04 4.64150000e+04 3.27580000e+04 1.80190000e+04 1.09670000e+04 5.10780000e+03 5.00890000e+03 4.15630000e+03 3.38220000e+03 3.31470000e+03 3.07090000e+03 3.00900000e+03 1.98930000e+03 6.61970000e+02 2.91790000e+02 1.51590000e+02 8.77990000e+01 3.64790000e+01 2.25830000e+01 2.20300000e+01 1.82640000e+01 5.14040000e+00 2.09850000e+00 6.11710000e-01 2.65320000e-01 1.43040000e-01 8.83680000e-02 4.32890000e-02 2.58690000e-02 1.11280000e-02] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.77150000e+04 2.73830000e+04 2.65180000e+04 2.63300000e+04 2.07190000e+04 1.57570000e+04 9.62730000e+03 6.27110000e+03 3.19380000e+03 3.13820000e+03 2.65530000e+03 2.20790000e+03 2.16820000e+03 2.02380000e+03 1.98690000e+03 1.36750000e+03 5.02790000e+02 2.37850000e+02 1.30610000e+02 7.92150000e+01 3.54410000e+01 2.28470000e+01 2.23350000e+01 1.88130000e+01 5.89590000e+00 2.59480000e+00 8.34800000e-01 3.84690000e-01 2.15900000e-01 1.37200000e-01 6.97320000e-02 4.28390000e-02 1.91450000e-02] total = [ 1.98190000e+06 8.99300000e+05 4.89760000e+05 2.56030000e+05 7.21510000e+05 6.10440000e+05 9.06080000e+05 7.44020000e+05 5.95080000e+05 6.74020000e+05 4.66530000e+05 4.84930000e+05 4.47540000e+05 4.14970000e+05 4.25110000e+05 2.72260000e+05 1.73800000e+05 8.43560000e+04 4.77050000e+04 2.07010000e+04 5.02260000e+04 4.10900000e+04 3.28550000e+04 4.50490000e+04 4.18520000e+04 4.74150000e+04 3.15770000e+04 1.09300000e+04 5.07820000e+03 2.78130000e+03 1.69450000e+03 7.71620000e+02 5.04300000e+02 2.28950000e+03 1.96610000e+03 6.81030000e+02 3.19350000e+02 1.11140000e+02 5.39730000e+01 3.15340000e+01 2.06860000e+01 1.10050000e+01 6.94300000e+00 3.19340000e+00] JM2 = 1.03944012175 JM3 = 1.13265443302 K = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 1796.1 1548. 543.72 256.63 89.843 43.781 25.648 16.862 9.0001 5.6906 2.6251] JM1 = 1.02443550136 M = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.70040000e+05 3.78290000e+05 6.78100000e+05 5.45530000e+05 4.33150000e+05 5.15050000e+05 3.54340000e+05 3.74820000e+05 3.45810000e+05 3.20470000e+05 3.32380000e+05 2.12500000e+05 1.35430000e+05 6.55100000e+04 3.69500000e+04 1.59750000e+04 1.56440000e+04 1.28370000e+04 1.03430000e+04 1.01280000e+04 9.35460000e+03 9.15940000e+03 5.99790000e+03 2.02560000e+03 9.30170000e+02 5.06500000e+02 3.07520000e+02 1.39480000e+02 9.10180000e+01 8.90390000e+01 7.54140000e+01 2.47060000e+01 1.12720000e+01 3.82220000e+00 1.82700000e+00 1.05410000e+00 6.84210000e-01 3.58130000e-01 2.23460000e-01 1.01230000e-01] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.99520000e+04 2.44390000e+04 1.94270000e+04 3.18990000e+04 2.97030000e+04 3.55180000e+04 2.37740000e+04 8.28480000e+03 3.86090000e+03 2.11740000e+03 1.29100000e+03 5.88270000e+02 3.84550000e+02 3.76220000e+02 3.18810000e+02 1.04740000e+02 4.78460000e+01 1.62490000e+01 7.77700000e+00 4.49250000e+00 2.91960000e+00 1.53120000e+00 9.56720000e-01 4.34390000e-01] JM4 = 1.48430640194 JM5 = 2.81806819513 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.28800000e+04 1.21460000e+04 1.18940000e+04 7.88520000e+03 2.67940000e+03 1.20430000e+03 6.37880000e+02 3.76740000e+02 1.62470000e+02 1.02950000e+02 1.00560000e+02 8.41840000e+01 2.54600000e+01 1.09900000e+01 3.46460000e+00 1.58040000e+00 8.81820000e-01 5.58300000e-01 2.82600000e-01 1.73080000e-01 7.71630000e-02] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.99520000e+04 2.44390000e+04 1.94270000e+04 1.90200000e+04 1.75570000e+04 1.71860000e+04 1.10250000e+04 3.33750000e+03 1.39610000e+03 6.99460000e+02 3.94580000e+02 1.58140000e+02 9.62790000e+01 9.38470000e+01 7.73400000e+01 2.10400000e+01 8.43410000e+00 2.41320000e+00 1.03750000e+00 5.56590000e-01 3.42840000e-01 1.67410000e-01 1.00150000e-01 4.30210000e-02] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 6.43750000e+03 4.86390000e+03 2.26780000e+03 1.26060000e+03 7.80080000e+02 5.19650000e+02 2.67670000e+02 1.85320000e+02 1.81810000e+02 1.57290000e+02 5.82370000e+01 2.84220000e+01 1.03710000e+01 5.15910000e+00 3.05410000e+00 2.01840000e+00 1.08110000e+00 6.83490000e-01 3.14200000e-01] all other = [ 1.98190000e+06 8.99300000e+05 4.89760000e+05 2.56030000e+05 2.51470000e+05 2.32150000e+05 2.27990000e+05 1.98490000e+05 1.61930000e+05 1.58970000e+05 1.12190000e+05 1.10110000e+05 1.01730000e+05 9.44960000e+04 9.27280000e+04 5.97520000e+04 3.83780000e+04 1.88470000e+04 1.07560000e+04 4.72590000e+03 4.62990000e+03 3.81370000e+03 3.08450000e+03 3.02140000e+03 2.79460000e+03 2.73730000e+03 1.80510000e+03 6.19300000e+02 2.87090000e+02 1.57380000e+02 9.60200000e+01 4.38690000e+01 2.87290000e+01 2.81090000e+01 2.38370000e+01 7.86620000e+00 3.60370000e+00 1.22740000e+00 5.88150000e-01 3.39810000e-01 2.20790000e-01 1.15670000e-01 7.22070000e-02 3.27240000e-02] [Po.binding] K = 93.499 L1 = 16.9302 M5 = 2.6846 M4 = 2.8034 M1 = 4.131 L3 = 13.8163 M3 = 3.2813 M2 = 3.841 L2 = 16.2982 [Pm] JL1 = 1.13130755064 JL3 = 2.74749193165 JL2 = 1.33943675988 energy = [ 1.00000000e+00 1.03340000e+00 1.04170000e+00 1.05850000e+00 1.06700000e+00 1.34550000e+00 1.35630000e+00 1.46040000e+00 1.47210000e+00 1.50000000e+00 1.62400000e+00 1.63700000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 6.44520000e+00 6.49680000e+00 7.01240000e+00 7.06860000e+00 7.38780000e+00 7.44690000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 4.51800000e+01 4.55420000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 5.55399899477 M5 = [ 0.00000000e+00 0.00000000e+00 5.62900000e+05 1.14950000e+06 1.18900000e+06 6.60030000e+05 6.47090000e+05 5.37330000e+05 5.26530000e+05 5.01870000e+05 4.12020000e+05 4.03700000e+05 2.34470000e+05 7.15810000e+04 2.90890000e+04 1.40420000e+04 7.59670000e+03 5.94140000e+03 5.77990000e+03 4.43350000e+03 4.31190000e+03 3.69370000e+03 3.59150000e+03 2.78780000e+03 1.24850000e+03 2.74580000e+02 9.00820000e+01 1.78650000e+01 5.52480000e+00 3.34560000e+00 3.23720000e+00 2.20020000e+00 1.03270000e+00 3.12850000e-01 1.24410000e-01 2.39830000e-02 7.75210000e-03 1.71550000e-03 6.34170000e-04 3.11690000e-04 1.81220000e-04 8.17730000e-05 4.73180000e-05 1.94470000e-05] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.56770000e+05 4.55400000e+05 4.46600000e+05 3.71920000e+05 3.64560000e+05 3.47730000e+05 2.85990000e+05 2.80250000e+05 1.64280000e+05 5.08840000e+04 2.08810000e+04 1.01620000e+04 5.53640000e+03 4.34290000e+03 4.22630000e+03 3.25150000e+03 3.16330000e+03 2.71490000e+03 2.64070000e+03 2.05590000e+03 9.29900000e+02 2.08660000e+02 6.95810000e+01 1.41680000e+01 4.47570000e+00 2.73660000e+00 2.64970000e+00 1.81480000e+00 8.65220000e-01 2.68880000e-01 1.09070000e-01 2.17170000e-02 7.13040000e-03 1.58030000e-03 5.78310000e-04 2.75050000e-04 1.54420000e-04 6.68830000e-05 3.62170000e-05 1.43600000e-05] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.93440000e+04 3.82630000e+04 2.07970000e+04 1.28530000e+04 8.66190000e+03 6.19590000e+03 5.41460000e+03 5.33330000e+03 4.61240000e+03 4.54270000e+03 4.17350000e+03 4.10970000e+03 3.57480000e+03 2.29580000e+03 9.91020000e+02 5.30930000e+02 2.11560000e+02 1.07020000e+02 7.96400000e+01 7.81030000e+01 6.20820000e+01 3.93910000e+01 1.88940000e+01 1.05520000e+01 3.58660000e+00 1.65480000e+00 5.61330000e-01 2.66670000e-01 1.53090000e-01 9.90450000e-02 5.18250000e-02 3.24540000e-02 1.49350000e-02] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.09050000e+05 1.90160000e+05 1.88470000e+05 1.84210000e+05 1.64290000e+05 1.62270000e+05 1.18610000e+05 5.73200000e+04 3.17610000e+04 1.94050000e+04 1.27070000e+04 1.07040000e+04 1.05000000e+04 8.71960000e+03 8.55050000e+03 7.66580000e+03 7.51510000e+03 6.27970000e+03 3.53230000e+03 1.16940000e+03 5.10920000e+02 1.50440000e+02 6.10560000e+01 4.13730000e+01 4.03260000e+01 2.98370000e+01 1.64730000e+01 6.37200000e+00 3.02970000e+00 7.83970000e-01 3.04250000e-01 8.38360000e-02 3.53770000e-02 1.87890000e-02 1.15510000e-02 5.67010000e-03 3.41560000e-03 1.50560000e-03] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 8.01020000e+04 7.70950000e+04 7.23690000e+04 7.17440000e+04 5.48010000e+04 2.88810000e+04 1.67750000e+04 1.05760000e+04 7.09210000e+03 6.03300000e+03 5.92390000e+03 4.96430000e+03 4.87280000e+03 4.39370000e+03 4.31190000e+03 3.63560000e+03 2.10100000e+03 7.30840000e+02 3.31020000e+02 1.02830000e+02 4.34610000e+01 2.99840000e+01 2.92610000e+01 2.19580000e+01 1.24740000e+01 5.05940000e+00 2.50030000e+00 6.95740000e-01 2.84100000e-01 8.34160000e-02 3.63990000e-02 1.97400000e-02 1.22310000e-02 6.02160000e-03 3.62060000e-03 1.57380000e-03] total = [ 4.92460000e+05 4.63570000e+05 1.01970000e+06 1.59290000e+06 1.98260000e+06 1.39390000e+06 1.57680000e+06 1.33530000e+06 1.39170000e+06 1.33410000e+06 1.12390000e+06 1.15340000e+06 7.31370000e+05 2.77750000e+05 1.35770000e+05 7.70240000e+04 4.81450000e+04 3.99710000e+04 1.09820000e+05 9.04410000e+04 1.21140000e+05 1.08600000e+05 1.22860000e+05 1.02800000e+05 5.78950000e+04 1.96900000e+04 9.02180000e+03 2.94620000e+03 1.31750000e+03 9.35110000e+02 5.19360000e+03 4.04610000e+03 2.51310000e+03 1.15430000e+03 6.24300000e+02 2.01120000e+02 8.98420000e+01 2.94140000e+01 1.37310000e+01 7.80990000e+00 5.02950000e+00 2.62120000e+00 1.64030000e+00 7.56190000e-01] JM2 = 1.04223769939 JM3 = 1.1312145778 K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.27930000e+03 3.34370000e+03 2.09420000e+03 9.69740000e+02 5.26800000e+02 1.70550000e+02 7.63390000e+01 2.50370000e+01 1.17000000e+01 6.65990000e+00 4.29220000e+00 2.23980000e+00 1.40310000e+00 6.47920000e-01] JM1 = 1.02624788682 M = [ 0.00000000e+00 0.00000000e+00 5.62900000e+05 1.14950000e+06 1.54580000e+06 1.11540000e+06 1.30270000e+06 1.09940000e+06 1.15970000e+06 1.11090000e+06 9.34660000e+05 9.67310000e+05 6.10420000e+05 2.29460000e+05 1.11360000e+05 6.28480000e+04 3.91280000e+04 3.24360000e+04 3.17630000e+04 2.59810000e+04 2.54410000e+04 2.26420000e+04 2.21690000e+04 1.83340000e+04 1.01070000e+04 3.37450000e+03 1.53250000e+03 4.96860000e+02 2.21540000e+02 1.57080000e+02 1.53580000e+02 1.17890000e+02 7.02360000e+01 3.09070000e+01 1.63160000e+01 5.11200000e+00 2.25800000e+00 7.31870000e-01 3.39660000e-01 1.92210000e-01 1.23160000e-01 6.36650000e-02 3.95740000e-02 1.80480000e-02] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 7.06680000e+04 5.83700000e+04 8.97340000e+04 8.06290000e+04 9.54660000e+04 8.01090000e+04 4.53410000e+04 1.54750000e+04 7.10040000e+03 2.32060000e+03 1.03790000e+03 7.36670000e+02 7.20280000e+02 5.53320000e+02 3.29980000e+02 1.45380000e+02 7.67900000e+01 2.40690000e+01 1.06310000e+01 3.44540000e+00 1.59910000e+00 9.05140000e-01 5.80370000e-01 3.00210000e-01 1.86750000e-01 8.52630000e-02] JM4 = 1.24464812606 JM5 = 2.19966779559 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.25970000e+04 2.96350000e+04 2.89640000e+04 2.41330000e+04 1.33990000e+04 4.26090000e+03 1.83150000e+03 5.35040000e+02 2.18210000e+02 1.48560000e+02 1.44850000e+02 1.07670000e+02 6.01500000e+01 2.38560000e+01 1.16210000e+01 3.16820000e+00 1.27980000e+00 3.71640000e-01 1.61310000e-01 8.70820000e-02 5.38500000e-02 2.64420000e-02 1.58640000e-02 6.90620000e-03] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 7.06680000e+04 5.83700000e+04 5.71370000e+04 5.09940000e+04 4.99660000e+04 4.13930000e+04 2.19790000e+04 6.65280000e+03 2.75930000e+03 7.63970000e+02 2.99260000e+02 2.00140000e+02 1.94920000e+02 1.42900000e+02 7.76100000e+01 2.93770000e+01 1.37760000e+01 3.49520000e+00 1.34240000e+00 3.66010000e-01 1.53650000e-01 8.15480000e-02 5.00430000e-02 2.45210000e-02 1.47820000e-02 6.48080000e-03] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.65370000e+04 1.45830000e+04 9.96280000e+03 4.56080000e+03 2.50960000e+03 1.02160000e+03 5.20430000e+02 3.87970000e+02 3.80500000e+02 3.02750000e+02 1.92220000e+02 9.21440000e+01 5.13930000e+01 1.74050000e+01 8.00890000e+00 2.70770000e+00 1.28420000e+00 7.36510000e-01 4.76470000e-01 2.49250000e-01 1.56110000e-01 7.18760000e-02] all other = [ 4.92460000e+05 4.63570000e+05 4.56780000e+05 4.43360000e+05 4.36810000e+05 2.78500000e+05 2.74070000e+05 2.35860000e+05 2.32030000e+05 2.23230000e+05 1.89200000e+05 1.86060000e+05 1.20950000e+05 4.82860000e+04 2.44100000e+04 1.41760000e+04 9.01730000e+03 7.53490000e+03 7.38510000e+03 6.08930000e+03 5.96740000e+03 5.33410000e+03 5.22680000e+03 4.35310000e+03 2.44690000e+03 8.41380000e+02 3.88860000e+02 1.28730000e+02 5.80710000e+01 4.13560000e+01 4.04440000e+01 3.11450000e+01 1.86600000e+01 8.27420000e+00 4.39030000e+00 1.38510000e+00 6.14260000e-01 1.99940000e-01 9.29890000e-02 5.26850000e-02 3.37960000e-02 1.74860000e-02 1.08760000e-02 4.96350000e-03] [Pm.binding] K = 45.2257 L1 = 7.3952 M5 = 1.0345 M4 = 1.0596 M1 = 1.6256 L3 = 6.4517 M3 = 1.3469 M2 = 1.4619 L2 = 7.0195 [Ho] JL1 = 1.13197707874 JL3 = 2.65231124339 JL2 = 1.34531700394 energy = [ 1.00000000e+00 1.35370000e+00 1.36460000e+00 1.39380000e+00 1.40500000e+00 1.50000000e+00 1.72680000e+00 1.74060000e+00 1.90890000e+00 1.92410000e+00 2.00000000e+00 2.10120000e+00 2.11800000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 8.05340000e+00 8.11790000e+00 8.92010000e+00 8.99150000e+00 9.35280000e+00 9.42770000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 5.56550000e+01 5.61010000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 5.29270670327 M5 = [ 0.00000000e+00 0.00000000e+00 3.68890000e+05 8.72580000e+05 8.82570000e+05 7.54430000e+05 5.22790000e+05 5.12130000e+05 4.02760000e+05 3.94400000e+05 3.56110000e+05 3.14730000e+05 3.08200000e+05 1.15880000e+05 4.84860000e+04 2.39320000e+04 1.31890000e+04 4.97980000e+03 4.86660000e+03 4.73410000e+03 3.40830000e+03 3.31430000e+03 2.88560000e+03 2.80550000e+03 2.27640000e+03 5.19640000e+02 1.75070000e+02 3.59690000e+01 1.13810000e+01 4.60970000e+00 2.97940000e+00 2.88410000e+00 2.19220000e+00 6.76690000e-01 2.72570000e-01 5.35830000e-02 1.75210000e-02 3.92670000e-03 1.46700000e-03 7.17080000e-04 4.15600000e-04 1.90340000e-04 1.10050000e-04 4.52940000e-05] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.28940000e+05 5.22600000e+05 3.63850000e+05 3.56550000e+05 2.81540000e+05 2.75790000e+05 2.49440000e+05 2.20810000e+05 2.16210000e+05 8.26900000e+04 3.50290000e+04 1.74530000e+04 9.69590000e+03 3.70930000e+03 3.62620000e+03 3.52900000e+03 2.55280000e+03 2.48330000e+03 2.16620000e+03 2.10700000e+03 1.71510000e+03 4.00410000e+02 1.37350000e+02 2.90440000e+01 9.40550000e+00 3.88430000e+00 2.53510000e+00 2.45580000e+00 1.87840000e+00 5.95950000e-01 2.45250000e-01 4.99550000e-02 1.66340000e-02 3.74980000e-03 1.37830000e-03 6.64960000e-04 3.75580000e-04 1.60690000e-04 8.85440000e-05 3.38660000e-05] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.81540000e+04 2.35900000e+04 1.51890000e+04 1.04510000e+04 7.58100000e+03 4.46180000e+03 4.40580000e+03 4.33960000e+03 3.62500000e+03 3.57000000e+03 3.30920000e+03 3.25850000e+03 2.90470000e+03 1.28320000e+03 6.98880000e+02 2.85290000e+02 1.46840000e+02 8.63470000e+01 6.65900000e+01 6.53070000e+01 5.53960000e+01 2.70330000e+01 1.52980000e+01 5.31940000e+00 2.49190000e+00 8.62020000e-01 4.14460000e-01 2.39780000e-01 1.56010000e-01 8.20440000e-02 5.14780000e-02 2.36650000e-02] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.75060000e+05 1.51390000e+05 1.49770000e+05 1.41560000e+05 1.30920000e+05 1.29230000e+05 7.21400000e+04 4.14380000e+04 2.59670000e+04 1.73330000e+04 8.82480000e+03 8.68330000e+03 8.51640000e+03 6.75870000e+03 6.62640000e+03 6.00660000e+03 5.88760000e+03 5.07370000e+03 1.74470000e+03 7.82320000e+02 2.38610000e+02 9.91230000e+01 4.92790000e+01 3.50650000e+01 3.41840000e+01 2.75750000e+01 1.08810000e+01 5.24820000e+00 1.38970000e+00 5.46870000e-01 1.53040000e-01 6.50360000e-02 3.47610000e-02 2.13620000e-02 1.04700000e-02 6.30980000e-03 2.75540000e-03] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 6.30920000e+04 5.90010000e+04 5.65160000e+04 5.60320000e+04 3.44030000e+04 2.11590000e+04 1.38400000e+04 9.54100000e+03 5.09140000e+03 5.01530000e+03 4.92550000e+03 3.96490000e+03 3.89190000e+03 3.54900000e+03 3.48310000e+03 3.02980000e+03 1.10650000e+03 5.17950000e+02 1.68190000e+02 7.32140000e+01 3.78060000e+01 2.74120000e+01 2.67610000e+01 2.18470000e+01 9.09120000e+00 4.57730000e+00 1.31350000e+00 5.46860000e-01 1.64410000e-01 7.27280000e-02 3.97620000e-02 2.48310000e-02 1.23230000e-02 7.44510000e-03 3.26350000e-03] total = [ 7.13610000e+05 3.96450000e+05 7.59010000e+05 1.24630000e+06 1.47930000e+06 1.59870000e+06 1.12620000e+06 1.27930000e+06 1.02900000e+06 1.07300000e+06 9.80770000e+05 8.79740000e+05 9.01870000e+05 3.98810000e+05 1.96900000e+05 1.12390000e+05 7.05820000e+04 3.35040000e+04 3.29260000e+04 8.73300000e+04 6.83430000e+04 9.19430000e+04 8.34160000e+04 9.44250000e+04 8.14300000e+04 2.83470000e+04 1.31370000e+04 4.34950000e+03 1.96230000e+03 1.05280000e+03 7.79620000e+02 4.12630000e+03 3.45870000e+03 1.61950000e+03 8.85770000e+02 2.90780000e+02 1.31450000e+02 4.36990000e+01 2.05980000e+01 1.17920000e+01 7.62740000e+00 3.99390000e+00 2.50390000e+00 1.15300000e+00] JM2 = 1.04275996113 JM3 = 1.13594388208 K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.36400000e+03 2.82750000e+03 1.33910000e+03 7.36700000e+02 2.43480000e+02 1.10360000e+02 3.67810000e+01 1.73620000e+01 9.95090000e+00 6.44310000e+00 3.37950000e+00 2.12140000e+00 9.78840000e-01] JM1 = 1.02515515948 M = [ 0.00000000e+00 0.00000000e+00 3.68890000e+05 8.72580000e+05 1.11150000e+06 1.27700000e+06 8.86640000e+05 1.04370000e+06 8.35690000e+05 8.83060000e+05 8.06110000e+05 7.22970000e+05 7.47830000e+05 3.28700000e+05 1.61300000e+05 9.16420000e+04 5.73400000e+04 2.70670000e+04 2.65970000e+04 2.60450000e+04 2.03100000e+04 1.98860000e+04 1.79160000e+04 1.75420000e+04 1.50000000e+04 5.05440000e+03 2.31160000e+03 7.57100000e+02 3.39970000e+02 1.81930000e+02 1.34580000e+02 1.31590000e+02 1.08890000e+02 4.82780000e+01 2.56410000e+01 8.12610000e+00 3.61980000e+00 1.18710000e+00 5.55070000e-01 3.15690000e-01 2.02990000e-01 1.05190000e-01 6.54320000e-02 2.97630000e-02] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.50830000e+04 4.31550000e+04 6.72760000e+04 6.11770000e+04 7.26480000e+04 6.27900000e+04 2.20270000e+04 1.02360000e+04 3.39520000e+03 1.53260000e+03 8.22440000e+02 6.09100000e+02 5.95610000e+02 4.93130000e+02 2.19080000e+02 1.16480000e+02 3.69550000e+01 1.64680000e+01 5.40250000e+00 2.52700000e+00 1.43790000e+00 9.25020000e-01 4.79970000e-01 2.98840000e-01 1.36130000e-01] JM4 = 1.18695338201 JM5 = 1.91451633245 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.50200000e+04 2.30190000e+04 2.24900000e+04 1.92690000e+04 6.49600000e+03 2.87540000e+03 8.71850000e+02 3.64500000e+02 1.83150000e+02 1.31250000e+02 1.28030000e+02 1.03790000e+02 4.20700000e+01 2.08260000e+01 5.83290000e+00 2.39720000e+00 7.11170000e-01 3.12530000e-01 1.70240000e-01 1.05920000e-01 5.23940000e-02 3.16180000e-02 1.38150000e-02] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.50830000e+04 4.31550000e+04 4.22570000e+04 3.81580000e+04 3.73790000e+04 3.19880000e+04 9.95870000e+03 4.21530000e+03 1.19880000e+03 4.78210000e+02 2.31510000e+02 1.62840000e+02 1.58620000e+02 1.27100000e+02 4.88880000e+01 2.31970000e+01 6.00160000e+00 2.33290000e+00 6.44730000e-01 2.72330000e-01 1.45060000e-01 8.91310000e-02 4.36330000e-02 2.62630000e-02 1.14840000e-02] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.27790000e+04 1.15330000e+04 5.57270000e+03 3.14560000e+03 1.32460000e+03 6.89900000e+02 4.07780000e+02 3.15010000e+02 3.08960000e+02 2.62250000e+02 1.28120000e+02 7.24520000e+01 2.51200000e+01 1.17380000e+01 4.04660000e+00 1.94210000e+00 1.12260000e+00 7.29970000e-01 3.83950000e-01 2.40950000e-01 1.10840000e-01] all other = [ 7.13610000e+05 3.96450000e+05 3.90130000e+05 3.73740000e+05 3.67740000e+05 3.21640000e+05 2.39590000e+05 2.35560000e+05 1.93280000e+05 1.89970000e+05 1.74670000e+05 1.56770000e+05 1.54040000e+05 7.01060000e+04 3.55960000e+04 2.07440000e+04 1.32420000e+04 6.43650000e+03 6.32890000e+03 6.20220000e+03 4.87930000e+03 4.78090000e+03 4.32240000e+03 4.23490000e+03 3.63990000e+03 1.26480000e+03 5.89110000e+02 1.97200000e+02 8.96800000e+01 4.83950000e+01 3.59320000e+01 3.51440000e+01 2.91430000e+01 1.30290000e+01 6.95810000e+00 2.22280000e+00 9.94480000e-01 3.27690000e-01 1.53590000e-01 8.74800000e-02 5.63000000e-02 2.92130000e-02 1.81840000e-02 8.27700000e-03] [Ho.binding] K = 55.711 L1 = 9.3622 M5 = 1.3551 M4 = 1.3952 M1 = 2.1033 L3 = 8.0614 M3 = 1.7285 M2 = 1.9108 L2 = 8.929 [Hf] JL1 = 1.13223262545 JL3 = 2.58342728298 JL2 = 1.35133111785 energy = [ 1.00000000e+00 1.50000000e+00 1.66690000e+00 1.68020000e+00 1.72380000e+00 1.73760000e+00 2.00000000e+00 2.09690000e+00 2.11370000e+00 2.35630000e+00 2.37520000e+00 2.57460000e+00 2.59520000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 9.54840000e+00 9.62490000e+00 1.00000000e+01 1.07530000e+01 1.08390000e+01 1.12380000e+01 1.13280000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 6.54380000e+01 6.59620000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 5.07894620454 M5 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.23900000e+05 6.72390000e+05 6.79890000e+05 4.85630000e+05 4.28480000e+05 4.19530000e+05 3.14060000e+05 3.07400000e+05 2.49070000e+05 2.43820000e+05 1.63270000e+05 7.01310000e+04 3.52380000e+04 1.96970000e+04 7.60030000e+03 4.14790000e+03 4.03490000e+03 3.53300000e+03 2.73950000e+03 2.66360000e+03 2.34500000e+03 2.27980000e+03 8.29600000e+02 2.85120000e+02 6.02130000e+01 1.94040000e+01 7.96390000e+00 3.82660000e+00 2.69690000e+00 2.61150000e+00 1.19920000e+00 4.88230000e-01 9.75520000e-02 3.21940000e-02 7.28700000e-03 2.73490000e-03 1.34640000e-03 7.82120000e-04 3.55590000e-04 2.02990000e-04 8.55110000e-05] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.43090000e+05 3.40860000e+05 3.01380000e+05 2.95190000e+05 2.22010000e+05 2.17370000e+05 1.76530000e+05 1.72800000e+05 1.16860000e+05 5.08820000e+04 2.58430000e+04 1.45770000e+04 5.70800000e+03 3.14590000e+03 3.06150000e+03 2.68670000e+03 2.09220000e+03 2.03520000e+03 1.79540000e+03 1.74630000e+03 6.46680000e+02 2.26650000e+02 4.93750000e+01 1.63100000e+01 6.83410000e+00 3.34260000e+00 2.37630000e+00 2.30290000e+00 1.07840000e+00 4.49120000e-01 9.32150000e-02 3.13900000e-02 7.17310000e-03 2.65800000e-03 1.27860000e-03 7.28170000e-04 3.14810000e-04 1.75180000e-04 6.59890000e-05] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.04180000e+04 2.56660000e+04 1.67560000e+04 1.17790000e+04 8.67790000e+03 5.20040000e+03 3.74280000e+03 3.68680000e+03 3.42810000e+03 2.98240000e+03 2.93700000e+03 2.73940000e+03 2.69740000e+03 1.54510000e+03 8.52830000e+02 3.54700000e+02 1.85070000e+02 1.09980000e+02 7.11790000e+01 5.76900000e+01 5.65810000e+01 3.52130000e+01 2.01360000e+01 7.13220000e+00 3.38320000e+00 1.18960000e+00 5.77760000e-01 3.36480000e-01 2.19890000e-01 1.16220000e-01 7.30570000e-02 3.35580000e-02] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.49350000e+05 1.24600000e+05 1.23130000e+05 1.08070000e+05 1.06620000e+05 8.32160000e+04 4.97000000e+04 3.18410000e+04 2.16070000e+04 1.12580000e+04 7.37690000e+03 7.23450000e+03 6.58650000e+03 5.50310000e+03 5.39480000e+03 4.92770000e+03 4.82960000e+03 2.33410000e+03 1.06780000e+03 3.34730000e+02 1.41650000e+02 7.13860000e+01 4.03730000e+01 3.06980000e+01 2.99320000e+01 1.61870000e+01 7.89740000e+00 2.13050000e+00 8.47850000e-01 2.40250000e-01 1.02720000e-01 5.50260000e-02 3.39420000e-02 1.66130000e-02 9.99430000e-03 4.34030000e-03] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.12130000e+04 4.58100000e+04 4.54310000e+04 3.74110000e+04 2.43680000e+04 1.64770000e+04 1.16350000e+04 6.43030000e+03 4.35410000e+03 4.27660000e+03 3.92250000e+03 3.32000000e+03 3.25900000e+03 2.99550000e+03 2.94010000e+03 1.49330000e+03 7.18190000e+02 2.41810000e+02 1.07850000e+02 5.67070000e+01 3.32360000e+01 2.57140000e+01 2.51120000e+01 1.41270000e+01 7.22360000e+00 2.12680000e+00 8.99920000e-01 2.75960000e-01 1.23510000e-01 6.80140000e-02 4.26750000e-02 2.13440000e-02 1.29590000e-02 5.70990000e-03] total = [ 9.85300000e+05 4.38200000e+05 3.50990000e+05 5.69000000e+05 9.99150000e+05 1.14420000e+06 1.06340000e+06 9.43430000e+05 1.07390000e+06 8.25430000e+05 8.60960000e+05 7.14400000e+05 7.31590000e+05 5.21450000e+05 2.60140000e+05 1.49380000e+05 9.42230000e+04 4.49910000e+04 2.83840000e+04 7.33280000e+04 6.69180000e+04 5.47660000e+04 7.40070000e+04 6.77140000e+04 7.66680000e+04 3.73840000e+04 1.74400000e+04 5.84980000e+03 2.65940000e+03 1.43490000e+03 8.64130000e+02 6.78310000e+02 3.44510000e+03 2.07340000e+03 1.14940000e+03 3.83730000e+02 1.75240000e+02 5.90170000e+01 2.80500000e+01 1.61480000e+01 1.04860000e+01 5.51450000e+00 3.46270000e+00 1.59350000e+00] JM2 = 1.04304423149 JM3 = 1.1382932491 K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.78180000e+03 1.68680000e+03 9.42750000e+02 3.17500000e+02 1.45510000e+02 4.91640000e+01 2.34110000e+01 1.34980000e+01 8.77620000e+00 4.62480000e+00 2.90850000e+00 1.34150000e+00] JM1 = 1.02406215006 M = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.23900000e+05 6.72390000e+05 8.22980000e+05 8.26490000e+05 7.29860000e+05 8.64060000e+05 6.60660000e+05 6.99110000e+05 5.79480000e+05 5.99090000e+05 4.26430000e+05 2.11840000e+05 1.21180000e+05 7.61930000e+04 3.61970000e+04 2.27670000e+04 2.22940000e+04 2.01570000e+04 1.66370000e+04 1.62900000e+04 1.48030000e+04 1.44930000e+04 6.84880000e+03 3.15060000e+03 1.04080000e+03 4.70280000e+02 2.52880000e+02 1.51960000e+02 1.19170000e+02 1.16540000e+02 6.78040000e+01 3.61940000e+01 1.15800000e+01 5.19450000e+00 1.72020000e+00 8.09390000e-01 4.62150000e-01 2.98020000e-01 1.54840000e-01 9.63880000e-02 4.37600000e-02] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.55300000e+04 4.17700000e+04 3.39840000e+04 5.36570000e+04 4.92110000e+04 5.85500000e+04 2.87870000e+04 1.34700000e+04 4.53240000e+03 2.06240000e+03 1.11340000e+03 6.70630000e+02 5.26460000e+02 5.14860000e+02 3.00040000e+02 1.60400000e+02 5.14050000e+01 2.30730000e+01 7.64630000e+00 3.60010000e+00 2.05700000e+00 1.32740000e+00 6.90730000e-01 4.30390000e-01 1.95760000e-01] JM4 = 1.14517339739 JM5 = 1.62112880709 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.03720000e+04 1.89050000e+04 1.84650000e+04 8.93420000e+03 4.02350000e+03 1.25780000e+03 5.36900000e+02 2.73920000e+02 1.57090000e+02 1.20380000e+02 1.17470000e+02 6.48310000e+01 3.25220000e+01 9.31480000e+00 3.88350000e+00 1.17280000e+00 5.20940000e-01 2.85620000e-01 1.78740000e-01 8.90150000e-02 5.39460000e-02 2.37100000e-02] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.55300000e+04 4.17700000e+04 3.39840000e+04 3.32850000e+04 3.03060000e+04 2.96810000e+04 1.34510000e+04 5.77020000e+03 1.67760000e+03 6.78750000e+02 3.32150000e+02 1.83900000e+02 1.38530000e+02 1.34970000e+02 7.16500000e+01 3.43170000e+01 9.01700000e+00 3.53870000e+00 9.88610000e-01 4.19800000e-01 2.24020000e-01 1.37860000e-01 6.74530000e-02 4.05290000e-02 1.76280000e-02] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.04030000e+04 6.40130000e+03 3.67640000e+03 1.59700000e+03 8.46790000e+02 5.07290000e+02 3.29640000e+02 2.67540000e+02 2.62420000e+02 1.63560000e+02 9.35640000e+01 3.30730000e+01 1.56510000e+01 5.48500000e+00 2.65930000e+00 1.54740000e+00 1.01080000e+00 5.34270000e-01 3.35910000e-01 1.54430000e-01] all other = [ 9.85300000e+05 4.38200000e+05 3.50990000e+05 3.45100000e+05 3.26760000e+05 3.21240000e+05 2.36950000e+05 2.13570000e+05 2.09840000e+05 1.64770000e+05 1.61850000e+05 1.34930000e+05 1.32500000e+05 9.50270000e+04 4.83060000e+04 2.82000000e+04 1.80300000e+04 8.79390000e+03 5.61610000e+03 5.50310000e+03 4.99130000e+03 4.14430000e+03 4.06030000e+03 3.70020000e+03 3.62500000e+03 1.74840000e+03 8.18980000e+02 2.76550000e+02 1.26640000e+02 6.86950000e+01 4.15440000e+01 3.26730000e+01 3.19580000e+01 1.87000000e+01 1.00400000e+01 3.24030000e+00 1.46050000e+00 4.86020000e-01 2.29280000e-01 1.31120000e-01 8.46360000e-02 4.40390000e-02 2.74270000e-02 1.24630000e-02] [Hf.binding] K = 65.5038 L1 = 11.2489 M5 = 1.6685 M4 = 1.7256 M1 = 2.5772 L3 = 9.558 M3 = 2.099 M2 = 2.3586 L2 = 10.7637 [K] energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 3.57970000e+00 3.60840000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 5.03460000e+03 1.63350000e+03 6.98470000e+02 1.97850000e+02 1.11900000e+02 1.09030000e+02 7.77820000e+01 3.69480000e+01 1.98470000e+01 7.27000000e+00 3.27630000e+00 7.45090000e-01 2.54470000e-01 5.45580000e-02 1.80780000e-02 7.65400000e-03 3.79470000e-03 1.26060000e-03 5.40570000e-04 1.19570000e-04 4.23910000e-05 1.05240000e-05 4.16340000e-06 2.11420000e-06 1.25350000e-06 5.81400000e-07 3.36720000e-07 1.39280000e-07] M = [ 2.35960000e+04 8.63890000e+03 4.11910000e+03 1.40420000e+03 8.70540000e+02 8.51850000e+02 6.43110000e+02 3.47960000e+02 2.09450000e+02 9.29750000e+01 4.90690000e+01 1.50690000e+01 6.41700000e+00 1.88820000e+00 7.81680000e-01 3.91680000e-01 2.21860000e-01 9.00030000e-02 4.45790000e-02 1.24500000e-02 5.08380000e-03 1.48890000e-03 6.50360000e-04 3.54590000e-04 2.22260000e-04 1.12750000e-04 7.00740000e-05 3.28060000e-05] L = [ 2.39410000e+05 8.31340000e+04 3.84470000e+04 1.26920000e+04 7.77960000e+03 7.60900000e+03 5.70810000e+03 3.04850000e+03 1.81700000e+03 7.95880000e+02 4.16490000e+02 1.26310000e+02 5.34600000e+01 1.56120000e+01 6.43670000e+00 3.21690000e+00 1.81890000e+00 7.36140000e-01 3.64060000e-01 1.01460000e-01 4.14070000e-02 1.21170000e-02 5.29070000e-03 2.88410000e-03 1.80740000e-03 9.16700000e-04 5.69630000e-04 2.66460000e-04] L2 = [ 5.84770000e+04 1.78860000e+04 7.40140000e+03 2.02710000e+03 1.13290000e+03 1.10320000e+03 7.81690000e+02 3.66130000e+02 1.94630000e+02 7.03650000e+01 3.14730000e+01 7.07400000e+00 2.40100000e+00 5.11280000e-01 1.68770000e-01 7.12890000e-02 3.52810000e-02 1.16920000e-02 5.00510000e-03 1.10870000e-03 3.93090000e-04 9.76040000e-05 3.86050000e-05 1.96040000e-05 1.16350000e-05 5.40540000e-06 3.13190000e-06 1.30200000e-06] L3 = [ 1.14340000e+05 3.48070000e+04 1.43530000e+04 3.91000000e+03 2.17970000e+03 2.12240000e+03 1.50140000e+03 7.00710000e+02 3.71280000e+02 1.33460000e+02 5.93980000e+01 1.32070000e+01 4.44080000e+00 9.30260000e-01 3.02770000e-01 1.26280000e-01 6.17790000e-02 2.00670000e-02 8.44610000e-03 1.80170000e-03 6.24890000e-04 1.52300000e-04 6.05640000e-05 3.13310000e-05 1.89630000e-05 9.26340000e-06 5.65190000e-06 2.58530000e-06] M3 = [ 9.85020000e+03 3.18120000e+03 1.35560000e+03 3.81870000e+02 2.15410000e+02 2.09860000e+02 1.49480000e+02 7.07440000e+01 3.78750000e+01 1.37930000e+01 6.18640000e+00 1.38840000e+00 4.69720000e-01 9.90690000e-02 3.23590000e-02 1.35280000e-02 6.62790000e-03 2.15750000e-03 9.08990000e-04 1.94540000e-04 6.75510000e-05 1.64820000e-05 6.55050000e-06 3.38900000e-06 2.05400000e-06 1.00510000e-06 6.13290000e-07 2.80970000e-07] L1 = [ 6.65960000e+04 3.04400000e+04 1.66930000e+04 6.75490000e+03 4.46710000e+03 4.38340000e+03 3.42500000e+03 1.98170000e+03 1.25110000e+03 5.92050000e+02 3.25610000e+02 1.06030000e+02 4.66180000e+01 1.41710000e+01 5.96520000e+00 3.01930000e+00 1.72180000e+00 7.04380000e-01 3.50610000e-01 9.85480000e-02 4.03890000e-02 1.18670000e-02 5.19150000e-03 2.83310000e-03 1.77680000e-03 9.02030000e-04 5.60840000e-04 2.62570000e-04] JK = 8.97649883418 M1 = [ 8.71110000e+03 3.82430000e+03 2.06500000e+03 8.24490000e+02 5.43230000e+02 5.32970000e+02 4.15850000e+02 2.40270000e+02 1.51730000e+02 7.19120000e+01 3.96060000e+01 1.29360000e+01 5.69280000e+00 1.73460000e+00 7.31240000e-01 3.70490000e-01 2.11440000e-01 8.65840000e-02 4.31300000e-02 1.21360000e-02 4.97380000e-03 1.46190000e-03 6.39650000e-04 3.49090000e-04 2.18950000e-04 1.11160000e-04 6.91240000e-05 3.23860000e-05] all other = [ 2.12510000e+02 9.29100000e+01 5.02320000e+01 2.00190000e+01 1.31850000e+01 1.29360000e+01 1.00910000e+01 5.82910000e+00 3.68060000e+00 1.74440000e+00 9.60690000e-01 3.13730000e-01 1.38210000e-01 4.21220000e-02 1.77600000e-02 8.99860000e-03 5.13570000e-03 2.10320000e-03 1.04770000e-03 2.94810000e-04 1.20830000e-04 3.55250000e-05 1.55550000e-05 8.49780000e-06 5.33850000e-06 2.72140000e-06 1.70360000e-06 8.19690000e-07] total = [ 2.63220000e+05 9.18660000e+04 4.26170000e+04 1.41160000e+04 8.66340000e+03 7.77670000e+04 5.99650000e+04 3.35810000e+04 2.07150000e+04 9.46350000e+03 5.07290000e+03 1.58350000e+03 6.78610000e+02 2.00280000e+02 8.29400000e+01 4.15450000e+01 2.35200000e+01 9.53040000e+00 4.71550000e+00 1.31430000e+00 5.36010000e-01 1.56770000e-01 6.84370000e-02 3.73050000e-02 2.33830000e-02 1.18650000e-02 7.38040000e-03 3.45570000e-03] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 6.92930000e+04 5.36040000e+04 3.01790000e+04 1.86850000e+04 8.57290000e+03 4.60640000e+03 1.44180000e+03 6.18590000e+02 1.82730000e+02 7.57040000e+01 3.79280000e+01 2.14740000e+01 8.70220000e+00 4.30580000e+00 1.20010000e+00 4.89400000e-01 1.43130000e-01 6.24800000e-02 3.40580000e-02 2.13480000e-02 1.08330000e-02 6.73900000e-03 3.15560000e-03] [K.binding] K = 3.5833 L1 = 0.3712 M1 = 0.0405 L3 = 0.2986 M3 = 0.0235 M2 = 0.0238 L2 = 0.3017 [He] energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0.] L = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0.] all other = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0.] total = [ 4.01770000e+02 1.08880000e+02 4.32220000e+01 1.11710000e+01 4.23410000e+00 2.02580000e+00 1.09910000e+00 4.11030000e-01 1.94100000e-01 4.87480000e-02 1.82860000e-02 4.56790000e-03 1.70510000e-03 7.94530000e-04 4.25940000e-04 1.59650000e-04 7.48410000e-05 1.91610000e-05 7.42770000e-06 2.04880000e-06 8.66210000e-07 4.63530000e-07 2.87600000e-07 1.44870000e-07 9.02750000e-08 4.31470000e-08] K = [ 4.01770000e+02 1.08880000e+02 4.32220000e+01 1.11710000e+01 4.23410000e+00 2.02580000e+00 1.09910000e+00 4.11030000e-01 1.94100000e-01 4.87480000e-02 1.82860000e-02 4.56790000e-03 1.70510000e-03 7.94530000e-04 4.25940000e-04 1.59650000e-04 7.48410000e-05 1.91610000e-05 7.42770000e-06 2.04880000e-06 8.66210000e-07 4.63530000e-07 2.87600000e-07 1.44870000e-07 9.02750000e-08 4.31470000e-08] [He.binding] K = 0.0234 [Md] JL1 = 1.13095784737 JL3 = 2.25852312916 JL2 = 1.41510238908 energy = [ 1.00000000e+00 1.02750000e+00 1.03580000e+00 1.09890000e+00 1.10770000e+00 1.40230000e+00 1.41350000e+00 1.50000000e+00 1.80580000e+00 1.82030000e+00 2.00000000e+00 2.00160000e+00 2.01760000e+00 3.00000000e+00 4.00000000e+00 4.61140000e+00 4.64830000e+00 4.89230000e+00 4.93150000e+00 5.00000000e+00 5.53360000e+00 5.57790000e+00 6.00000000e+00 7.00570000e+00 7.06180000e+00 7.42630000e+00 7.48570000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 2.13600000e+01 2.15310000e+01 2.75790000e+01 2.78000000e+01 2.84980000e+01 2.87260000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.46620000e+02 1.47800000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 3.73819888066 M5 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.88390000e+05 1.77930000e+05 1.74260000e+05 1.68270000e+05 1.29650000e+05 1.26850000e+05 1.03090000e+05 6.51380000e+04 6.36860000e+04 5.50000000e+04 5.36980000e+04 4.38120000e+04 2.21220000e+04 5.98350000e+03 2.26190000e+03 1.80290000e+03 1.75390000e+03 7.34850000e+02 7.14260000e+02 6.53820000e+02 6.35470000e+02 5.44150000e+02 1.91580000e+02 8.39750000e+01 4.24850000e+01 1.43650000e+01 6.18190000e+00 1.46490000e+00 1.42190000e+00 1.34560000e+00 4.67230000e-01 1.11340000e-01 4.27150000e-02 2.12110000e-02 1.23540000e-02 5.63690000e-03 3.21550000e-03 1.29590000e-03] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.17900000e+05 1.25500000e+05 9.66820000e+04 9.47930000e+04 7.83400000e+04 5.03250000e+04 4.91640000e+04 4.24950000e+04 4.15690000e+04 3.43460000e+04 1.76720000e+04 4.96620000e+03 1.93680000e+03 1.55390000e+03 1.51290000e+03 6.52320000e+02 6.34670000e+02 5.82660000e+02 5.66820000e+02 4.87750000e+02 1.77940000e+02 8.03020000e+01 4.16310000e+01 1.46440000e+01 6.49800000e+00 1.61890000e+00 1.57290000e+00 1.49120000e+00 5.34470000e-01 1.31290000e-01 5.07590000e-02 2.51310000e-02 1.45220000e-02 6.52880000e-03 3.65440000e-03 1.44050000e-03] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 7.97860000e+03 7.22720000e+03 5.37590000e+03 2.87640000e+03 1.75460000e+03 1.55920000e+03 1.53670000e+03 9.67960000e+02 9.53230000e+02 9.08740000e+02 8.94860000e+02 8.22880000e+02 4.64220000e+02 2.92310000e+02 1.98210000e+02 1.05440000e+02 6.37600000e+01 2.63480000e+01 2.58610000e+01 2.49830000e+01 1.27270000e+01 4.93800000e+00 2.56010000e+00 1.55960000e+00 1.05150000e+00 5.76500000e-01 3.68240000e-01 1.69710000e-01] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.51290000e+04 4.84940000e+04 3.74650000e+04 3.68970000e+04 3.34160000e+04 3.28870000e+04 2.87720000e+04 1.84720000e+04 7.64550000e+03 3.86960000e+03 3.29280000e+03 3.22890000e+03 1.72900000e+03 1.69380000e+03 1.58840000e+03 1.55580000e+03 1.38920000e+03 6.44230000e+02 3.47540000e+02 2.07380000e+02 9.01250000e+01 4.66320000e+01 1.48360000e+01 1.44850000e+01 1.38560000e+01 5.84910000e+00 1.76960000e+00 7.80430000e-01 4.23900000e-01 2.62450000e-01 1.28350000e-01 7.63370000e-02 3.22440000e-02] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.25360000e+04 1.19430000e+04 1.18360000e+04 1.11870000e+04 8.33070000e+03 4.37670000e+03 2.53770000e+03 2.22170000e+03 2.18600000e+03 1.29930000e+03 1.27710000e+03 1.21010000e+03 1.18920000e+03 1.08080000e+03 5.61050000e+02 3.29580000e+02 2.10650000e+02 1.01940000e+02 5.72890000e+01 2.09660000e+01 2.05280000e+01 1.97420000e+01 9.22810000e+00 3.19600000e+00 1.53760000e+00 8.88130000e-01 5.75900000e-01 3.00800000e-01 1.87380000e-01 8.55750000e-02] total = [ 3.17690000e+06 3.02120000e+06 3.10750000e+06 3.00110000e+06 3.04600000e+06 2.05270000e+06 2.15100000e+06 1.91520000e+06 1.31180000e+06 1.30490000e+06 1.06920000e+06 1.06740000e+06 1.06760000e+06 4.46170000e+05 2.30350000e+05 1.64960000e+05 3.50270000e+05 3.21300000e+05 4.32830000e+05 4.29900000e+05 3.33200000e+05 3.81620000e+05 3.17900000e+05 2.13360000e+05 2.21550000e+05 1.95270000e+05 1.99380000e+05 1.69030000e+05 9.71440000e+04 3.49570000e+04 1.67460000e+04 1.41380000e+04 3.19310000e+04 1.64080000e+04 2.32190000e+04 2.17780000e+04 2.46300000e+04 2.21030000e+04 1.06970000e+04 6.01150000e+03 3.74070000e+03 1.75760000e+03 9.74450000e+02 3.53780000e+02 1.32250000e+03 1.27780000e+03 6.24950000e+02 2.30210000e+02 1.16010000e+02 6.95720000e+01 4.64870000e+01 2.52720000e+01 1.60920000e+01 7.41990000e+00] JM2 = 1.03838582677 JM3 = 1.14531812725 K = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 976.13 944.7 468.45 174.97 88.892 53.631 36.001 19.691 12.583 5.8223] JM1 = 1.02104778 M = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.88390000e+05 1.77930000e+05 2.92150000e+05 2.93770000e+05 2.26330000e+05 2.76770000e+05 2.29930000e+05 1.52930000e+05 1.62280000e+05 1.42850000e+05 1.47970000e+05 1.25340000e+05 7.19720000e+04 2.58480000e+04 1.23610000e+04 1.04310000e+04 1.02180000e+04 5.38350000e+03 5.27310000e+03 4.94380000e+03 4.84220000e+03 4.32480000e+03 2.03900000e+03 1.13370000e+03 7.00360000e+02 3.26510000e+02 1.80360000e+02 6.52330000e+01 6.38690000e+01 6.14180000e+01 2.88060000e+01 1.01460000e+01 4.97160000e+00 2.91790000e+00 1.91670000e+00 1.01780000e+00 6.38830000e-01 2.90270000e-01] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.80810000e+04 9.10190000e+03 1.60620000e+04 1.50670000e+04 1.80570000e+04 1.62310000e+04 7.92410000e+03 4.46810000e+03 2.78660000e+03 1.31220000e+03 7.28220000e+02 2.64600000e+02 2.59090000e+02 2.49170000e+02 1.17080000e+02 4.13420000e+01 2.03030000e+01 1.19410000e+01 7.85880000e+00 4.18550000e+00 2.63260000e+00 1.19950000e+00] JM4 = 1.34712107065 JM5 = 2.12336323957 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 7.15600000e+03 6.74660000e+03 6.66970000e+03 5.97820000e+03 2.97790000e+03 1.67670000e+03 1.03880000e+03 4.81350000e+02 2.62380000e+02 9.18980000e+01 8.99100000e+01 8.63390000e+01 3.93300000e+01 1.32500000e+01 6.28520000e+00 3.60070000e+00 2.32280000e+00 1.20660000e+00 7.49660000e-01 3.41270000e-01] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.80810000e+04 9.10190000e+03 8.90610000e+03 8.32040000e+03 8.13920000e+03 7.21160000e+03 3.12920000e+03 1.61430000e+03 9.31860000e+02 3.86840000e+02 1.94160000e+02 5.91920000e+01 5.77460000e+01 5.51580000e+01 2.27230000e+01 6.70310000e+00 2.91990000e+00 1.57520000e+00 9.71320000e-01 4.73130000e-01 2.80890000e-01 1.18820000e-01] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.24810000e+03 3.04110000e+03 1.81710000e+03 1.17710000e+03 8.15920000e+02 4.44030000e+02 2.71680000e+02 1.13510000e+02 1.11430000e+02 1.07670000e+02 5.50290000e+01 2.13900000e+01 1.10980000e+01 6.76550000e+00 4.56460000e+00 2.50580000e+00 1.60200000e+00 7.39410000e-01] all other = [ 3.17690000e+06 3.02120000e+06 3.10750000e+06 3.00110000e+06 3.04600000e+06 2.05270000e+06 2.15100000e+06 1.91520000e+06 1.31180000e+06 1.30490000e+06 1.06920000e+06 1.06740000e+06 1.06760000e+06 4.46170000e+05 2.30350000e+05 1.64960000e+05 1.61880000e+05 1.43360000e+05 1.40670000e+05 1.36140000e+05 1.06870000e+05 1.04850000e+05 8.79760000e+04 6.04340000e+04 5.92710000e+04 5.24180000e+04 5.14060000e+04 4.36840000e+04 2.51710000e+04 9.10870000e+03 4.38510000e+03 3.70710000e+03 3.63220000e+03 1.92300000e+03 1.88390000e+03 1.76720000e+03 1.73120000e+03 1.54760000e+03 7.33760000e+02 4.09620000e+02 2.53820000e+02 1.18860000e+02 6.58750000e+01 2.39460000e+01 2.34480000e+01 2.25510000e+01 1.06150000e+01 3.75190000e+00 1.84160000e+00 1.08180000e+00 7.11280000e-01 3.77930000e-01 2.37270000e-01 1.07790000e-01] [Md.binding] K = 146.7714 L1 = 28.5266 M5 = 4.616 M4 = 4.8972 M1 = 7.4337 L3 = 21.3815 M3 = 5.5392 M2 = 7.0127 L2 = 27.607 [Mg] energy = [ 1.00000000e+00 1.29320000e+00 1.30350000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 11.801222258 M = [ 9.70910000e+02 5.40470000e+02 5.30490000e+02 3.80980000e+02 1.89050000e+02 6.71060000e+01 3.12200000e+01 1.69660000e+01 1.02040000e+01 4.49360000e+00 2.34460000e+00 6.98310000e-01 2.89890000e-01 8.20460000e-02 3.30430000e-02 1.62130000e-02 9.03100000e-03 3.57220000e-03 1.73700000e-03 4.70630000e-04 1.88600000e-04 5.40310000e-05 2.33190000e-05 1.26330000e-05 7.88900000e-06 3.99830000e-06 2.49340000e-06 1.18770000e-06] L = [ 3.61750000e+04 1.81140000e+04 1.77260000e+04 1.20910000e+04 5.46850000e+03 1.75060000e+03 7.69070000e+02 4.02880000e+02 2.36170000e+02 1.00560000e+02 5.13750000e+01 1.48630000e+01 6.07870000e+00 1.69450000e+00 6.77090000e-01 3.30760000e-01 1.83680000e-01 7.23740000e-02 3.51130000e-02 9.48610000e-03 3.79650000e-03 1.08640000e-03 4.68560000e-04 2.53610000e-04 1.58290000e-04 8.00330000e-05 4.97410000e-05 2.33830000e-05] L2 = [ 5.62500000e+03 2.43890000e+03 2.37560000e+03 1.48890000e+03 5.59590000e+02 1.34760000e+02 4.76450000e+01 2.09250000e+01 1.05700000e+01 3.53170000e+00 1.48710000e+00 3.01120000e-01 9.57810000e-02 1.89450000e-02 5.97560000e-03 2.44460000e-03 1.18000000e-03 3.77260000e-04 1.57430000e-04 3.33360000e-05 1.15230000e-05 2.77580000e-06 1.08120000e-06 5.43930000e-07 3.18980000e-07 1.46890000e-07 8.49850000e-08 3.47430000e-08] L3 = [ 1.10840000e+04 4.79870000e+03 4.67370000e+03 2.92680000e+03 1.09790000e+03 2.63600000e+02 9.29750000e+01 4.07420000e+01 2.05370000e+01 6.83470000e+00 2.86790000e+00 5.76470000e-01 1.82050000e-01 3.54280000e-02 1.10480000e-02 4.47000000e-03 2.13780000e-03 6.71250000e-04 2.76020000e-04 5.68740000e-05 1.93170000e-05 4.61040000e-06 1.81260000e-06 9.29950000e-07 5.64660000e-07 2.74960000e-07 1.67800000e-07 7.69980000e-08] L1 = [ 1.94660000e+04 1.08760000e+04 1.06770000e+04 7.67570000e+03 3.81100000e+03 1.35220000e+03 6.28450000e+02 3.41210000e+02 2.05060000e+02 9.01970000e+01 4.70200000e+01 1.39850000e+01 5.80090000e+00 1.64010000e+00 6.60060000e-01 3.23840000e-01 1.80360000e-01 7.13260000e-02 3.46800000e-02 9.39590000e-03 3.76560000e-03 1.07900000e-03 4.65670000e-04 2.52140000e-04 1.57400000e-04 7.96110000e-05 4.94880000e-05 2.32710000e-05] M1 = [ 9.70910000e+02 5.40470000e+02 5.30490000e+02 3.80980000e+02 1.89050000e+02 6.71060000e+01 3.12200000e+01 1.69660000e+01 1.02040000e+01 4.49360000e+00 2.34460000e+00 6.98310000e-01 2.89890000e-01 8.20460000e-02 3.30430000e-02 1.62130000e-02 9.03100000e-03 3.57220000e-03 1.73700000e-03 4.70630000e-04 1.88600000e-04 5.40310000e-05 2.33190000e-05 1.26330000e-05 7.88900000e-06 3.99830000e-06 2.49340000e-06 1.18770000e-06] all other = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0.] total = [ 3.71460000e+04 1.86540000e+04 2.20140000e+05 1.61520000e+05 7.78860000e+04 2.65140000e+04 1.19500000e+04 6.34150000e+03 3.74530000e+03 1.60760000e+03 8.24660000e+02 2.39660000e+02 9.81830000e+01 2.73870000e+01 1.09410000e+01 5.34140000e+00 2.96500000e+00 1.16750000e+00 5.66150000e-01 1.52820000e-01 6.11230000e-02 1.74760000e-02 7.53390000e-03 4.08240000e-03 2.54830000e-03 1.28860000e-03 8.00990000e-04 3.76620000e-04] K = [ 0.00000000e+00 0.00000000e+00 2.01890000e+05 1.49050000e+05 7.22290000e+04 2.46960000e+04 1.11490000e+04 5.92160000e+03 3.49890000e+03 1.50250000e+03 7.70940000e+02 2.24100000e+02 9.18150000e+01 2.56100000e+01 1.02310000e+01 4.99440000e+00 2.77230000e+00 1.09160000e+00 5.29300000e-01 1.42860000e-01 5.71370000e-02 1.63360000e-02 7.04200000e-03 3.81620000e-03 2.38210000e-03 1.20460000e-03 7.48750000e-04 3.52050000e-04] [Mg.binding] M1 = 0.0069 K = 1.2945 L2 = 0.0566 L3 = 0.0562 L1 = 0.0895 [Mo] JL1 = 1.12184979839 JL3 = 3.58460782938 JL2 = 1.36329561018 energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 2.51840000e+00 2.53860000e+00 2.62700000e+00 2.64800000e+00 2.84390000e+00 2.86660000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 1.99460000e+01 2.00000000e+01 2.01060000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 8.20050000e+04 4.06910000e+04 2.29180000e+04 1.38990000e+04 1.36530000e+04 1.26390000e+04 1.24120000e+04 1.05360000e+04 1.03430000e+04 9.30240000e+03 4.62670000e+03 2.60990000e+03 1.60430000e+03 7.20950000e+02 3.78120000e+02 1.11220000e+02 4.53990000e+01 4.50090000e+01 4.42580000e+01 1.20440000e+01 4.61230000e+00 2.16770000e+00 1.16390000e+00 4.34040000e-01 2.01840000e-01 5.07930000e-02 1.95210000e-02 5.32010000e-03 2.22130000e-03 1.16940000e-03 7.10510000e-04 3.40370000e-04 2.01330000e-04 8.56440000e-05] M = [ 7.23000000e+05 2.77820000e+05 1.36880000e+05 7.65910000e+04 7.50540000e+04 6.87890000e+04 6.74030000e+04 5.61500000e+04 5.50120000e+04 4.89410000e+04 2.31500000e+04 1.28250000e+04 7.86880000e+03 3.60530000e+03 1.95380000e+03 6.32580000e+02 2.83300000e+02 2.81130000e+02 2.76970000e+02 8.83900000e+01 3.85340000e+01 2.01350000e+01 1.18110000e+01 5.06400000e+00 2.61700000e+00 7.87170000e-01 3.37580000e-01 1.05050000e-01 4.75430000e-02 2.64810000e-02 1.68080000e-02 8.61300000e-03 5.35090000e-03 2.46560000e-03] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.22750000e+05 2.00560000e+05 3.02890000e+05 2.54540000e+05 2.94480000e+05 2.64690000e+05 1.27700000e+05 7.16300000e+04 4.41980000e+04 2.03570000e+04 1.10440000e+04 3.57090000e+03 1.59670000e+03 1.58440000e+03 1.56090000e+03 4.97080000e+02 2.16380000e+02 1.12930000e+02 6.61740000e+01 2.83300000e+01 1.46250000e+01 4.39110000e+00 1.88090000e+00 5.84960000e-01 2.64580000e-01 1.47330000e-01 9.35090000e-02 4.79220000e-02 2.97780000e-02 1.37270000e-02] M5 = [ 2.46790000e+05 7.46300000e+04 2.99800000e+04 1.39570000e+04 1.35860000e+04 1.20980000e+04 1.17740000e+04 9.22170000e+03 8.97190000e+03 7.66670000e+03 2.76550000e+03 1.21820000e+03 6.12430000e+02 2.00900000e+02 8.26850000e+01 1.56860000e+01 4.71410000e+00 4.66000000e+00 4.55660000e+00 8.13780000e-01 2.32460000e-01 8.75600000e-02 3.94070000e-02 1.12160000e-02 4.26990000e-03 7.63600000e-04 2.36890000e-04 5.02300000e-05 1.81700000e-05 8.79020000e-06 5.13520000e-06 2.30790000e-06 1.35540000e-06 5.66710000e-07] M4 = [ 1.69220000e+05 5.15080000e+04 2.07900000e+04 9.71750000e+03 9.46040000e+03 8.42910000e+03 8.20470000e+03 6.43480000e+03 6.26130000e+03 5.35500000e+03 1.94270000e+03 8.59900000e+02 4.34190000e+02 1.43500000e+02 5.94420000e+01 1.14320000e+01 3.47580000e+00 3.43630000e+00 3.36090000e+00 6.11840000e-01 1.77540000e-01 6.77770000e-02 3.08580000e-02 8.95140000e-03 3.45680000e-03 6.36840000e-04 1.99150000e-04 4.18450000e-05 1.48230000e-05 6.93100000e-06 3.81630000e-06 1.63410000e-06 8.68320000e-07 3.27660000e-07] L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.06030000e+05 8.79760000e+04 8.64030000e+04 7.74600000e+04 3.57600000e+04 1.92310000e+04 1.13970000e+04 4.86370000e+03 2.46140000e+03 6.85250000e+02 2.71170000e+02 2.68770000e+02 2.64150000e+02 6.95000000e+01 2.61160000e+01 1.21240000e+01 6.45440000e+00 2.38000000e+00 1.09910000e+00 2.74040000e-01 1.04590000e-01 2.83470000e-02 1.18030000e-02 6.20030000e-03 3.76010000e-03 1.80500000e-03 1.06580000e-03 4.54620000e-04] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.22750000e+05 2.00560000e+05 1.96860000e+05 1.66560000e+05 1.63250000e+05 1.44970000e+05 6.57470000e+04 3.48460000e+04 2.04100000e+04 8.56620000e+03 4.27680000e+03 1.16000000e+03 4.50050000e+02 4.45970000e+02 4.38140000e+02 1.11720000e+02 4.09230000e+01 1.85900000e+01 9.70850000e+00 3.46460000e+00 1.55690000e+00 3.68490000e-01 1.35670000e-01 3.52900000e-02 1.44690000e-02 7.59450000e-03 4.63870000e-03 2.26550000e-03 1.37430000e-03 6.13200000e-04] M3 = [ 1.65760000e+05 7.96130000e+04 4.39870000e+04 2.63090000e+04 2.58300000e+04 2.38610000e+04 2.34220000e+04 1.98020000e+04 1.94300000e+04 1.74300000e+04 8.52990000e+03 4.75190000e+03 2.89110000e+03 1.27780000e+03 6.61190000e+02 1.89460000e+02 7.57890000e+01 7.51210000e+01 7.38400000e+01 1.94640000e+01 7.26320000e+00 3.33930000e+00 1.75870000e+00 6.34650000e-01 2.87210000e-01 6.86510000e-02 2.53630000e-02 6.63100000e-03 2.72580000e-03 1.43230000e-03 8.74630000e-04 4.28910000e-04 2.59920000e-04 1.16440000e-04] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.48220000e+04 4.22600000e+04 2.61940000e+04 1.75530000e+04 1.23910000e+04 6.92690000e+03 4.30540000e+03 1.72560000e+03 8.75440000e+02 8.69700000e+02 8.58630000e+02 3.15860000e+02 1.49340000e+02 8.22130000e+01 5.00110000e+01 2.24860000e+01 1.19680000e+01 3.74860000e+00 1.64070000e+00 5.21320000e-01 2.38310000e-01 1.33540000e-01 8.51110000e-02 4.38510000e-02 2.73380000e-02 1.26590000e-02] JK = 6.49301407573 M1 = [ 5.92270000e+04 3.13800000e+04 1.92070000e+04 1.27080000e+04 1.25240000e+04 1.17620000e+04 1.15910000e+04 1.01560000e+04 1.00050000e+04 9.18720000e+03 5.28530000e+03 3.38510000e+03 2.32680000e+03 1.26220000e+03 7.72390000e+02 3.04780000e+02 1.53920000e+02 1.52910000e+02 1.50950000e+02 5.54570000e+01 2.62480000e+01 1.44730000e+01 8.81780000e+00 3.97510000e+00 2.12020000e+00 6.66320000e-01 2.92260000e-01 9.30070000e-02 4.25630000e-02 2.38640000e-02 1.52140000e-02 7.83980000e-03 4.88750000e-03 2.26270000e-03] all other = [ 6.32660000e+04 2.78150000e+04 1.49800000e+04 8.93260000e+03 8.77290000e+03 8.11120000e+03 7.96380000e+03 6.75340000e+03 6.62940000e+03 5.95990000e+03 3.00380000e+03 1.73770000e+03 1.10040000e+03 5.26270000e+02 2.93260000e+02 9.89550000e+01 4.53600000e+01 4.50220000e+01 4.43730000e+01 1.45270000e+01 6.42590000e+00 3.38920000e+00 2.00100000e+00 8.65410000e-01 4.49680000e-01 1.36290000e-01 5.86770000e-02 1.83440000e-02 8.31810000e-03 4.63850000e-03 2.94650000e-03 1.51150000e-03 9.39660000e-04 4.33600000e-04] total = [ 7.86270000e+05 3.05640000e+05 1.51860000e+05 8.55240000e+04 3.06570000e+05 2.77460000e+05 3.78260000e+05 3.17440000e+05 3.56120000e+05 3.19590000e+05 1.53850000e+05 8.61930000e+04 5.31670000e+04 2.44880000e+04 1.32910000e+04 4.30240000e+03 1.92530000e+03 1.25010000e+04 1.24890000e+04 4.37010000e+03 1.98490000e+03 1.06160000e+03 6.31830000e+02 2.75300000e+02 1.43480000e+02 4.35280000e+01 1.87180000e+01 5.83920000e+00 2.64610000e+00 1.47610000e+00 9.38540000e-01 4.82670000e-01 3.00840000e-01 1.39430000e-01] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.05900000e+04 1.06070000e+04 3.77010000e+03 1.72360000e+03 9.25190000e+02 5.51840000e+02 2.41040000e+02 1.25790000e+02 3.82130000e+01 1.64410000e+01 5.13090000e+00 2.32560000e+00 1.29760000e+00 8.25280000e-01 4.24620000e-01 2.64770000e-01 1.22810000e-01] [Mo.binding] K = 19.9658 L1 = 2.8467 M5 = 0.2369 M4 = 0.2404 M1 = 0.4942 L3 = 2.521 M3 = 0.3916 M2 = 0.4097 L2 = 2.6296 [Mn] energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 6.50440000e+00 6.55650000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 1.77860000e+04 6.46680000e+03 3.00020000e+03 9.51120000e+02 4.01870000e+02 2.00860000e+02 1.12260000e+02 8.64220000e+01 8.42060000e+01 4.37300000e+01 2.06490000e+01 5.07490000e+00 1.82260000e+00 4.17160000e-01 1.44520000e-01 6.30680000e-02 3.19750000e-02 1.09630000e-02 4.80290000e-03 1.09910000e-03 3.98040000e-04 1.01300000e-04 4.06720000e-05 2.08710000e-05 1.24450000e-05 5.82880000e-06 3.39560000e-06 1.41830000e-06] M = [ 7.79750000e+04 2.93710000e+04 1.42980000e+04 5.01570000e+03 2.33470000e+03 1.27580000e+03 7.73640000e+02 6.18950000e+02 6.05420000e+02 3.47870000e+02 1.85720000e+02 5.83610000e+01 2.53160000e+01 7.65420000e+00 3.23440000e+00 1.64460000e+00 9.43170000e-01 3.89870000e-01 1.95790000e-01 5.59600000e-02 2.31900000e-02 6.91420000e-03 3.05070000e-03 1.67320000e-03 1.05240000e-03 5.35250000e-04 3.32620000e-04 1.54990000e-04] L = [ 6.58550000e+05 2.41860000e+05 1.14650000e+05 3.88090000e+04 1.76790000e+04 9.52800000e+03 5.72420000e+03 4.56290000e+03 4.46160000e+03 2.54260000e+03 1.34630000e+03 4.17680000e+02 1.79900000e+02 5.39740000e+01 2.27030000e+01 1.15230000e+01 6.59560000e+00 2.71940000e+00 1.36340000e+00 3.88770000e-01 1.60900000e-01 4.79130000e-02 2.11350000e-02 1.15890000e-02 7.28790000e-03 3.70620000e-03 2.30290000e-03 1.07290000e-03] M5 = [ 3.53970000e+03 8.20450000e+02 2.77920000e+02 5.64530000e+01 1.73380000e+01 6.77230000e+00 3.08550000e+00 2.17930000e+00 2.10560000e+00 8.88460000e-01 3.33800000e-01 5.40940000e-02 1.44670000e-02 2.21830000e-03 5.82860000e-04 2.06620000e-04 8.86100000e-05 2.35420000e-05 8.52660000e-06 1.41720000e-06 4.19540000e-07 8.49590000e-08 3.03210000e-08 1.45850000e-08 8.37570000e-09 3.80910000e-09 2.22070000e-09 9.71420000e-10] M4 = [ 2.40670000e+03 5.59350000e+02 1.89880000e+02 3.87020000e+01 1.19220000e+01 4.66890000e+00 2.14380000e+00 1.51620000e+00 1.46510000e+00 6.20140000e-01 2.33960000e-01 3.82490000e-02 1.03120000e-02 1.60350000e-03 4.26100000e-04 1.52480000e-04 6.60250000e-05 1.77870000e-05 6.52190000e-06 1.10060000e-06 3.27470000e-07 6.47020000e-08 2.21940000e-08 1.01030000e-08 5.56070000e-09 2.29380000e-09 1.23010000e-09 4.64520000e-10] L2 = [ 1.85800000e+05 6.30990000e+04 2.77960000e+04 8.26880000e+03 3.36700000e+03 1.64340000e+03 9.03770000e+02 6.91270000e+02 6.73130000e+02 3.44550000e+02 1.60330000e+02 3.85380000e+01 1.36830000e+01 3.09600000e+00 1.06360000e+00 4.62130000e-01 2.33580000e-01 7.97560000e-02 3.48540000e-02 7.94430000e-03 2.86990000e-03 7.31610000e-04 2.93660000e-04 1.50490000e-04 8.97470000e-05 4.21360000e-05 2.45220000e-05 1.03100000e-05] L3 = [ 3.62590000e+05 1.21930000e+05 5.34080000e+04 1.57560000e+04 6.37550000e+03 3.09600000e+03 1.69500000e+03 1.29380000e+03 1.25950000e+03 6.41260000e+02 2.96440000e+02 7.02780000e+01 2.46630000e+01 5.47210000e+00 1.84880000e+00 7.91510000e-01 3.94770000e-01 1.31690000e-01 5.64240000e-02 1.23890000e-02 4.36790000e-03 1.08180000e-03 4.33660000e-04 2.25200000e-04 1.36970000e-04 6.67790000e-05 4.06880000e-05 1.83620000e-05] M3 = [ 3.46450000e+04 1.24970000e+04 5.76530000e+03 1.81270000e+03 7.61120000e+02 3.78440000e+02 2.10550000e+02 1.61740000e+02 1.57560000e+02 8.13720000e+01 3.81650000e+01 9.24940000e+00 3.28410000e+00 7.36540000e-01 2.50520000e-01 1.07730000e-01 5.38890000e-02 1.80460000e-02 7.75160000e-03 1.70730000e-03 6.02800000e-04 1.49840000e-04 6.01500000e-05 3.12090000e-05 1.89710000e-05 9.27970000e-06 5.65460000e-06 2.56400000e-06] L1 = [ 1.10160000e+05 5.68300000e+04 3.34480000e+04 1.47840000e+04 7.93700000e+03 4.78850000e+03 3.12540000e+03 2.57780000e+03 2.52890000e+03 1.55680000e+03 8.89550000e+02 3.08870000e+02 1.41550000e+02 4.54060000e+01 1.97910000e+01 1.02690000e+01 5.96730000e+00 2.50800000e+00 1.27210000e+00 3.68440000e-01 1.53660000e-01 4.61000000e-02 2.04080000e-02 1.12130000e-02 7.06120000e-03 3.59730000e-03 2.23770000e-03 1.04420000e-03] JK = 7.83671666443 M1 = [ 1.95980000e+04 9.02680000e+03 5.06430000e+03 2.15680000e+03 1.14240000e+03 6.85030000e+02 4.45600000e+02 3.67090000e+02 3.60090000e+02 2.21260000e+02 1.26340000e+02 4.39450000e+01 2.01850000e+01 6.49660000e+00 2.83830000e+00 1.47340000e+00 8.57150000e-01 3.60820000e-01 1.83220000e-01 5.31510000e-02 2.21880000e-02 6.66290000e-03 2.94990000e-03 1.62110000e-03 1.02090000e-03 5.20140000e-04 3.23560000e-04 1.51010000e-04] all other = [ 1.36460000e+03 6.20860000e+02 3.46350000e+02 1.46880000e+02 7.80510000e+01 4.67610000e+01 3.04040000e+01 2.50440000e+01 2.45650000e+01 1.50910000e+01 8.61500000e+00 2.99660000e+00 1.37650000e+00 4.43050000e-01 1.93560000e-01 1.00600000e-01 5.85300000e-02 2.46420000e-02 1.25140000e-02 3.63070000e-03 1.51570000e-03 4.55240000e-04 2.01610000e-04 1.10830000e-04 6.98370000e-05 3.56450000e-05 2.22300000e-05 1.04880000e-05] total = [ 7.37890000e+05 2.71850000e+05 1.29300000e+05 4.39710000e+04 2.00920000e+04 1.08510000e+04 6.52830000e+03 5.20690000e+03 4.08050000e+04 2.48050000e+04 1.37080000e+04 4.51420000e+03 2.00140000e+03 6.16070000e+02 2.62030000e+02 1.33780000e+02 7.68450000e+01 3.18050000e+01 1.59750000e+01 4.56310000e+00 1.88920000e+00 5.62630000e-01 2.48140000e-01 1.36100000e-01 8.56220000e-02 4.35880000e-02 2.71120000e-02 1.26600000e-02] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.57140000e+04 2.18990000e+04 1.21670000e+04 4.03510000e+03 1.79480000e+03 5.54000000e+02 2.35900000e+02 1.20510000e+02 6.92480000e+01 2.86710000e+01 1.44040000e+01 4.11470000e+00 1.70360000e+00 5.07350000e-01 2.23750000e-01 1.22720000e-01 7.72120000e-02 3.93110000e-02 2.44540000e-02 1.14210000e-02] [Mn.binding] K = 6.5109 L1 = 0.7665 M5 = 0.0117 M4 = 0.0119 M1 = 0.0926 L3 = 0.6522 M3 = 0.0608 M2 = 0.0621 L2 = 0.663 [O] energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0.] L = [ 6.38730000e+03 2.12670000e+03 9.52650000e+02 2.98630000e+02 1.28260000e+02 6.57620000e+01 3.78610000e+01 1.56610000e+01 7.82780000e+00 2.17970000e+00 8.68240000e-01 2.33540000e-01 9.11790000e-02 4.37970000e-02 2.40170000e-02 9.29420000e-03 4.45290000e-03 1.17940000e-03 4.66490000e-04 1.31680000e-04 5.63760000e-05 3.03830000e-05 1.89200000e-05 9.55140000e-06 5.93870000e-06 2.80430000e-06] L2 = [ 3.57310000e+02 8.56780000e+01 2.99990000e+01 6.50790000e+00 2.13470000e+00 8.84240000e-01 4.27960000e-01 1.35600000e-01 5.51830000e-02 1.06070000e-02 3.25390000e-03 6.11080000e-04 1.86660000e-04 7.46480000e-05 3.54640000e-05 1.10700000e-05 4.54870000e-06 9.38740000e-07 3.19660000e-07 7.54930000e-08 2.90620000e-08 1.44680000e-08 8.47080000e-09 3.85800000e-09 2.20560000e-09 9.06590000e-10] L3 = [ 7.07830000e+02 1.69530000e+02 5.92960000e+01 1.28350000e+01 4.20410000e+00 1.73970000e+00 8.40880000e-01 2.64660000e-01 1.07400000e-01 2.05040000e-02 6.25210000e-03 1.16060000e-03 3.50950000e-04 1.39140000e-04 6.54710000e-05 2.01440000e-05 8.16120000e-06 1.64650000e-06 5.52440000e-07 1.30340000e-07 5.09790000e-08 2.62040000e-08 1.58310000e-08 7.76430000e-09 4.77190000e-09 2.24970000e-09] L1 = [ 5.32210000e+03 1.87150000e+03 8.63360000e+02 2.79290000e+02 1.21930000e+02 6.31390000e+01 3.65920000e+01 1.52610000e+01 7.66520000e+00 2.14860000e+00 8.58740000e-01 2.31770000e-01 9.06410000e-02 4.35830000e-02 2.39160000e-02 9.26300000e-03 4.44020000e-03 1.17690000e-03 4.65620000e-04 1.31470000e-04 5.62960000e-05 3.03420000e-05 1.88960000e-05 9.53980000e-06 5.93170000e-06 2.80120000e-06] all other = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0.] total = [ 1.21920000e+05 4.11160000e+04 1.84290000e+04 5.73940000e+03 2.45220000e+03 1.25370000e+03 7.19910000e+02 2.96700000e+02 1.47870000e+02 4.09620000e+01 1.62650000e+01 4.35990000e+00 1.69900000e+00 8.15090000e-01 4.46580000e-01 1.72620000e-01 8.26350000e-02 2.18580000e-02 8.63720000e-03 2.44150000e-03 1.04540000e-03 5.63460000e-04 3.50860000e-04 1.77080000e-04 1.10090000e-04 5.18920000e-05] K = [ 1.15530000e+05 3.89890000e+04 1.74760000e+04 5.44080000e+03 2.32390000e+03 1.18800000e+03 6.82050000e+02 2.81040000e+02 1.40040000e+02 3.87820000e+01 1.53970000e+01 4.12640000e+00 1.60780000e+00 7.71290000e-01 4.22570000e-01 1.63320000e-01 7.81820000e-02 2.06780000e-02 8.17070000e-03 2.30980000e-03 9.88990000e-04 5.33080000e-04 3.31940000e-04 1.67530000e-04 1.04150000e-04 4.90870000e-05] [O.binding] K = 0.5373 L2 = 0.0142 L3 = 0.0141 L1 = 0.0292 [S] energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 2.45340000e+00 2.47310000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 1.16030000e+03 3.48010000e+02 1.41960000e+02 7.36380000e+01 7.17550000e+01 3.79870000e+01 1.43500000e+01 6.60440000e+00 3.46200000e+00 1.22490000e+00 5.38540000e-01 1.17170000e-01 3.88530000e-02 8.02750000e-03 2.60320000e-03 1.08660000e-03 5.32890000e-04 1.74350000e-04 7.39290000e-05 1.60480000e-05 5.62570000e-06 1.37740000e-06 5.40440000e-07 2.72930000e-07 1.61060000e-07 7.42970000e-08 4.28670000e-08 1.76900000e-08] M = [ 8.08210000e+03 2.98710000e+03 1.44290000e+03 8.52450000e+02 8.35030000e+02 5.04030000e+02 2.34290000e+02 1.27740000e+02 7.72470000e+01 3.44770000e+01 1.82130000e+01 5.58120000e+00 2.36630000e+00 6.89080000e-01 2.82890000e-01 1.40810000e-01 7.93190000e-02 3.19000000e-02 1.56960000e-02 4.33410000e-03 1.75690000e-03 5.10080000e-04 2.21720000e-04 1.20540000e-04 7.54400000e-05 3.82310000e-05 2.37740000e-05 1.11720000e-05] L = [ 1.21100000e+05 4.12880000e+04 1.89420000e+04 1.08120000e+04 1.05770000e+04 6.18850000e+03 2.75780000e+03 1.46180000e+03 8.66020000e+02 3.75730000e+02 1.95070000e+02 5.82080000e+01 2.43250000e+01 6.97550000e+00 2.84080000e+00 1.40700000e+00 7.89890000e-01 3.16260000e-01 1.55200000e-01 4.27320000e-02 1.72940000e-02 5.01370000e-03 2.17780000e-03 1.18360000e-03 7.40470000e-04 3.75050000e-04 2.33070000e-04 1.09240000e-04] L2 = [ 2.59810000e+04 7.52160000e+03 3.00630000e+03 1.53860000e+03 1.49840000e+03 7.84020000e+02 2.91720000e+02 1.33090000e+02 6.93460000e+01 2.43400000e+01 1.06480000e+01 2.29980000e+00 7.59520000e-01 1.56210000e-01 5.05260000e-02 2.10530000e-02 1.03140000e-02 3.36590000e-03 1.43240000e-03 3.10840000e-04 1.09010000e-04 2.67170000e-05 1.05080000e-05 5.32580000e-06 3.14010000e-06 1.45590000e-06 8.40650000e-07 3.48520000e-07] L3 = [ 5.09550000e+04 1.47000000e+04 5.85980000e+03 2.99280000e+03 2.91440000e+03 1.52170000e+03 5.64210000e+02 2.56630000e+02 1.33360000e+02 4.65850000e+01 2.02920000e+01 4.34070000e+00 1.42150000e+00 2.88120000e-01 9.19970000e-02 3.78910000e-02 1.83720000e-02 5.89010000e-03 2.45340000e-03 5.16410000e-04 1.77550000e-04 4.28980000e-05 1.69630000e-05 8.72470000e-06 5.29200000e-06 2.58410000e-06 1.57690000e-06 7.21070000e-07] M3 = [ 2.27540000e+03 6.80030000e+02 2.76650000e+02 1.43200000e+02 1.39530000e+02 7.37070000e+01 2.77410000e+01 1.27000000e+01 6.63900000e+00 2.33740000e+00 1.02330000e+00 2.20480000e-01 7.24940000e-02 1.47590000e-02 4.72320000e-03 1.94790000e-03 9.45410000e-04 3.03470000e-04 1.26620000e-04 2.66740000e-05 9.17690000e-06 2.21840000e-06 8.78130000e-07 4.53540000e-07 2.75010000e-07 1.34920000e-07 8.25740000e-08 3.83200000e-08] L1 = [ 4.41680000e+04 1.90660000e+04 1.00760000e+04 6.28060000e+03 6.16370000e+03 3.88280000e+03 1.90190000e+03 1.07210000e+03 6.63310000e+02 3.04800000e+02 1.64130000e+02 5.15680000e+01 2.21440000e+01 6.53120000e+00 2.69830000e+00 1.34800000e+00 7.61200000e-01 3.07010000e-01 1.51320000e-01 4.19050000e-02 1.70080000e-02 4.94410000e-03 2.15040000e-03 1.16950000e-03 7.32040000e-04 3.71010000e-04 2.30650000e-04 1.08170000e-04] JK = 9.43244170096 M1 = [ 4.64630000e+03 1.95900000e+03 1.02430000e+03 6.35610000e+02 6.23740000e+02 3.92340000e+02 1.92200000e+02 1.08430000e+02 6.71460000e+01 3.09150000e+01 1.66510000e+01 5.24350000e+00 2.25500000e+00 6.66300000e-01 2.75570000e-01 1.37770000e-01 7.78410000e-02 3.14220000e-02 1.54950000e-02 4.29130000e-03 1.74210000e-03 5.06480000e-04 2.20300000e-04 1.19810000e-04 7.50040000e-05 3.80220000e-05 2.36490000e-05 1.11160000e-05] all other = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0.] total = [ 1.29190000e+05 4.42750000e+04 2.03850000e+04 1.16640000e+04 1.10020000e+05 7.11690000e+04 3.36610000e+04 1.84900000e+04 1.11990000e+04 4.98640000e+03 2.62480000e+03 7.95860000e+02 3.34840000e+02 9.65700000e+01 3.94170000e+01 1.95410000e+01 1.09760000e+01 4.39600000e+00 2.15720000e+00 5.93360000e-01 2.40030000e-01 6.95430000e-02 3.01990000e-02 1.64100000e-02 1.02670000e-02 5.20530000e-03 3.23590000e-03 1.51800000e-03] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 9.86060000e+04 6.44770000e+04 3.06690000e+04 1.69000000e+04 1.02560000e+04 4.57620000e+03 2.41160000e+03 7.32070000e+02 3.08150000e+02 8.89060000e+01 3.62930000e+01 1.79930000e+01 1.01060000e+01 4.04790000e+00 1.98630000e+00 5.46300000e-01 2.20980000e-01 6.40200000e-02 2.77990000e-02 1.51060000e-02 9.45100000e-03 4.79210000e-03 2.97900000e-03 1.39750000e-03] [S.binding] K = 2.4559 L1 = 0.226 M1 = 0.0209 L3 = 0.1714 M3 = 0.0103 M2 = 0.0103 L2 = 0.1727 [W] JL1 = 1.13226375742 JL3 = 2.55814040189 JL2 = 1.35453965469 energy = [ 1.00000000e+00 1.50000000e+00 1.81420000e+00 1.82870000e+00 1.87920000e+00 1.89420000e+00 2.00000000e+00 2.26890000e+00 2.28710000e+00 2.56580000e+00 2.58640000e+00 2.79510000e+00 2.81750000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.01950000e+01 1.02770000e+01 1.15620000e+01 1.16550000e+01 1.20690000e+01 1.21660000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 6.96460000e+01 7.02030000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 4.99292830388 M5 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.72600000e+05 5.99180000e+05 6.05320000e+05 5.46400000e+05 3.91630000e+05 3.83360000e+05 2.81160000e+05 2.75130000e+05 2.24200000e+05 2.19460000e+05 1.85120000e+05 8.03660000e+04 4.06430000e+04 2.28270000e+04 8.87840000e+03 4.15310000e+03 3.88440000e+03 3.77860000e+03 2.50260000e+03 2.43320000e+03 2.15090000e+03 2.09100000e+03 9.86260000e+02 3.41480000e+02 7.28780000e+01 2.36520000e+01 9.75750000e+00 4.70710000e+00 2.58900000e+00 2.50740000e+00 1.48390000e+00 6.06650000e-01 1.22000000e-01 4.04100000e-02 9.18190000e-03 3.45220000e-03 1.70080000e-03 9.84990000e-04 4.48010000e-04 2.55980000e-04 1.07150000e-04] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.13670000e+05 3.78140000e+05 2.76270000e+05 2.70550000e+05 1.99550000e+05 1.95340000e+05 1.59560000e+05 1.56170000e+05 1.32150000e+05 5.83910000e+04 2.98650000e+04 1.69280000e+04 6.69160000e+03 3.17010000e+03 2.96820000e+03 2.88860000e+03 1.92740000e+03 1.87480000e+03 1.66060000e+03 1.61520000e+03 7.72360000e+02 2.72910000e+02 6.01320000e+01 2.00170000e+01 8.43520000e+00 4.14390000e+00 2.31430000e+00 2.24320000e+00 1.34570000e+00 5.63090000e-01 1.17740000e-01 3.98280000e-02 9.14950000e-03 3.40150000e-03 1.63980000e-03 9.28900000e-04 4.06160000e-04 2.23350000e-04 8.54330000e-05] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.76540000e+04 2.57970000e+04 1.71760000e+04 1.22780000e+04 9.07340000e+03 5.48790000e+03 3.63660000e+03 3.50680000e+03 3.45440000e+03 2.75730000e+03 2.71520000e+03 2.53830000e+03 2.49940000e+03 1.65290000e+03 9.16980000e+02 3.84210000e+02 2.01550000e+02 1.20270000e+02 7.80970000e+01 5.45180000e+01 5.34720000e+01 3.88410000e+01 2.23020000e+01 7.95690000e+00 3.79310000e+00 1.34240000e+00 6.54690000e-01 3.82320000e-01 2.50290000e-01 1.32560000e-01 8.33940000e-02 3.83000000e-02] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.37350000e+05 1.14550000e+05 1.13170000e+05 9.95770000e+04 9.82200000e+04 8.80760000e+04 5.31550000e+04 3.42810000e+04 2.33750000e+04 1.23050000e+04 7.24770000e+03 6.91390000e+03 6.78030000e+03 5.06600000e+03 4.96600000e+03 4.54860000e+03 4.45780000e+03 2.59760000e+03 1.19770000e+03 3.79390000e+02 1.61710000e+02 8.19270000e+01 4.65270000e+01 2.91260000e+01 2.84020000e+01 1.87700000e+01 9.19850000e+00 2.49970000e+00 9.99160000e-01 2.84520000e-01 1.21930000e-01 6.53920000e-02 4.03240000e-02 1.97540000e-02 1.18630000e-02 5.14910000e-03] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.64900000e+04 4.19140000e+04 4.15760000e+04 3.84760000e+04 2.53010000e+04 1.74230000e+04 1.24640000e+04 6.98000000e+03 4.30100000e+03 4.11850000e+03 4.04530000e+03 3.09340000e+03 3.03670000e+03 2.79930000e+03 2.74750000e+03 1.66540000e+03 8.09850000e+02 2.76650000e+02 1.24610000e+02 6.59880000e+01 3.88950000e+01 2.51190000e+01 2.45350000e+01 1.66730000e+01 8.57830000e+00 2.55190000e+00 1.08680000e+00 3.35920000e-01 1.51070000e-01 8.34460000e-02 5.24310000e-02 2.63170000e-02 1.59980000e-02 7.06740000e-03] total = [ 1.12090000e+06 4.98380000e+05 3.33020000e+05 4.99950000e+05 9.07840000e+05 1.02240000e+06 1.19410000e+06 8.71870000e+05 9.91630000e+05 7.49970000e+05 7.82070000e+05 6.52570000e+05 6.68080000e+05 5.77800000e+05 2.89440000e+05 1.66650000e+05 1.05240000e+05 5.03870000e+04 2.82150000e+04 2.68230000e+04 6.86170000e+04 5.01580000e+04 6.79410000e+04 6.23300000e+04 7.05740000e+04 4.15030000e+04 1.94220000e+04 6.54550000e+03 2.98590000e+03 1.61470000e+03 9.74190000e+02 6.43410000e+02 3.21250000e+03 2.27220000e+03 1.26830000e+03 4.25920000e+02 1.95280000e+02 6.61230000e+01 3.15340000e+01 1.81960000e+01 1.18340000e+01 6.23490000e+00 3.91750000e+00 1.80260000e+00] JM2 = 1.04280171207 JM3 = 1.13735992751 K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.58330000e+03 1.83520000e+03 1.03410000e+03 3.50590000e+02 1.61370000e+02 5.48380000e+01 2.62070000e+01 1.51470000e+01 9.86500000e+00 5.20910000e+00 3.27840000e+00 1.51210000e+00] JM1 = 1.02376756517 M = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.72600000e+05 5.99180000e+05 7.18990000e+05 9.24550000e+05 6.67900000e+05 7.91250000e+05 5.95260000e+05 6.30130000e+05 5.25260000e+05 5.43080000e+05 4.69620000e+05 2.34390000e+05 1.34490000e+05 8.46670000e+04 4.03430000e+04 2.25090000e+04 2.13920000e+04 2.09470000e+04 1.53470000e+04 1.50260000e+04 1.36980000e+04 1.34110000e+04 7.67450000e+03 3.53900000e+03 1.17330000e+03 5.31530000e+02 2.86380000e+02 1.72370000e+02 1.13670000e+02 1.11160000e+02 7.71130000e+01 4.12480000e+01 1.32480000e+01 5.95930000e+00 1.98120000e+00 9.34540000e-01 5.34500000e-01 3.44960000e-01 1.79490000e-01 1.11730000e-01 5.07090000e-02] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.23480000e+04 3.08770000e+04 4.90600000e+04 4.51100000e+04 5.37120000e+04 3.18250000e+04 1.49430000e+04 5.05380000e+03 2.30820000e+03 1.24890000e+03 7.53710000e+02 4.97870000e+02 4.86920000e+02 3.38200000e+02 1.81190000e+02 5.83020000e+01 2.62450000e+01 8.73270000e+00 4.12240000e+00 2.35970000e+00 1.52410000e+00 7.94240000e-01 4.94960000e-01 2.25070000e-01] JM4 = 1.12618963694 JM5 = 1.50126118551 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.88240000e+04 1.75110000e+04 1.71000000e+04 1.00180000e+04 4.54840000e+03 1.44400000e+03 6.20920000e+02 3.18830000e+02 1.83740000e+02 1.16700000e+02 1.13900000e+02 7.63790000e+01 3.85190000e+01 1.11320000e+01 4.66800000e+00 1.41980000e+00 6.33380000e-01 3.48270000e-01 2.18200000e-01 1.09060000e-01 6.61470000e-02 2.91670000e-02] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.23480000e+04 3.08770000e+04 3.02370000e+04 2.75990000e+04 2.70270000e+04 1.50900000e+04 6.49460000e+03 1.90150000e+03 7.73920000e+02 3.80190000e+02 2.11200000e+02 1.30090000e+02 1.26750000e+02 8.26950000e+01 3.97520000e+01 1.05080000e+01 4.13930000e+00 1.16130000e+00 4.94130000e-01 2.63940000e-01 1.62360000e-01 7.94800000e-02 4.76890000e-02 2.07120000e-02] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 9.58480000e+03 6.71690000e+03 3.89980000e+03 1.70820000e+03 9.13380000e+02 5.49910000e+02 3.58770000e+02 2.51080000e+02 2.46280000e+02 1.79130000e+02 1.02920000e+02 3.66610000e+01 1.74380000e+01 6.15160000e+00 2.99490000e+00 1.74750000e+00 1.14350000e+00 6.05700000e-01 3.81120000e-01 1.75190000e-01] all other = [ 1.12090000e+06 4.98380000e+05 3.33020000e+05 3.27350000e+05 3.08660000e+05 3.03370000e+05 2.69510000e+05 2.03970000e+05 2.00380000e+05 1.54720000e+05 1.51940000e+05 1.27310000e+05 1.25000000e+05 1.08180000e+05 5.50470000e+04 3.21580000e+04 2.05720000e+04 1.00440000e+04 5.70630000e+03 5.43150000e+03 5.32200000e+03 3.93430000e+03 3.85440000e+03 3.52270000e+03 3.45090000e+03 2.00390000e+03 9.40500000e+02 3.18480000e+02 1.46120000e+02 7.94350000e+01 4.81130000e+01 3.18750000e+01 3.11800000e+01 2.17110000e+01 1.16800000e+01 3.78380000e+00 1.70990000e+00 5.71370000e-01 2.70240000e-01 1.54810000e-01 1.00010000e-01 5.21070000e-02 3.24570000e-02 1.47410000e-02] [W.binding] K = 69.7152 L1 = 12.081 M5 = 1.816 M4 = 1.881 M1 = 2.7979 L3 = 10.2055 M3 = 2.2712 M2 = 2.5684 L2 = 11.5736 [Zn] JL1 = 1.11568601083 JL3 = 3.65468533232 JL2 = 1.27524595576 energy = [ 1.00000000e+00 1.02500000e+00 1.03320000e+00 1.04950000e+00 1.05790000e+00 1.18330000e+00 1.19280000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 9.61290000e+00 9.68990000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 3.21730000e+04 3.05370000e+04 3.00230000e+04 2.90330000e+04 2.85400000e+04 2.23370000e+04 2.19430000e+04 1.29260000e+04 6.35960000e+03 2.17280000e+03 9.67050000e+02 5.02980000e+02 2.90090000e+02 1.18330000e+02 6.56350000e+01 6.39590000e+01 5.77320000e+01 1.50090000e+01 5.60180000e+00 1.34810000e+00 4.81210000e-01 2.15190000e-01 1.11090000e-01 3.90950000e-02 1.74470000e-02 4.10840000e-03 1.51310000e-03 3.92920000e-04 1.59620000e-04 8.24580000e-05 4.94600000e-05 2.33110000e-05 1.36610000e-05 5.72930000e-06] M = [ 1.66320000e+05 1.56910000e+05 1.53980000e+05 1.48360000e+05 1.45580000e+05 1.11380000e+05 1.09260000e+05 6.24490000e+04 3.03730000e+04 1.06750000e+04 4.99220000e+03 2.74260000e+03 1.67130000e+03 7.57170000e+02 4.54020000e+02 4.44000000e+02 4.06510000e+02 1.29250000e+02 5.66590000e+01 1.74200000e+01 7.45370000e+00 3.83320000e+00 2.21770000e+00 9.28370000e-01 4.70990000e-01 1.36990000e-01 5.74090000e-02 1.73560000e-02 7.71910000e-03 4.25390000e-03 2.68300000e-03 1.36770000e-03 8.49880000e-04 3.94660000e-04] L = [ 0.00000000e+00 0.00000000e+00 4.23940000e+05 6.07290000e+05 8.18530000e+05 7.05320000e+05 8.02090000e+05 4.60100000e+05 2.26480000e+05 7.89110000e+04 3.64780000e+04 1.98450000e+04 1.19980000e+04 5.37510000e+03 3.20330000e+03 3.13180000e+03 2.86470000e+03 9.00610000e+02 3.92060000e+02 1.19550000e+02 5.09140000e+01 2.61020000e+01 1.50660000e+01 6.29400000e+00 3.18700000e+00 9.24360000e-01 3.86790000e-01 1.16750000e-01 5.18870000e-02 2.85880000e-02 1.80280000e-02 9.18940000e-03 5.70960000e-03 2.65160000e-03] M5 = [ 2.53320000e+04 2.33490000e+04 2.27390000e+04 2.15830000e+04 2.10160000e+04 1.44130000e+04 1.40280000e+04 6.34480000e+03 2.25910000e+03 4.94150000e+02 1.60780000e+02 6.55790000e+01 3.09920000e+01 9.17770000e+00 4.17590000e+00 4.03470000e+00 3.52130000e+00 5.99140000e-01 1.66720000e-01 2.66490000e-02 7.17210000e-03 2.59080000e-03 1.12910000e-03 3.07100000e-04 1.13140000e-04 1.93030000e-05 5.79760000e-06 1.18770000e-06 4.24940000e-07 2.05050000e-07 1.17850000e-07 5.36780000e-08 3.12840000e-08 1.34450000e-08] M4 = [ 1.73410000e+04 1.59870000e+04 1.55700000e+04 1.47800000e+04 1.43940000e+04 9.88130000e+03 9.61780000e+03 4.35940000e+03 1.55670000e+03 3.42040000e+02 1.11680000e+02 4.56910000e+01 2.16580000e+01 6.48050000e+00 2.96040000e+00 2.86080000e+00 2.49870000e+00 4.29610000e-01 1.20600000e-01 1.95760000e-02 5.33720000e-03 1.94880000e-03 8.57830000e-04 2.36950000e-04 8.84290000e-05 1.53500000e-05 4.63580000e-06 9.32000000e-07 3.22250000e-07 1.47760000e-07 8.10750000e-08 3.36110000e-08 1.79690000e-08 6.50990000e-09] L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.04450000e+05 2.39930000e+05 2.34960000e+05 1.30630000e+05 6.11660000e+04 1.93850000e+04 8.22180000e+03 4.13800000e+03 2.33010000e+03 9.20390000e+02 5.01900000e+02 4.88750000e+02 4.40000000e+02 1.11040000e+02 4.07490000e+01 9.62850000e+00 3.40490000e+00 1.51140000e+00 7.76800000e-01 2.71800000e-01 1.20840000e-01 2.83060000e-02 1.03950000e-02 2.68950000e-03 1.09440000e-03 5.65160000e-04 3.38630000e-04 1.59810000e-04 9.36760000e-05 3.93250000e-05] L3 = [ 0.00000000e+00 0.00000000e+00 4.23940000e+05 6.07290000e+05 6.14070000e+05 4.65390000e+05 4.55740000e+05 2.52010000e+05 1.16910000e+05 3.65940000e+04 1.53910000e+04 7.69380000e+03 4.30730000e+03 1.68490000e+03 9.12670000e+02 8.88490000e+02 7.98890000e+02 1.98270000e+02 7.17730000e+01 1.65780000e+01 5.75200000e+00 2.51120000e+00 1.27160000e+00 4.33580000e-01 1.88600000e-01 4.23740000e-02 1.51320000e-02 3.80820000e-03 1.53370000e-03 7.98680000e-04 4.86380000e-04 2.37860000e-04 1.44280000e-04 6.53220000e-05] M3 = [ 6.25730000e+04 5.93450000e+04 5.83310000e+04 5.63810000e+04 5.54110000e+04 4.32210000e+04 4.24480000e+04 2.48400000e+04 1.21220000e+04 4.09410000e+03 1.80680000e+03 9.33310000e+02 5.35140000e+02 2.16150000e+02 1.19080000e+02 1.16000000e+02 1.04580000e+02 2.67260000e+01 9.83800000e+00 2.31450000e+00 8.10990000e-01 3.55680000e-01 1.80890000e-01 6.20310000e-02 2.70770000e-02 6.11410000e-03 2.18900000e-03 5.52060000e-04 2.23010000e-04 1.16230000e-04 7.07560000e-05 3.46490000e-05 2.10490000e-05 9.51470000e-06] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.11380000e+05 7.74580000e+04 4.84110000e+04 2.29320000e+04 1.28650000e+04 8.01290000e+03 5.36070000e+03 2.76990000e+03 1.78870000e+03 1.75460000e+03 1.62580000e+03 5.91310000e+02 2.79540000e+02 9.33440000e+01 4.17570000e+01 2.20790000e+01 1.30180000e+01 5.58860000e+00 2.87760000e+00 8.53680000e-01 3.61260000e-01 1.10250000e-01 4.92590000e-02 2.72250000e-02 1.72030000e-02 8.79170000e-03 5.47170000e-03 2.54690000e-03] JK = 7.38978897209 M1 = [ 2.89020000e+04 2.76980000e+04 2.73180000e+04 2.65840000e+04 2.62170000e+04 2.15300000e+04 2.12260000e+04 1.39790000e+04 8.07540000e+03 3.57170000e+03 1.94590000e+03 1.19500000e+03 7.93440000e+02 4.07040000e+02 2.62170000e+02 2.57150000e+02 2.38180000e+02 8.64890000e+01 4.09320000e+01 1.37110000e+01 6.14900000e+00 3.25780000e+00 1.92380000e+00 8.26700000e-01 4.26260000e-01 1.26730000e-01 5.36960000e-02 1.64090000e-02 7.33570000e-03 4.05480000e-03 2.56260000e-03 1.30970000e-03 8.15120000e-04 3.79400000e-04] all other = [ 1.74420000e+03 1.66850000e+03 1.64470000e+03 1.59870000e+03 1.57580000e+03 1.28470000e+03 1.26600000e+03 8.26710000e+02 4.72990000e+02 2.07600000e+02 1.13520000e+02 6.95940000e+01 4.61640000e+01 2.36590000e+01 1.52330000e+01 1.49410000e+01 1.38390000e+01 5.02350000e+00 2.37740000e+00 7.96420000e-01 3.57200000e-01 1.89240000e-01 1.11740000e-01 4.80790000e-02 2.47940000e-02 7.37290000e-03 3.12430000e-03 9.54900000e-04 4.26990000e-04 2.36080000e-04 1.49260000e-04 7.63880000e-05 4.76370000e-05 2.23520000e-05] total = [ 1.68070000e+05 1.58580000e+05 5.79560000e+05 7.57250000e+05 9.65680000e+05 8.17990000e+05 9.12620000e+05 5.23380000e+05 2.57330000e+05 8.97930000e+04 4.15840000e+04 2.26570000e+04 1.37160000e+04 6.15600000e+03 3.67250000e+03 2.71390000e+04 2.51360000e+04 8.70190000e+03 3.95680000e+03 1.25830000e+03 5.46070000e+02 2.82900000e+02 1.64330000e+02 6.91260000e+01 3.51240000e+01 1.02240000e+01 4.28290000e+00 1.29370000e+00 5.75250000e-01 3.17100000e-01 2.00110000e-01 1.02170000e-01 6.35790000e-02 2.96130000e-02] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.35480000e+04 2.18510000e+04 7.66700000e+03 3.50570000e+03 1.12060000e+03 4.87350000e+02 2.52780000e+02 1.46930000e+02 6.18550000e+01 3.14410000e+01 9.15480000e+00 3.83560000e+00 1.15870000e+00 5.15220000e-01 2.84020000e-01 1.79250000e-01 9.15350000e-02 5.69720000e-02 2.65450000e-02] [Zn.binding] K = 9.6225 L1 = 1.1845 M5 = 0.0164 M4 = 0.0168 M1 = 0.1375 L3 = 1.026 M3 = 0.0906 M2 = 0.0938 L2 = 1.0505 [elementslist] elements = H, He, Li, Be, B, C, N, O, F, Ne, Na, Mg, Al, Si, P, S, Cl, Ar, K, Ca, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ga, Ge, As, Se, Br, Kr, Rb, Sr, Y, Zr, Nb, Mo, Tc, Ru, Rh, Pd, Ag, Cd, In, Sn, Sb, Te, I, Xe, Cs, Ba, La, Ce, Pr, Nd, Pm, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Hf, Ta, W, Re, Os, Ir, Pt, Au, Hg, Tl, Pb, Bi, Po, At, Rn, Fr, Ra, Ac, Th, Pa, U, Np, Pu, Am, Cm, Bk, Cf, Es, Fm, Md [Eu] JL1 = 1.13162272521 JL3 = 2.71319280976 JL2 = 1.34125264721 energy = [ 1.00000000e+00 1.13650000e+00 1.14560000e+00 1.16600000e+00 1.17540000e+00 1.46810000e+00 1.47990000e+00 1.50000000e+00 1.60270000e+00 1.61550000e+00 1.77560000e+00 1.78990000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 6.96160000e+00 7.01730000e+00 7.61750000e+00 7.67850000e+00 8.00000000e+00 8.01140000e+00 8.07560000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 4.85280000e+01 4.89160000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 5.46574375555 M5 = [ 0.00000000e+00 0.00000000e+00 4.77380000e+05 1.03860000e+06 1.07000000e+06 6.08550000e+05 5.96430000e+05 5.76430000e+05 4.86740000e+05 4.76830000e+05 3.75670000e+05 3.68010000e+05 2.73590000e+05 8.48110000e+04 3.48110000e+04 1.69290000e+04 9.21690000e+03 5.54600000e+03 5.39510000e+03 4.05570000e+03 3.94420000e+03 3.41550000e+03 3.39840000e+03 3.30420000e+03 1.54010000e+03 3.43160000e+02 1.13620000e+02 2.28050000e+01 7.10760000e+00 3.21950000e+00 3.11560000e+00 2.84700000e+00 1.34230000e+00 4.09170000e-01 1.63410000e-01 3.17080000e-02 1.02900000e-02 2.28680000e-03 8.51090000e-04 4.17120000e-04 2.41500000e-04 1.09060000e-04 6.38490000e-05 2.57940000e-05] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.01200000e+05 4.20760000e+05 4.12520000e+05 3.98910000e+05 3.37820000e+05 3.31060000e+05 2.61600000e+05 2.56270000e+05 1.91850000e+05 6.03280000e+04 2.50460000e+04 1.22850000e+04 6.73770000e+03 4.07920000e+03 3.96970000e+03 2.99440000e+03 2.91300000e+03 2.52730000e+03 2.51480000e+03 2.44610000e+03 1.15150000e+03 2.61970000e+02 8.82170000e+01 1.81930000e+01 5.79590000e+00 2.66750000e+00 2.58320000e+00 2.36490000e+00 1.13290000e+00 3.54510000e-01 1.44500000e-01 2.89910000e-02 9.56400000e-03 2.13200000e-03 7.78400000e-04 3.72940000e-04 2.10330000e-04 9.02460000e-05 4.92560000e-05 1.90780000e-05] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.52220000e+04 3.97350000e+04 2.18940000e+04 1.36760000e+04 9.26800000e+03 6.65600000e+03 5.04430000e+03 4.96850000e+03 4.24940000e+03 4.18510000e+03 3.86790000e+03 3.85730000e+03 3.79830000e+03 2.49500000e+03 1.08510000e+03 5.84670000e+02 2.34900000e+02 1.19540000e+02 7.49490000e+01 7.35030000e+01 6.96650000e+01 4.43690000e+01 2.14070000e+01 1.20090000e+01 4.11320000e+00 1.90750000e+00 6.51290000e-01 3.10630000e-01 1.78790000e-01 1.15870000e-01 6.07350000e-02 3.80590000e-02 1.75070000e-02] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.96730000e+05 1.88880000e+05 1.76040000e+05 1.74350000e+05 1.52050000e+05 1.50150000e+05 1.25600000e+05 6.21350000e+04 3.49040000e+04 2.15090000e+04 1.41750000e+04 9.95630000e+03 9.76580000e+03 7.99380000e+03 7.83830000e+03 7.08030000e+03 7.05510000e+03 6.91610000e+03 4.01140000e+03 1.34540000e+03 5.93080000e+02 1.76740000e+02 7.23010000e+01 3.91160000e+01 3.81280000e+01 3.55390000e+01 1.97110000e+01 7.67610000e+00 3.66740000e+00 9.56390000e-01 3.72910000e-01 1.03290000e-01 4.36770000e-02 2.32440000e-02 1.42980000e-02 7.00990000e-03 4.22390000e-03 1.85660000e-03] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 7.39570000e+04 6.65870000e+04 6.60030000e+04 5.70540000e+04 3.09360000e+04 1.82630000e+04 1.16550000e+04 7.88990000e+03 5.65650000e+03 5.55460000e+03 4.59520000e+03 4.51040000e+03 4.09670000e+03 4.08300000e+03 4.00700000e+03 2.39110000e+03 8.45290000e+02 3.87160000e+02 1.22060000e+02 5.21040000e+01 2.90480000e+01 2.83510000e+01 2.65180000e+01 1.51510000e+01 6.19800000e+00 3.08220000e+00 8.66500000e-01 3.56120000e-01 1.05390000e-01 4.61840000e-02 2.50950000e-02 1.56040000e-02 7.70120000e-03 4.63950000e-03 2.02170000e-03] total = [ 5.56640000e+05 4.38230000e+05 9.08980000e+05 1.45590000e+06 1.78210000e+06 1.29340000e+06 1.46550000e+06 1.41690000e+06 1.22090000e+06 1.27280000e+06 1.03330000e+06 1.06010000e+06 8.25040000e+05 3.15040000e+05 1.54530000e+05 8.78320000e+04 5.49860000e+04 3.73840000e+04 1.01430000e+05 8.21620000e+04 1.10200000e+05 9.95660000e+04 9.91850000e+04 1.12240000e+05 6.54460000e+04 2.23360000e+04 1.02720000e+04 3.36970000e+03 1.51160000e+03 8.78380000e+02 4.80100000e+03 4.52960000e+03 2.80380000e+03 1.29670000e+03 7.04480000e+02 2.28460000e+02 1.02480000e+02 3.37210000e+01 1.57920000e+01 9.00120000e+00 5.80510000e+00 3.02990000e+00 1.89730000e+00 8.74250000e-01] JM2 = 1.04250962405 JM3 = 1.13306015154 K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.94220000e+03 3.72220000e+03 2.32140000e+03 1.08360000e+03 5.91650000e+02 1.92950000e+02 8.67390000e+01 2.85990000e+01 1.34080000e+01 7.64970000e+00 4.93760000e+00 2.58080000e+00 1.61790000e+00 7.46830000e-01] JM1 = 1.02593632053 M = [ 0.00000000e+00 0.00000000e+00 4.77380000e+05 1.03860000e+06 1.37120000e+06 1.02930000e+06 1.20570000e+06 1.16420000e+06 1.00060000e+06 1.05620000e+06 8.55910000e+05 8.85650000e+05 6.87830000e+05 2.60110000e+05 1.26700000e+05 7.16460000e+04 4.46760000e+04 3.02820000e+04 2.96540000e+04 2.38880000e+04 2.33910000e+04 2.09880000e+04 2.09090000e+04 2.04720000e+04 1.15890000e+04 3.88090000e+03 1.76670000e+03 5.74710000e+02 2.56840000e+02 1.49000000e+02 1.45680000e+02 1.36930000e+02 8.17050000e+01 3.60450000e+01 1.90670000e+01 5.99670000e+00 2.65640000e+00 8.64390000e-01 4.02120000e-01 2.27920000e-01 1.46230000e-01 7.56460000e-02 4.70350000e-02 2.14300000e-02] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 6.48200000e+04 5.26200000e+04 8.12710000e+04 7.35880000e+04 7.33050000e+04 8.69000000e+04 5.10460000e+04 1.74850000e+04 8.05560000e+03 2.64570000e+03 1.18720000e+03 6.89920000e+02 6.74580000e+02 6.34180000e+02 3.78900000e+02 1.67400000e+02 8.86150000e+01 2.78880000e+01 1.23550000e+01 4.02040000e+00 1.87070000e+00 1.06080000e+00 6.80920000e-01 3.52540000e-01 2.19390000e-01 1.00060000e-01] JM4 = 1.22405384985 JM5 = 2.07420760788 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.97580000e+04 2.72580000e+04 2.71430000e+04 2.65250000e+04 1.53370000e+04 4.94510000e+03 2.14390000e+03 6.33820000e+02 2.60560000e+02 1.42150000e+02 1.38620000e+02 1.29360000e+02 7.26080000e+01 2.90080000e+01 1.42080000e+01 3.90840000e+00 1.58790000e+00 4.64420000e-01 2.02350000e-01 1.09600000e-01 6.79140000e-02 3.34110000e-02 2.00950000e-02 8.73930000e-03] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 6.48200000e+04 5.26200000e+04 5.15130000e+04 4.63310000e+04 4.61610000e+04 4.52250000e+04 2.51200000e+04 7.65450000e+03 3.19500000e+03 8.93170000e+02 3.52140000e+02 1.86490000e+02 1.81640000e+02 1.68930000e+02 9.20890000e+01 3.50470000e+01 1.65010000e+01 4.21440000e+00 1.62530000e+00 4.45160000e-01 1.87210000e-01 9.95120000e-02 6.10940000e-02 2.99160000e-02 1.80320000e-02 7.88710000e-03] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.51490000e+04 1.05890000e+04 4.88570000e+03 2.71670000e+03 1.11870000e+03 5.74480000e+02 3.61270000e+02 3.54320000e+02 3.35890000e+02 2.14210000e+02 1.03340000e+02 5.79060000e+01 1.97650000e+01 9.14160000e+00 3.11080000e+00 1.48110000e+00 8.51680000e-01 5.51910000e-01 2.89210000e-01 1.81260000e-01 8.34380000e-02] all other = [ 5.56640000e+05 4.38230000e+05 4.31610000e+05 4.17220000e+05 4.10860000e+05 2.64050000e+05 2.59780000e+05 2.52680000e+05 2.20260000e+05 2.16620000e+05 1.77420000e+05 1.74420000e+05 1.37210000e+05 5.49390000e+04 2.78270000e+04 1.61860000e+04 1.03100000e+04 7.10140000e+03 6.95990000e+03 5.65350000e+03 5.54000000e+03 4.99040000e+03 4.97220000e+03 4.87210000e+03 2.81120000e+03 9.70130000e+02 4.49500000e+02 1.49360000e+02 6.75580000e+01 3.94660000e+01 3.85970000e+01 3.63060000e+01 2.17890000e+01 9.68800000e+00 5.15160000e+00 1.63280000e+00 7.25940000e-01 2.37260000e-01 1.10620000e-01 6.27900000e-02 4.03230000e-02 2.08800000e-02 1.29910000e-02 5.92280000e-03] [Eu.binding] K = 48.5761 L1 = 8.0195 M5 = 1.1376 M4 = 1.1672 M1 = 1.7774 L3 = 6.9686 M3 = 1.4696 M2 = 1.6043 L2 = 7.6251 [Zr] JL1 = 1.11924686192 JL3 = 3.73038516405 JL2 = 1.36719092675 energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 2.22250000e+00 2.24030000e+00 2.31000000e+00 2.32850000e+00 2.51230000e+00 2.53240000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 1.79440000e+01 1.80880000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 7.35970000e+04 3.53540000e+04 1.95130000e+04 1.54780000e+04 1.52050000e+04 1.41930000e+04 1.39390000e+04 1.17210000e+04 1.15070000e+04 7.71440000e+03 3.76970000e+03 2.09860000e+03 1.27680000e+03 5.65240000e+02 2.93200000e+02 8.45870000e+01 4.79110000e+01 4.67020000e+01 3.37890000e+01 8.89120000e+00 3.36770000e+00 1.57000000e+00 8.37690000e-01 3.09440000e-01 1.42930000e-01 3.55760000e-02 1.35850000e-02 3.67330000e-03 1.52710000e-03 8.01140000e-04 4.85330000e-04 2.32250000e-04 1.36940000e-04 5.81760000e-05] M = [ 5.91300000e+05 2.25630000e+05 1.10860000e+05 8.50300000e+04 8.33340000e+04 7.71120000e+04 7.55690000e+04 6.22990000e+04 6.10440000e+04 3.95010000e+04 1.86350000e+04 1.03020000e+04 6.31060000e+03 2.88540000e+03 1.56140000e+03 5.04020000e+02 3.04000000e+02 2.97220000e+02 2.23490000e+02 7.00370000e+01 3.04550000e+01 1.58790000e+01 9.29580000e+00 3.97250000e+00 2.04740000e+00 6.12710000e-01 2.61700000e-01 8.11090000e-02 3.66040000e-02 2.03530000e-02 1.29050000e-02 6.60710000e-03 4.10480000e-03 1.89360000e-03] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.58330000e+05 2.33890000e+05 3.52780000e+05 2.94210000e+05 3.38900000e+05 2.23700000e+05 1.07280000e+05 5.98220000e+04 3.67900000e+04 1.68470000e+04 9.11080000e+03 2.93190000e+03 1.76570000e+03 1.72610000e+03 1.29690000e+03 4.05210000e+02 1.75840000e+02 9.15370000e+01 5.35230000e+01 2.28320000e+01 1.17530000e+01 3.51050000e+00 1.49830000e+00 4.63770000e-01 2.09160000e-01 1.16270000e-01 7.37170000e-02 3.77440000e-02 2.34520000e-02 1.08250000e-02] M5 = [ 1.87770000e+05 5.52510000e+04 2.18100000e+04 1.53330000e+04 1.49270000e+04 1.34570000e+04 1.30980000e+04 1.01060000e+04 9.83290000e+03 5.44920000e+03 1.93290000e+03 8.41000000e+02 4.18950000e+02 1.35610000e+02 5.52360000e+01 1.02820000e+01 4.80440000e+00 4.64350000e+00 3.01840000e+00 5.20220000e-01 1.47390000e-01 5.51560000e-02 2.46910000e-02 6.97400000e-03 2.62630000e-03 4.67560000e-04 1.44190000e-04 3.03300000e-05 1.10300000e-05 5.39860000e-06 3.08730000e-06 1.41020000e-06 8.11190000e-07 3.40970000e-07] M4 = [ 1.28690000e+05 3.80910000e+04 1.51020000e+04 1.06350000e+04 1.03540000e+04 9.33920000e+03 9.09120000e+03 7.02370000e+03 6.83470000e+03 3.79870000e+03 1.35480000e+03 5.92160000e+02 2.96190000e+02 9.65480000e+01 3.95690000e+01 7.46360000e+00 3.51140000e+00 3.39490000e+00 2.21590000e+00 3.89040000e-01 1.11890000e-01 4.24170000e-02 1.92010000e-02 5.52260000e-03 2.12470000e-03 3.87950000e-04 1.20740000e-04 2.52330000e-05 8.85560000e-06 4.11940000e-06 2.28540000e-06 9.55320000e-07 5.18650000e-07 1.97350000e-07] L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.22940000e+05 1.01360000e+05 9.95310000e+04 6.41550000e+04 2.93330000e+04 1.56090000e+04 9.17530000e+03 3.86470000e+03 1.93810000e+03 5.31320000e+02 2.95440000e+02 2.87770000e+02 2.06260000e+02 5.26090000e+01 1.95840000e+01 9.02810000e+00 4.77940000e+00 1.74780000e+00 8.02350000e-01 1.98070000e-01 7.51230000e-02 2.02060000e-02 8.37510000e-03 4.38670000e-03 2.65460000e-03 1.27190000e-03 7.50060000e-04 3.18760000e-04] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.58330000e+05 2.33890000e+05 2.29840000e+05 1.92850000e+05 1.88990000e+05 1.19710000e+05 5.38770000e+04 2.83360000e+04 1.65040000e+04 6.84580000e+03 3.39160000e+03 9.07710000e+02 4.98890000e+02 4.85670000e+02 3.45780000e+02 8.55790000e+01 3.10930000e+01 1.40380000e+01 7.29640000e+00 2.58550000e+00 1.15610000e+00 2.71390000e-01 9.94320000e-02 2.57240000e-02 1.05190000e-02 5.51450000e-03 3.36650000e-03 1.64350000e-03 9.96450000e-04 4.46790000e-04] M3 = [ 1.47210000e+05 6.87780000e+04 3.73300000e+04 2.94420000e+04 2.89090000e+04 2.69410000e+04 2.64490000e+04 2.21540000e+04 2.17400000e+04 1.44470000e+04 6.95790000e+03 3.82980000e+03 2.30840000e+03 1.00630000e+03 5.15540000e+02 1.45140000e+02 8.12510000e+01 7.91590000e+01 5.68770000e+01 1.45160000e+01 5.36440000e+00 2.44890000e+00 1.28270000e+00 4.59160000e-01 2.06610000e-01 4.88660000e-02 1.79870000e-02 4.67410000e-03 1.91470000e-03 1.00480000e-03 6.13990000e-04 3.00520000e-04 1.82410000e-04 8.16950000e-05] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.03740000e+04 3.98340000e+04 2.40650000e+04 1.58770000e+04 1.11100000e+04 6.13700000e+03 3.78110000e+03 1.49290000e+03 9.71350000e+02 9.52700000e+02 7.44830000e+02 2.67020000e+02 1.25160000e+02 6.84710000e+01 4.14470000e+01 1.84990000e+01 9.79470000e+00 3.04110000e+00 1.32380000e+00 4.17840000e-01 1.90270000e-01 1.06370000e-01 6.76950000e-02 3.48290000e-02 2.17060000e-02 1.00590000e-02] JK = 6.60981716823 M1 = [ 5.40340000e+04 2.81610000e+04 1.71010000e+04 1.41420000e+04 1.39390000e+04 1.31830000e+04 1.29920000e+04 1.12950000e+04 1.11290000e+04 8.09150000e+03 4.61940000e+03 2.94020000e+03 2.01030000e+03 1.08170000e+03 6.57830000e+02 2.56540000e+02 1.66530000e+02 1.63320000e+02 1.27590000e+02 4.57210000e+01 2.14630000e+01 1.17620000e+01 7.13150000e+00 3.19140000e+00 1.69310000e+00 5.27410000e-01 2.29860000e-01 7.27060000e-02 3.31420000e-02 1.85370000e-02 1.18010000e-02 6.07200000e-03 3.78410000e-03 1.75320000e-03] all other = [ 4.54180000e+04 2.05250000e+04 1.12080000e+04 8.90320000e+03 8.74810000e+03 8.17460000e+03 8.03120000e+03 6.77740000e+03 6.65680000e+03 4.52360000e+03 2.29630000e+03 1.33350000e+03 8.46360000e+02 4.05910000e+02 2.26650000e+02 7.66900000e+01 4.70340000e+01 4.60170000e+01 3.49190000e+01 1.12820000e+01 4.98920000e+00 2.62990000e+00 1.55150000e+00 6.69800000e-01 3.47430000e-01 1.04910000e-01 4.50380000e-02 1.40240000e-02 6.34370000e-03 3.53210000e-03 2.24170000e-03 1.14920000e-03 7.14690000e-04 3.30500000e-04] total = [ 6.36720000e+05 2.46160000e+05 1.22060000e+05 9.39340000e+04 3.50410000e+05 3.19180000e+05 4.36380000e+05 3.63280000e+05 4.06600000e+05 2.67730000e+05 1.28210000e+05 7.14570000e+04 4.39470000e+04 2.01390000e+04 1.08990000e+04 3.51260000e+03 2.11670000e+03 1.39910000e+04 1.08090000e+04 3.66930000e+03 1.65570000e+03 8.81210000e+02 5.22410000e+02 2.26430000e+02 1.17520000e+02 3.54190000e+01 1.51670000e+01 4.70690000e+00 2.12630000e+00 1.18380000e+00 7.51720000e-01 3.86100000e-01 2.40570000e-01 1.11590000e-01] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.19210000e+04 9.25370000e+03 3.18280000e+03 1.44450000e+03 7.71160000e+02 4.58040000e+02 1.98960000e+02 1.03370000e+02 3.11910000e+01 1.33620000e+01 4.14800000e+00 1.87420000e+00 1.04360000e+00 6.62860000e-01 3.40600000e-01 2.12300000e-01 9.85370000e-02] [Zr.binding] K = 17.962 L1 = 2.5148 M5 = 0.1904 M4 = 0.1931 M1 = 0.4221 L3 = 2.2247 M3 = 0.3309 M2 = 0.345 L2 = 2.3123 [Er] JL1 = 1.13207948279 JL3 = 2.63825923607 JL2 = 1.34648042471 energy = [ 1.00000000e+00 1.41050000e+00 1.42170000e+00 1.45360000e+00 1.46520000e+00 1.50000000e+00 1.79440000e+00 1.80880000e+00 1.99020000e+00 2.00000000e+00 2.00610000e+00 2.18760000e+00 2.20510000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 8.33880000e+00 8.40550000e+00 9.26600000e+00 9.34020000e+00 9.70870000e+00 9.78650000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 5.75310000e+01 5.79910000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 5.24967989757 M5 = [ 0.00000000e+00 0.00000000e+00 3.50060000e+05 8.38160000e+05 8.44080000e+05 8.06590000e+05 5.03920000e+05 4.93600000e+05 3.84510000e+05 3.79570000e+05 3.76520000e+05 3.01410000e+05 2.95120000e+05 1.24620000e+05 5.24410000e+04 2.59700000e+04 1.43520000e+04 5.44110000e+03 4.71620000e+03 4.58790000e+03 3.26570000e+03 3.17550000e+03 2.77120000e+03 2.69430000e+03 2.49630000e+03 5.73100000e+02 1.93880000e+02 4.00590000e+01 1.27220000e+01 5.16690000e+00 2.92200000e+00 2.82870000e+00 2.46240000e+00 7.62430000e-01 3.07770000e-01 6.06990000e-02 1.98850000e-02 4.46550000e-03 1.66990000e-03 8.13480000e-04 4.73920000e-04 2.17390000e-04 1.24870000e-04 5.20600000e-05] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.15870000e+05 5.34860000e+05 3.51710000e+05 3.44610000e+05 2.69470000e+05 2.66060000e+05 2.63940000e+05 2.11920000e+05 2.07490000e+05 8.89080000e+04 3.79110000e+04 1.89590000e+04 1.05630000e+04 4.05990000e+03 3.52630000e+03 3.43170000e+03 2.45510000e+03 2.38830000e+03 2.08830000e+03 2.03120000e+03 1.88410000e+03 4.42610000e+02 1.52510000e+02 3.24470000e+01 1.05490000e+01 4.36960000e+00 2.50330000e+00 2.42520000e+00 2.11800000e+00 6.74240000e-01 2.78140000e-01 5.68670000e-02 1.89780000e-02 4.29010000e-03 1.57940000e-03 7.58720000e-04 4.30850000e-04 1.84540000e-04 1.02010000e-04 3.88700000e-05] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.65870000e+04 2.39960000e+04 1.55650000e+04 1.07370000e+04 7.80230000e+03 4.61130000e+03 4.26460000e+03 4.20050000e+03 3.48660000e+03 3.43360000e+03 3.18700000e+03 3.13830000e+03 3.00950000e+03 1.33460000e+03 7.28820000e+02 2.98620000e+02 1.54140000e+02 9.08310000e+01 6.46910000e+01 6.34440000e+01 5.83780000e+01 2.85680000e+01 1.62000000e+01 5.65430000e+00 2.65550000e+00 9.21600000e-01 4.43990000e-01 2.57200000e-01 1.67490000e-01 8.81680000e-02 5.53400000e-02 2.54360000e-02] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.70160000e+05 1.45880000e+05 1.44910000e+05 1.44290000e+05 1.26230000e+05 1.24590000e+05 7.45170000e+04 4.31050000e+04 2.71170000e+04 1.81550000e+04 9.29200000e+03 8.40390000e+03 8.24220000e+03 6.48790000e+03 6.36080000e+03 5.77500000e+03 5.66050000e+03 5.36090000e+03 1.85460000e+03 8.35030000e+02 2.56110000e+02 1.06800000e+02 5.32420000e+01 3.41390000e+01 3.32830000e+01 2.98570000e+01 1.18200000e+01 5.71430000e+00 1.51880000e+00 5.99040000e-01 1.68060000e-01 7.15070000e-02 3.82200000e-02 2.35060000e-02 1.15220000e-02 6.94290000e-03 3.02740000e-03] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 6.12490000e+04 6.06460000e+04 5.42830000e+04 5.38130000e+04 3.51520000e+04 2.18260000e+04 1.43820000e+04 9.96750000e+03 5.35120000e+03 4.87420000e+03 4.78700000e+03 3.82660000e+03 3.75610000e+03 3.43070000e+03 3.36700000e+03 3.20010000e+03 1.17870000e+03 5.54730000e+02 1.81430000e+02 7.93660000e+01 4.11320000e+01 2.70470000e+01 2.64070000e+01 2.38360000e+01 9.96120000e+00 5.03090000e+00 1.45110000e+00 6.06100000e-01 1.82940000e-01 8.11140000e-02 4.43890000e-02 2.77280000e-02 1.37980000e-02 8.34360000e-03 3.66190000e-03] total = [ 7.60230000e+05 3.87500000e+05 7.31300000e+05 1.20250000e+06 1.41840000e+06 1.68290000e+06 1.08990000e+06 1.23860000e+06 9.87120000e+05 1.03700000e+06 1.02940000e+06 8.45960000e+05 8.67070000e+05 4.21540000e+05 2.08600000e+05 1.19170000e+05 7.48950000e+04 3.55930000e+04 3.19400000e+04 8.42660000e+04 6.53630000e+04 8.80100000e+04 7.99670000e+04 9.05290000e+04 8.57990000e+04 2.99950000e+04 1.39310000e+04 4.62300000e+03 2.08910000e+03 1.12200000e+03 7.57570000e+02 3.97700000e+03 3.65100000e+03 1.70580000e+03 9.34850000e+02 3.07960000e+02 1.39500000e+02 4.64980000e+01 2.19530000e+01 1.25810000e+01 8.14440000e+00 4.26820000e+00 2.67660000e+00 1.23240000e+00] JM2 = 1.05053083718 JM3 = 1.13643453528 K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.23620000e+03 2.97770000e+03 1.40630000e+03 7.75440000e+02 2.57280000e+02 1.16880000e+02 3.90610000e+01 1.84690000e+01 1.05970000e+01 6.86760000e+00 3.60540000e+00 2.26400000e+00 1.04460000e+00] JM1 = 1.02495389853 M = [ 0.00000000e+00 0.00000000e+00 3.50060000e+05 8.38160000e+05 1.05990000e+06 1.34150000e+06 8.55630000e+05 1.00840000e+06 7.99860000e+05 8.51780000e+05 8.45400000e+05 6.93840000e+05 7.17610000e+05 3.47190000e+05 1.70850000e+05 9.71650000e+04 6.08400000e+04 2.87550000e+04 2.57850000e+04 2.52490000e+04 1.95220000e+04 1.91140000e+04 1.72520000e+04 1.68910000e+04 1.59510000e+04 5.38360000e+03 2.46500000e+03 8.08660000e+02 3.63580000e+02 1.94740000e+02 1.31300000e+02 1.28390000e+02 1.16650000e+02 5.17860000e+01 2.75310000e+01 8.74180000e+00 3.89950000e+00 1.28140000e+00 5.99860000e-01 3.41380000e-01 2.19620000e-01 1.13890000e-01 7.08540000e-02 3.22160000e-02] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.29860000e+04 4.11360000e+04 6.42850000e+04 5.85400000e+04 6.95470000e+04 6.59780000e+04 2.32650000e+04 1.08380000e+04 3.60370000e+03 1.62960000e+03 8.75460000e+02 5.91160000e+02 5.78070000e+02 5.25380000e+02 2.33730000e+02 1.24410000e+02 3.95500000e+01 1.76490000e+01 5.80190000e+00 2.71740000e+00 1.54730000e+00 9.96140000e-01 5.17170000e-01 3.22040000e-01 1.46660000e-01] JM4 = 1.17954261954 JM5 = 1.88722580645 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.40030000e+04 2.20980000e+04 2.15900000e+04 2.03440000e+04 6.94910000e+03 3.08430000e+03 9.41130000e+02 3.94850000e+02 1.99060000e+02 1.28870000e+02 1.25710000e+02 1.13080000e+02 4.59980000e+01 2.28310000e+01 6.42300000e+00 2.64730000e+00 7.88160000e-01 3.47100000e-01 1.89220000e-01 1.17930000e-01 5.84130000e-02 3.52800000e-02 1.54330000e-02] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.29860000e+04 4.11360000e+04 4.02830000e+04 3.64420000e+04 3.56960000e+04 3.37380000e+04 1.05840000e+04 4.49930000e+03 1.28530000e+03 5.14370000e+02 2.49520000e+02 1.57580000e+02 1.53500000e+02 1.37230000e+02 5.29250000e+01 2.51600000e+01 6.52990000e+00 2.54320000e+00 7.04400000e-01 2.97860000e-01 1.58640000e-01 9.75520000e-02 4.77510000e-02 2.87320000e-02 1.25510000e-02] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.22610000e+04 1.18970000e+04 5.73200000e+03 3.25430000e+03 1.37730000e+03 7.20420000e+02 4.26880000e+02 3.04710000e+02 2.98860000e+02 2.75070000e+02 1.34810000e+02 7.64150000e+01 2.65970000e+01 1.24590000e+01 4.30940000e+00 2.07240000e+00 1.19940000e+00 7.80660000e-01 4.11000000e-01 2.58020000e-01 1.18670000e-01] all other = [ 7.60230000e+05 3.87500000e+05 3.81240000e+05 3.64340000e+05 3.58420000e+05 3.41490000e+05 2.34230000e+05 2.30270000e+05 1.87260000e+05 1.85270000e+05 1.84030000e+05 1.52130000e+05 1.49460000e+05 7.43470000e+04 3.77570000e+04 2.20090000e+04 1.40550000e+04 6.83720000e+03 6.15480000e+03 6.03150000e+03 4.70500000e+03 4.61000000e+03 4.17490000e+03 4.09030000e+03 3.86970000e+03 1.34700000e+03 6.28150000e+02 2.10660000e+02 9.59290000e+01 5.18220000e+01 3.51080000e+01 3.43380000e+01 3.12340000e+01 1.39830000e+01 7.47560000e+00 2.39290000e+00 1.07220000e+00 3.54030000e-01 1.66150000e-01 9.46970000e-02 6.09890000e-02 3.16640000e-02 1.97120000e-02 8.96910000e-03] [Er.binding] K = 57.5881 L1 = 9.7184 M5 = 1.4119 M4 = 1.455 M1 = 2.1898 L3 = 8.3471 M3 = 1.7962 M2 = 1.9922 L2 = 9.2752 [Ni] JL1 = 1.11640535858 energy = [ 1.00000000e+00 1.00550000e+00 1.01360000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 8.29460000e+00 8.36100000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 2.61950000e+04 2.58760000e+04 2.54200000e+04 1.00970000e+04 4.84980000e+03 1.60900000e+03 7.02250000e+02 3.59770000e+02 2.04980000e+02 8.20960000e+01 7.30140000e+01 7.11460000e+01 3.95350000e+01 1.00580000e+01 3.69920000e+00 8.72960000e-01 3.08130000e-01 1.36390000e-01 6.99170000e-02 2.43540000e-02 1.07880000e-02 2.51140000e-03 9.18730000e-04 2.36630000e-04 9.56780000e-05 4.93190000e-05 2.95100000e-05 1.38780000e-05 8.10530000e-06 3.39490000e-06] M = [ 1.24020000e+05 1.22430000e+05 1.20160000e+05 4.67550000e+04 2.27840000e+04 8.01940000e+03 3.74940000e+03 2.05760000e+03 1.25220000e+03 5.65890000e+02 5.11690000e+02 5.00440000e+02 3.03210000e+02 9.60340000e+01 4.19480000e+01 1.28190000e+01 5.45930000e+00 2.79720000e+00 1.61150000e+00 6.71710000e-01 3.39450000e-01 9.80620000e-02 4.09160000e-02 1.23030000e-02 5.45450000e-03 3.00020000e-03 1.89020000e-03 9.62720000e-04 5.98200000e-04 2.78180000e-04] L = [ 8.34310000e+05 8.22510000e+05 9.35010000e+05 3.64700000e+05 1.76040000e+05 6.05610000e+04 2.78150000e+04 1.50720000e+04 9.08770000e+03 4.05670000e+03 3.66320000e+03 3.58170000e+03 2.15660000e+03 6.74790000e+02 2.92600000e+02 8.86840000e+01 3.75950000e+01 1.92020000e+01 1.10490000e+01 4.59260000e+00 2.31660000e+00 6.67490000e-01 2.78110000e-01 8.34970000e-02 3.70030000e-02 2.03470000e-02 1.28170000e-02 6.52730000e-03 4.05570000e-03 1.88580000e-03] M5 = [ 1.28700000e+04 1.26310000e+04 1.22930000e+04 3.12260000e+03 1.09030000e+03 2.32360000e+02 7.40780000e+01 2.97110000e+01 1.38580000e+01 4.03530000e+00 3.45260000e+00 3.33570000e+00 1.53430000e+00 2.57190000e-01 7.05270000e-02 1.10670000e-02 2.95170000e-03 1.05850000e-03 4.58870000e-04 1.23660000e-04 4.52720000e-05 7.64140000e-06 2.28510000e-06 4.64730000e-07 1.65990000e-07 8.01010000e-08 4.61020000e-08 2.10080000e-08 1.22040000e-08 5.22590000e-09] M4 = [ 8.78490000e+03 8.62220000e+03 8.39230000e+03 2.13870000e+03 7.48660000e+02 1.60180000e+02 5.12380000e+01 2.06110000e+01 9.63880000e+00 2.83580000e+00 2.42800000e+00 2.34620000e+00 1.08330000e+00 1.83340000e-01 5.07020000e-02 8.07430000e-03 2.17990000e-03 7.90340000e-04 3.45650000e-04 9.45970000e-05 3.50480000e-05 6.02090000e-06 1.80590000e-06 3.61070000e-07 1.24110000e-07 5.69210000e-08 3.11440000e-08 1.28170000e-08 6.85680000e-09 2.50290000e-09] L2 = [ 2.82880000e+05 2.78890000e+05 2.73230000e+05 1.00830000e+05 4.58450000e+04 1.41550000e+04 5.90900000e+03 2.93870000e+03 1.63940000e+03 6.38620000e+02 5.66250000e+02 5.51390000e+02 3.02160000e+02 7.48620000e+01 2.71230000e+01 6.30130000e+00 2.20360000e+00 9.70090000e-01 4.95360000e-01 1.71670000e-01 7.58030000e-02 1.75640000e-02 6.40760000e-03 1.64480000e-03 6.66750000e-04 3.43600000e-04 2.05670000e-04 9.65360000e-05 5.65510000e-05 2.36570000e-05] L3 = [ 5.51430000e+05 5.43620000e+05 5.32560000e+05 1.94520000e+05 8.77470000e+04 2.68170000e+04 1.11110000e+04 5.49250000e+03 3.04800000e+03 1.17690000e+03 1.04230000e+03 1.01470000e+03 5.52670000e+02 1.34820000e+02 4.82240000e+01 1.09660000e+01 3.76620000e+00 1.63190000e+00 8.21530000e-01 2.77730000e-01 1.20090000e-01 2.67330000e-02 9.49740000e-03 2.37730000e-03 9.55350000e-04 4.96350000e-04 3.01780000e-04 1.47970000e-04 8.98030000e-05 4.07920000e-05] M3 = [ 5.09540000e+04 5.03250000e+04 4.94290000e+04 1.94420000e+04 9.27270000e+03 3.04540000e+03 1.31920000e+03 6.71710000e+02 3.80690000e+02 1.51100000e+02 1.34220000e+02 1.30750000e+02 7.22060000e+01 1.80810000e+01 6.56470000e+00 1.51660000e+00 5.24490000e-01 2.28520000e-01 1.15470000e-01 3.92290000e-02 1.70160000e-02 3.80360000e-03 1.35410000e-03 3.39540000e-04 1.36870000e-04 7.11770000e-05 4.33040000e-05 2.11970000e-05 1.29030000e-05 5.84210000e-06] L1 = [ 0.00000000e+00 0.00000000e+00 1.29220000e+05 6.93550000e+04 4.24460000e+04 1.95880000e+04 1.07950000e+04 6.64080000e+03 4.40030000e+03 2.24120000e+03 2.05470000e+03 2.01560000e+03 1.30180000e+03 4.65100000e+02 2.17260000e+02 7.14170000e+01 3.16260000e+01 1.66000000e+01 9.73170000e+00 4.14320000e+00 2.12080000e+00 6.23200000e-01 2.62200000e-01 7.94740000e-02 3.53810000e-02 1.95070000e-02 1.23100000e-02 6.28280000e-03 3.90940000e-03 1.82140000e-03] JK = 7.55019793008 M1 = [ 2.52190000e+04 2.49730000e+04 2.46220000e+04 1.19540000e+04 6.82250000e+03 2.97240000e+03 1.60270000e+03 9.75790000e+02 6.43040000e+02 3.25820000e+02 2.98570000e+02 2.92860000e+02 1.88850000e+02 6.74540000e+01 3.15630000e+01 1.04110000e+01 4.62160000e+00 2.43040000e+00 1.42530000e+00 6.07910000e-01 3.11560000e-01 9.17330000e-02 3.86390000e-02 1.17260000e-02 5.22170000e-03 2.87960000e-03 1.81730000e-03 9.27610000e-04 5.77180000e-04 2.68930000e-04] all other = [ 1.60570000e+03 1.58950000e+03 1.56640000e+03 7.49140000e+02 4.24480000e+02 1.83670000e+02 9.93830000e+01 6.04280000e+01 3.97920000e+01 2.01480000e+01 1.84620000e+01 1.81090000e+01 1.16750000e+01 4.16910000e+00 1.95090000e+00 6.43530000e-01 2.85690000e-01 1.50230000e-01 8.82000000e-02 3.76270000e-02 1.92870000e-02 5.67950000e-03 2.39250000e-03 7.26140000e-04 3.23440000e-04 1.78440000e-04 1.12660000e-04 5.75860000e-05 3.59110000e-05 1.68820000e-05] total = [ 9.59940000e+05 9.46520000e+05 1.05670000e+06 4.12210000e+05 1.99250000e+05 6.87640000e+04 3.16640000e+04 1.71900000e+04 1.03800000e+04 4.64280000e+03 4.19340000e+03 3.16610000e+04 2.02260000e+04 6.80720000e+03 3.06850000e+03 9.63210000e+02 4.14820000e+02 2.13660000e+02 1.23570000e+02 5.16510000e+01 2.61270000e+01 7.54850000e+00 3.14760000e+00 9.45490000e-01 4.19050000e-01 2.30530000e-01 1.45310000e-01 7.40990000e-02 4.61020000e-02 2.14940000e-02] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.75600000e+04 1.77550000e+04 6.03220000e+03 2.73200000e+03 8.61060000e+02 3.71480000e+02 1.91510000e+02 1.10820000e+02 4.63490000e+01 2.34510000e+01 6.77730000e+00 2.82620000e+00 8.48960000e-01 3.76270000e-01 2.07010000e-01 1.30490000e-01 6.65510000e-02 4.14130000e-02 1.93130000e-02] [Ni.binding] K = 8.3029 L1 = 1.0065 M5 = 0.0147 M4 = 0.0149 M1 = 0.1187 L3 = 0.867 M3 = 0.0782 M2 = 0.0805 L2 = 0.885 [Na] energy = [ 1.00000000e+00 1.06290000e+00 1.07140000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 11.6311083779 M = [ 2.23060000e+02 1.93650000e+02 1.90090000e+02 8.55520000e+01 4.16390000e+01 1.44640000e+01 6.64020000e+00 3.57050000e+00 2.12930000e+00 9.25800000e-01 4.78560000e-01 1.40410000e-01 5.77670000e-02 1.61670000e-02 6.46490000e-03 3.15630000e-03 1.75160000e-03 6.89170000e-04 3.33910000e-04 8.99720000e-05 3.59350000e-05 1.02590000e-05 4.42010000e-06 2.39220000e-06 1.49360000e-06 7.57510000e-07 4.73260000e-07 2.27310000e-07] L = [ 2.46770000e+04 2.09450000e+04 2.05000000e+04 8.20160000e+03 3.69690000e+03 1.17740000e+03 5.14910000e+02 2.68620000e+02 1.56850000e+02 6.63390000e+01 3.37100000e+01 9.66350000e+00 3.92880000e+00 1.08630000e+00 4.31810000e-01 2.10050000e-01 1.16290000e-01 4.56210000e-02 2.20650000e-02 5.93230000e-03 2.36730000e-03 6.75150000e-04 2.90660000e-04 1.57150000e-04 9.80310000e-05 4.95430000e-05 3.07940000e-05 1.44910000e-05] L2 = [ 3.35610000e+03 2.74710000e+03 2.67580000e+03 8.65110000e+02 3.20090000e+02 7.54920000e+01 2.62970000e+01 1.14110000e+01 5.70700000e+00 1.87680000e+00 7.81470000e-01 1.55910000e-01 4.93470000e-02 9.64110000e-03 3.01770000e-03 1.22750000e-03 5.90150000e-04 1.87540000e-04 7.79640000e-05 1.64060000e-05 5.64990000e-06 1.35490000e-06 5.26280000e-07 2.64040000e-07 1.54790000e-07 7.10050000e-08 4.09320000e-08 1.67340000e-08] L3 = [ 6.62000000e+03 5.41700000e+03 5.27630000e+03 1.70280000e+03 6.29000000e+02 1.47960000e+02 5.14270000e+01 2.22670000e+01 1.11140000e+01 3.64210000e+00 1.51220000e+00 2.99540000e-01 9.38260000e-02 1.81010000e-02 5.60270000e-03 2.25470000e-03 1.07400000e-03 3.35540000e-04 1.37450000e-04 2.81770000e-05 9.54210000e-06 2.27030000e-06 8.90810000e-07 4.57590000e-07 2.77370000e-07 1.35710000e-07 8.25910000e-08 3.81660000e-08] L1 = [ 1.47010000e+04 1.27810000e+04 1.25480000e+04 5.63360000e+03 2.74780000e+03 9.53940000e+02 4.37180000e+02 2.34940000e+02 1.40030000e+02 6.08200000e+01 3.14170000e+01 9.20810000e+00 3.78560000e+00 1.05850000e+00 4.23190000e-01 2.06570000e-01 1.14630000e-01 4.50980000e-02 2.18500000e-02 5.88780000e-03 2.35210000e-03 6.71520000e-04 2.89240000e-04 1.56430000e-04 9.75990000e-05 4.93360000e-05 3.06710000e-05 1.44360000e-05] M1 = [ 2.23060000e+02 1.93650000e+02 1.90090000e+02 8.55520000e+01 4.16390000e+01 1.44640000e+01 6.64020000e+00 3.57050000e+00 2.12930000e+00 9.25800000e-01 4.78560000e-01 1.40410000e-01 5.77670000e-02 1.61670000e-02 6.46490000e-03 3.15630000e-03 1.75160000e-03 6.89170000e-04 3.33910000e-04 8.99720000e-05 3.59350000e-05 1.02590000e-05 4.42010000e-06 2.39220000e-06 1.49360000e-06 7.57510000e-07 4.73260000e-07 2.27310000e-07] all other = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0.] total = [ 2.49000000e+04 2.11390000e+04 2.45870000e+05 1.21850000e+05 5.79850000e+04 1.93020000e+04 8.58550000e+03 4.51610000e+03 2.64930000e+03 1.12590000e+03 5.73550000e+02 1.64820000e+02 6.70430000e+01 1.85280000e+01 7.35830000e+00 3.57710000e+00 1.97930000e+00 7.75900000e-01 3.75070000e-01 1.00740000e-01 4.01790000e-02 1.14490000e-02 4.93340000e-03 2.66740000e-03 1.66400000e-03 8.41090000e-04 5.22820000e-04 2.45970000e-04] K = [ 0.00000000e+00 0.00000000e+00 2.25180000e+05 1.13560000e+05 5.42470000e+04 1.81100000e+04 8.06400000e+03 4.24390000e+03 2.49030000e+03 1.05870000e+03 5.39360000e+02 1.55010000e+02 6.30560000e+01 1.74260000e+01 6.92000000e+00 3.36390000e+00 1.86130000e+00 7.29590000e-01 3.52670000e-01 9.47220000e-02 3.77750000e-02 1.07630000e-02 4.63830000e-03 2.50790000e-03 1.56440000e-03 7.90790000e-04 4.91550000e-04 2.31250000e-04] [Na.binding] M1 = 0.0051 K = 1.064 L2 = 0.0364 L3 = 0.0362 L1 = 0.0645 [Nb] JL1 = 1.12113811569 JL3 = 3.65888757502 JL2 = 1.36583154218 energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 2.36670000e+00 2.38560000e+00 2.46430000e+00 2.48400000e+00 2.67380000e+00 2.69520000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 1.89290000e+01 1.90810000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 7.78000000e+04 3.79970000e+04 2.11930000e+04 1.46750000e+04 1.44150000e+04 1.34000000e+04 1.31610000e+04 1.11190000e+04 1.09160000e+04 8.48980000e+03 4.18590000e+03 2.34590000e+03 1.43460000e+03 6.39880000e+02 3.33770000e+02 9.72340000e+01 4.66370000e+01 4.54620000e+01 3.90960000e+01 1.03750000e+01 3.95130000e+00 1.84960000e+00 9.90000000e-01 3.67440000e-01 1.70290000e-01 4.26220000e-02 1.63290000e-02 4.43300000e-03 1.84660000e-03 9.70220000e-04 5.88730000e-04 2.81930000e-04 1.66420000e-04 7.07490000e-05] M = [ 6.54890000e+05 2.50760000e+05 1.23390000e+05 8.07740000e+04 7.91570000e+04 7.28970000e+04 7.14330000e+04 5.92000000e+04 5.80040000e+04 4.40410000e+04 2.08050000e+04 1.15140000e+04 7.05850000e+03 3.23060000e+03 1.74940000e+03 5.65570000e+02 2.93450000e+02 2.86900000e+02 2.51070000e+02 7.88080000e+01 3.43130000e+01 1.79100000e+01 1.04960000e+01 4.49280000e+00 2.31870000e+00 6.95730000e-01 2.97660000e-01 9.24680000e-02 4.17890000e-02 2.32570000e-02 1.47540000e-02 7.55680000e-03 4.69500000e-03 2.16460000e-03] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.40130000e+05 2.16770000e+05 3.27310000e+05 2.73940000e+05 3.16430000e+05 2.44030000e+05 1.17280000e+05 6.55760000e+04 4.03910000e+04 1.85460000e+04 1.00440000e+04 3.23960000e+03 1.67840000e+03 1.64080000e+03 1.43530000e+03 4.49400000e+02 1.95320000e+02 1.01810000e+02 5.95970000e+01 2.54690000e+01 1.31290000e+01 3.93190000e+00 1.68120000e+00 5.21610000e-01 2.35590000e-01 1.31070000e-01 8.31480000e-02 4.25920000e-02 2.64660000e-02 1.22080000e-02] M5 = [ 2.15940000e+05 6.44430000e+04 2.56640000e+04 1.46560000e+04 1.42670000e+04 1.27820000e+04 1.24410000e+04 9.67300000e+03 9.41130000e+03 6.48900000e+03 2.32140000e+03 1.01630000e+03 5.08570000e+02 1.65730000e+02 6.78630000e+01 1.27540000e+01 4.76460000e+00 4.60520000e+00 3.76640000e+00 6.53370000e-01 1.85880000e-01 6.97930000e-02 3.13280000e-02 8.88280000e-03 3.35590000e-03 6.00520000e-04 1.85560000e-04 3.92950000e-05 1.43210000e-05 6.89700000e-06 3.95650000e-06 1.84040000e-06 1.03410000e-06 4.32170000e-07] M4 = [ 1.48040000e+05 4.44520000e+04 1.77840000e+04 1.01840000e+04 9.91520000e+03 8.88840000e+03 8.65200000e+03 6.73580000e+03 6.55450000e+03 4.52800000e+03 1.62890000e+03 7.16470000e+02 3.60050000e+02 1.18180000e+02 4.86990000e+01 9.27660000e+00 3.49750000e+00 3.38160000e+00 2.77120000e+00 4.89920000e-01 1.41540000e-01 5.38450000e-02 2.44480000e-02 7.06100000e-03 2.72280000e-03 4.98960000e-04 1.55730000e-04 3.25880000e-05 1.14630000e-05 5.37330000e-06 2.98690000e-06 1.24210000e-06 6.88750000e-07 2.75090000e-07] L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.14430000e+05 9.45340000e+04 9.28380000e+04 7.07580000e+04 3.25170000e+04 1.73750000e+04 1.02440000e+04 4.34530000e+03 2.18890000e+03 6.04580000e+02 2.82920000e+02 2.75580000e+02 2.35930000e+02 6.05910000e+01 2.26630000e+01 1.04840000e+01 5.56590000e+00 2.04400000e+00 9.41120000e-01 2.33490000e-01 8.88360000e-02 2.39850000e-02 9.96430000e-03 5.22690000e-03 3.16650000e-03 1.51860000e-03 8.95960000e-04 3.81630000e-04] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.40130000e+05 2.16770000e+05 2.12890000e+05 1.79410000e+05 1.75820000e+05 1.31970000e+05 5.96620000e+04 3.15030000e+04 1.83950000e+04 7.67370000e+03 3.81590000e+03 1.02810000e+03 4.73690000e+02 4.61140000e+02 3.93470000e+02 9.79800000e+01 3.57460000e+01 1.61890000e+01 8.43470000e+00 2.99950000e+00 1.34460000e+00 3.16940000e-01 1.16410000e-01 3.01980000e-02 1.23650000e-02 6.48590000e-03 3.96050000e-03 1.93370000e-03 1.17300000e-03 5.24440000e-04] M3 = [ 1.56460000e+05 7.41140000e+04 4.06070000e+04 2.78480000e+04 2.73430000e+04 2.53690000e+04 2.49040000e+04 2.09590000e+04 2.05670000e+04 1.59010000e+04 7.72120000e+03 4.27590000e+03 2.58940000e+03 1.13660000e+03 5.85240000e+02 1.66240000e+02 7.84780000e+01 7.64590000e+01 6.55310000e+01 1.68520000e+01 6.25820000e+00 2.86710000e+00 1.50590000e+00 5.41250000e-01 2.44240000e-01 5.81230000e-02 2.14140000e-02 5.58110000e-03 2.29040000e-03 1.20320000e-03 7.34960000e-04 3.59840000e-04 2.18460000e-04 9.78550000e-05] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.77750000e+04 4.13070000e+04 2.51060000e+04 1.66980000e+04 1.17520000e+04 6.52670000e+03 4.03920000e+03 1.60700000e+03 9.21750000e+02 9.04050000e+02 8.05930000e+02 2.90830000e+02 1.36920000e+02 7.51390000e+01 4.55960000e+01 2.04260000e+01 1.08430000e+01 3.38150000e+00 1.47600000e+00 4.67430000e-01 2.13260000e-01 1.19360000e-01 7.60210000e-02 3.91400000e-02 2.43970000e-02 1.13020000e-02] JK = 6.54900599871 M1 = [ 5.66470000e+04 2.97530000e+04 1.81440000e+04 1.34100000e+04 1.32170000e+04 1.24560000e+04 1.22760000e+04 1.07140000e+04 1.05560000e+04 8.63330000e+03 4.94760000e+03 3.15920000e+03 2.16580000e+03 1.17010000e+03 7.13870000e+02 2.80060000e+02 1.60080000e+02 1.56990000e+02 1.39900000e+02 5.04390000e+01 2.37760000e+01 1.30700000e+01 7.94390000e+00 3.56810000e+00 1.89810000e+00 5.93890000e-01 2.59570000e-01 8.23820000e-02 3.76260000e-02 2.10710000e-02 1.34230000e-02 6.91190000e-03 4.30840000e-03 1.99530000e-03] all other = [ 5.36680000e+04 2.38220000e+04 1.28890000e+04 8.86880000e+03 8.71080000e+03 8.09350000e+03 7.94860000e+03 6.71980000e+03 6.59790000e+03 5.14960000e+03 2.60050000e+03 1.50560000e+03 9.53620000e+02 4.56020000e+02 2.54080000e+02 8.56860000e+01 4.53110000e+01 4.43260000e+01 3.89410000e+01 1.25550000e+01 5.54740000e+00 2.92290000e+00 1.72420000e+00 7.44530000e-01 3.86360000e-01 1.16820000e-01 5.02040000e-02 1.56580000e-02 7.09050000e-03 3.95060000e-03 2.50820000e-03 1.28610000e-03 7.99570000e-04 3.69220000e-04] total = [ 7.08560000e+05 2.74580000e+05 1.36280000e+05 8.96420000e+04 3.27990000e+05 2.97760000e+05 4.06690000e+05 3.39860000e+05 3.81030000e+05 2.93220000e+05 1.40690000e+05 7.85960000e+04 4.84030000e+04 2.22320000e+04 1.20470000e+04 3.89090000e+03 2.01710000e+03 1.32100000e+04 1.17340000e+04 4.01160000e+03 1.81480000e+03 9.68370000e+02 5.75280000e+02 2.50010000e+02 1.30030000e+02 3.93190000e+01 1.68720000e+01 5.24970000e+00 2.37520000e+00 1.32370000e+00 8.41100000e-01 4.32280000e-01 2.69390000e-01 1.24900000e-01] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.12380000e+04 1.00090000e+04 3.47080000e+03 1.57960000e+03 8.45720000e+02 5.03460000e+02 2.19310000e+02 1.14190000e+02 3.45740000e+01 1.48430000e+01 4.62000000e+00 2.09070000e+00 1.16540000e+00 7.40690000e-01 3.80840000e-01 2.37430000e-01 1.10160000e-01] [Nb.binding] K = 18.9482 L1 = 2.6765 M5 = 0.2118 M4 = 0.2148 M1 = 0.4561 L3 = 2.369 M3 = 0.3593 M2 = 0.3753 L2 = 2.4668 [Nd] JL1 = 1.13114609904 JL3 = 2.76542254883 JL2 = 1.33833573631 energy = [ 1.00000000e+00 1.00630000e+00 1.01430000e+00 1.28580000e+00 1.29610000e+00 1.39170000e+00 1.40290000e+00 1.50000000e+00 1.55070000e+00 1.56310000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 6.19430000e+00 6.24390000e+00 6.72100000e+00 6.77480000e+00 7.08720000e+00 7.14390000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 4.35590000e+01 4.39080000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 5.59854596671 M5 = [ 1.12200000e+06 1.21610000e+06 1.25780000e+06 6.88900000e+05 6.75490000e+05 5.65560000e+05 5.54270000e+05 4.70330000e+05 4.32180000e+05 4.23500000e+05 2.16770000e+05 6.55110000e+04 2.65070000e+04 1.27410000e+04 6.86990000e+03 6.15570000e+03 5.98850000e+03 4.63880000e+03 4.51150000e+03 3.85270000e+03 3.74620000e+03 2.50910000e+03 1.11940000e+03 2.44570000e+02 7.98580000e+01 1.57420000e+01 4.84890000e+00 3.41010000e+00 3.29940000e+00 1.92540000e+00 9.01710000e-01 2.72310000e-01 1.08060000e-01 2.07620000e-02 6.69750000e-03 1.47880000e-03 5.45170000e-04 2.67640000e-04 1.55900000e-04 7.05930000e-05 4.04610000e-05 1.68860000e-05] M4 = [ 0.00000000e+00 0.00000000e+00 3.93240000e+05 4.74080000e+05 4.65010000e+05 3.90550000e+05 3.82880000e+05 3.23520000e+05 2.99380000e+05 2.93390000e+05 1.51700000e+05 4.65290000e+04 1.90050000e+04 9.20970000e+03 5.00000000e+03 4.48620000e+03 4.36570000e+03 3.39070000e+03 3.29880000e+03 2.82250000e+03 2.74540000e+03 1.84720000e+03 8.32200000e+02 1.85430000e+02 6.15240000e+01 1.24470000e+01 3.91540000e+00 2.77190000e+00 2.68370000e+00 1.58260000e+00 7.52680000e-01 2.33100000e-01 9.43350000e-02 1.87100000e-02 6.12860000e-03 1.35430000e-03 4.95160000e-04 2.35150000e-04 1.31810000e-04 5.70390000e-05 3.09890000e-05 1.22000000e-05] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.15850000e+04 3.73540000e+04 2.01910000e+04 1.24310000e+04 8.35260000e+03 5.96320000e+03 5.61470000e+03 5.53060000e+03 4.80910000e+03 4.73650000e+03 4.34400000e+03 4.27760000e+03 3.43090000e+03 2.19880000e+03 9.45250000e+02 5.04980000e+02 2.00360000e+02 1.01050000e+02 8.21300000e+01 8.05440000e+01 5.84800000e+01 3.70340000e+01 1.77110000e+01 9.86950000e+00 3.34140000e+00 1.53770000e+00 5.19920000e-01 2.46510000e-01 1.41340000e-01 9.13620000e-02 4.77620000e-02 2.99020000e-02 1.37630000e-02] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.15650000e+05 1.97700000e+05 1.96020000e+05 1.79640000e+05 1.70970000e+05 1.68900000e+05 1.14680000e+05 5.48490000e+04 3.02030000e+04 1.83780000e+04 1.19950000e+04 1.11110000e+04 1.08990000e+04 9.11500000e+03 8.93840000e+03 7.99650000e+03 7.83960000e+03 5.89990000e+03 3.30520000e+03 1.08710000e+03 4.72830000e+02 1.38380000e+02 5.59350000e+01 4.25660000e+01 4.14880000e+01 2.72530000e+01 1.50120000e+01 5.78710000e+00 2.74490000e+00 7.07490000e-01 2.73920000e-01 7.52810000e-02 3.17270000e-02 1.68370000e-02 1.03470000e-02 5.08080000e-03 3.06210000e-03 1.35050000e-03] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 8.34000000e+04 7.79080000e+04 7.54970000e+04 7.48370000e+04 5.36030000e+04 2.78520000e+04 1.60280000e+04 1.00460000e+04 6.70680000e+03 6.23780000e+03 6.12500000e+03 5.16530000e+03 5.07000000e+03 4.56160000e+03 4.47670000e+03 3.41410000e+03 1.96400000e+03 6.77540000e+02 3.05180000e+02 9.40930000e+01 3.95710000e+01 3.04850000e+01 2.97470000e+01 1.99190000e+01 1.12830000e+01 4.55680000e+00 2.24500000e+00 6.21480000e-01 2.52950000e-01 7.39810000e-02 3.22080000e-02 1.74420000e-02 1.07950000e-02 5.30630000e-03 3.18810000e-03 1.38400000e-03] total = [ 1.58510000e+06 1.67390000e+06 2.10210000e+06 1.44940000e+06 1.63800000e+06 1.39810000e+06 1.45690000e+06 1.26090000e+06 1.17350000e+06 1.20450000e+06 6.87440000e+05 2.60090000e+05 1.26980000e+05 7.19590000e+04 4.49440000e+04 4.13680000e+04 1.14400000e+05 9.50210000e+04 1.27170000e+05 1.13690000e+05 1.28600000e+05 9.70940000e+04 5.42870000e+04 1.84540000e+04 8.43730000e+03 2.74930000e+03 1.22790000e+03 9.65590000e+02 5.40590000e+03 3.82670000e+03 2.37330000e+03 1.08680000e+03 5.86490000e+02 1.88320000e+02 8.39650000e+01 2.74200000e+01 1.27800000e+01 7.26110000e+00 4.67270000e+00 2.43340000e+00 1.52240000e+00 7.01970000e-01] JM2 = 1.04205707746 JM3 = 1.13012280944 K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.46180000e+03 3.17290000e+03 1.98370000e+03 9.15330000e+02 4.96030000e+02 1.60020000e+02 7.14800000e+01 2.33810000e+01 1.09080000e+01 6.20220000e+00 3.99420000e+00 2.08260000e+00 1.30430000e+00 6.02350000e-01] JM1 = 1.02641670217 M = [ 1.12200000e+06 1.21610000e+06 1.65100000e+06 1.16300000e+06 1.35620000e+06 1.15380000e+06 1.21660000e+06 1.05140000e+06 9.78020000e+05 1.01220000e+06 5.74110000e+05 2.14930000e+05 1.04170000e+05 5.87270000e+04 3.65350000e+04 3.36050000e+04 3.29090000e+04 2.71190000e+04 2.65550000e+04 2.35770000e+04 2.30850000e+04 1.71010000e+04 9.41960000e+03 3.13990000e+03 1.42440000e+03 4.61020000e+02 2.05320000e+02 1.61360000e+02 1.57760000e+02 1.09160000e+02 6.49840000e+01 2.85600000e+01 1.50620000e+01 4.70990000e+00 2.07740000e+00 6.72010000e-01 3.11490000e-01 1.76120000e-01 1.12790000e-01 5.82770000e-02 3.62240000e-02 1.65260000e-02] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 7.38860000e+04 6.15830000e+04 9.44250000e+04 8.45940000e+04 1.00110000e+05 7.59390000e+04 4.25910000e+04 1.45330000e+04 6.65230000e+03 2.16920000e+03 9.68860000e+02 7.61900000e+02 7.44940000e+02 5.15900000e+02 3.07400000e+02 1.35250000e+02 7.13600000e+01 2.23200000e+01 9.84400000e+00 3.18380000e+00 1.47580000e+00 8.34600000e-01 5.34850000e-01 2.76520000e-01 1.72000000e-01 7.85610000e-02] JM4 = 1.25580978553 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.41620000e+04 3.09860000e+04 3.02890000e+04 2.28000000e+04 1.24450000e+04 3.94600000e+03 1.68960000e+03 4.90470000e+02 1.99160000e+02 1.52040000e+02 1.48240000e+02 9.79850000e+01 5.46010000e+01 2.15770000e+01 1.04830000e+01 2.84500000e+00 1.14590000e+00 3.31570000e-01 1.43610000e-01 7.74160000e-02 4.78240000e-02 2.34510000e-02 1.40570000e-02 6.11340000e-03] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 7.38860000e+04 6.15830000e+04 6.02630000e+04 5.36080000e+04 5.25250000e+04 3.88630000e+04 2.05150000e+04 6.19210000e+03 2.55670000e+03 7.04570000e+02 2.75170000e+02 2.07500000e+02 2.02090000e+02 1.31080000e+02 7.10620000e+01 2.68220000e+01 1.25530000e+01 3.17410000e+00 1.21660000e+00 3.30940000e-01 1.38770000e-01 7.36090000e-02 4.51620000e-02 2.21300000e-02 1.33450000e-02 5.85820000e-03] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.72920000e+04 1.42760000e+04 9.63190000e+03 4.39510000e+03 2.40600000e+03 9.74120000e+02 4.94530000e+02 4.02360000e+02 3.94610000e+02 2.86840000e+02 1.81740000e+02 8.68460000e+01 4.83250000e+01 1.63010000e+01 7.48160000e+00 2.52130000e+00 1.19340000e+00 6.83580000e-01 4.41860000e-01 2.30940000e-01 1.44590000e-01 6.65890000e-02] all other = [ 4.63100000e+05 4.57810000e+05 4.51150000e+05 2.86390000e+05 2.81880000e+05 2.44280000e+05 2.40350000e+05 2.09500000e+05 1.95520000e+05 1.92290000e+05 1.13330000e+05 4.51590000e+04 2.28040000e+04 1.32320000e+04 8.40940000e+03 7.76290000e+03 7.60880000e+03 6.31910000e+03 6.19280000e+03 5.52360000e+03 5.41280000e+03 4.05380000e+03 2.27620000e+03 7.81280000e+02 3.60630000e+02 1.19150000e+02 5.36840000e+01 4.23200000e+01 4.13870000e+01 2.87620000e+01 1.72170000e+01 7.62470000e+00 4.04130000e+00 1.27230000e+00 5.63400000e-01 1.83000000e-01 8.50010000e-02 4.81200000e-02 3.08510000e-02 1.59550000e-02 9.92220000e-03 4.53050000e-03] [Nd.binding] K = 43.603 L1 = 7.0943 M5 = 0.9842 M4 = 1.0073 M1 = 1.5523 L3 = 6.2005 M3 = 1.2871 M2 = 1.3931 L2 = 6.7277 [Ne] energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0.] L = [ 1.60510000e+04 5.31370000e+03 2.39000000e+03 7.57250000e+02 3.29390000e+02 1.71030000e+02 9.94010000e+01 4.17350000e+01 2.10890000e+01 5.98980000e+00 2.42030000e+00 6.63440000e-01 2.62170000e-01 1.27010000e-01 7.00950000e-02 2.73750000e-02 1.31990000e-02 3.53120000e-03 1.40500000e-03 3.99330000e-04 1.71600000e-04 9.26900000e-05 5.77820000e-05 2.91890000e-05 1.81460000e-05 8.54810000e-06] L2 = [ 1.82140000e+03 4.58560000e+02 1.66790000e+02 3.84850000e+01 1.31550000e+01 5.63700000e+00 2.78330000e+00 9.00800000e-01 3.72310000e-01 7.34190000e-02 2.30090000e-02 4.44070000e-03 1.37850000e-03 5.57430000e-04 2.66960000e-04 8.43290000e-05 3.49140000e-05 7.30020000e-06 2.50430000e-06 5.97660000e-07 2.31330000e-07 1.15680000e-07 6.78240000e-08 3.09730000e-08 1.77780000e-08 7.26510000e-09] L3 = [ 3.59510000e+03 9.03480000e+02 3.28170000e+02 7.55540000e+01 2.57670000e+01 1.10200000e+01 5.43240000e+00 1.75340000e+00 7.20000000e-01 1.40940000e-01 4.38680000e-02 8.36540000e-03 2.56820000e-03 1.02850000e-03 4.87860000e-04 1.51660000e-04 6.18990000e-05 1.26190000e-05 4.26060000e-06 1.01070000e-06 3.96330000e-07 2.03650000e-07 1.23230000e-07 6.03860000e-08 3.70080000e-08 1.71680000e-08] L1 = [ 1.06340000e+04 3.95170000e+03 1.89510000e+03 6.43210000e+02 2.90470000e+02 1.54380000e+02 9.11850000e+01 3.90800000e+01 1.99970000e+01 5.77550000e+00 2.35350000e+00 6.50630000e-01 2.58220000e-01 1.25420000e-01 6.93400000e-02 2.71390000e-02 1.31030000e-02 3.51130000e-03 1.39820000e-03 3.97720000e-04 1.70980000e-04 9.23710000e-05 5.75910000e-05 2.90980000e-05 1.80910000e-05 8.52360000e-06] all other = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0.] total = [ 2.48200000e+05 8.92780000e+04 4.15840000e+04 1.35260000e+04 5.93950000e+03 3.09540000e+03 1.80310000e+03 7.58610000e+02 3.83690000e+02 1.09000000e+02 4.40060000e+01 1.20440000e+01 4.75360000e+00 2.30100000e+00 1.26910000e+00 4.95210000e-01 2.38630000e-01 6.37750000e-02 2.53570000e-02 7.20050000e-03 3.09850000e-03 1.67360000e-03 1.04340000e-03 5.27090000e-04 3.27670000e-04 1.54230000e-04] K = [ 2.32150000e+05 8.39640000e+04 3.91940000e+04 1.27690000e+04 5.61010000e+03 2.92440000e+03 1.70370000e+03 7.16870000e+02 3.62600000e+02 1.03010000e+02 4.15860000e+01 1.13800000e+01 4.49150000e+00 2.17390000e+00 1.19900000e+00 4.67840000e-01 2.25430000e-01 6.02440000e-02 2.39520000e-02 6.80120000e-03 2.92690000e-03 1.58090000e-03 9.85620000e-04 4.97910000e-04 3.09530000e-04 1.45680000e-04] [Ne.binding] K = 0.8582 L2 = 0.0201 L3 = 0.02 L1 = 0.0432 [Np] JL1 = 1.13288135593 JL3 = 2.32935703209 JL2 = 1.39294055436 energy = [ 1.00000000e+00 1.06970000e+00 1.07830000e+00 1.31890000e+00 1.32950000e+00 1.48010000e+00 1.49200000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 3.66370000e+00 3.69310000e+00 3.85500000e+00 3.88580000e+00 4.00000000e+00 4.41680000e+00 4.45220000e+00 5.00000000e+00 5.36160000e+00 5.40460000e+00 5.71520000e+00 5.76100000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 1.76070000e+01 1.77480000e+01 2.00000000e+01 2.16830000e+01 2.18570000e+01 2.24510000e+01 2.26310000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.19280000e+02 1.20230000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 4.11207519884 M5 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.70670000e+05 2.41970000e+05 2.37030000e+05 2.20960000e+05 1.71400000e+05 1.67690000e+05 1.20340000e+05 9.80140000e+04 9.54780000e+04 8.16610000e+04 7.98170000e+04 7.08410000e+04 2.95710000e+04 1.45990000e+04 3.81090000e+03 2.19710000e+03 2.13710000e+03 1.40700000e+03 1.05740000e+03 1.02780000e+03 9.34070000e+02 9.07870000e+02 3.27580000e+02 1.12850000e+02 4.86730000e+01 2.43110000e+01 8.06260000e+00 3.42190000e+00 1.74130000e+00 1.68900000e+00 7.28180000e-01 2.49530000e-01 5.86290000e-02 2.23530000e-02 1.10720000e-02 6.48850000e-03 2.94450000e-03 1.66640000e-03 6.89330000e-04] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.71510000e+05 1.60180000e+05 1.25530000e+05 1.23040000e+05 8.99800000e+04 7.37480000e+04 7.20750000e+04 6.12000000e+04 5.98880000e+04 5.35440000e+04 2.29220000e+04 1.15200000e+04 3.11360000e+03 1.82150000e+03 1.77320000e+03 1.18090000e+03 8.94760000e+02 8.70460000e+02 7.93220000e+02 7.71580000e+02 2.86730000e+02 1.02020000e+02 4.51840000e+01 2.30820000e+01 7.93940000e+00 3.46640000e+00 1.80290000e+00 1.75050000e+00 7.74380000e-01 2.73010000e-01 6.57220000e-02 2.50960000e-02 1.23180000e-02 7.14830000e-03 3.15060000e-03 1.75860000e-03 6.86940000e-04] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.16200000e+04 1.09940000e+04 7.31680000e+03 5.22720000e+03 2.62440000e+03 1.96130000e+03 1.93240000e+03 1.54610000e+03 1.32440000e+03 1.30420000e+03 1.23820000e+03 1.21930000e+03 6.97310000e+02 3.84090000e+02 2.37900000e+02 1.59230000e+02 8.30430000e+01 4.94650000e+01 3.26260000e+01 3.20130000e+01 1.88580000e+01 9.41740000e+00 3.55100000e+00 1.80500000e+00 1.08430000e+00 7.23760000e-01 3.92070000e-01 2.49020000e-01 1.14500000e-01] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 6.91220000e+04 5.73860000e+04 5.13300000e+04 5.06170000e+04 4.56430000e+04 4.49500000e+04 4.15350000e+04 2.36720000e+04 1.48290000e+04 5.88790000e+03 3.99110000e+03 3.91370000e+03 2.90430000e+03 2.36610000e+03 2.31830000e+03 2.16390000e+03 2.11980000e+03 1.00760000e+03 4.56530000e+02 2.42100000e+02 1.42540000e+02 6.06970000e+01 3.09410000e+01 1.80840000e+01 1.76480000e+01 8.96830000e+00 3.72890000e+00 1.10920000e+00 4.85320000e-01 2.62710000e-01 1.62690000e-01 7.95810000e-02 4.74730000e-02 2.01840000e-02] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.84660000e+04 1.74040000e+04 1.72530000e+04 1.66260000e+04 1.11670000e+04 7.78370000e+03 3.63450000e+03 2.60630000e+03 2.56280000e+03 1.98020000e+03 1.65690000e+03 1.62780000e+03 1.53300000e+03 1.50570000e+03 7.82940000e+02 3.88050000e+02 2.20520000e+02 1.37350000e+02 6.39640000e+01 3.49620000e+01 2.15940000e+01 2.11260000e+01 1.15030000e+01 5.22180000e+00 1.74490000e+00 8.21790000e-01 4.68040000e-01 3.00800000e-01 1.55000000e-01 9.58140000e-02 4.33790000e-02] total = [ 2.73070000e+06 2.42350000e+06 2.54110000e+06 1.74230000e+06 1.73890000e+06 1.40560000e+06 1.41000000e+06 1.39430000e+06 7.67220000e+05 3.14040000e+05 1.98750000e+05 4.65780000e+05 4.18590000e+05 5.81910000e+05 5.43190000e+05 4.25380000e+05 4.85910000e+05 3.63450000e+05 3.04120000e+05 3.16130000e+05 2.75410000e+05 2.81710000e+05 2.55350000e+05 1.25250000e+05 7.15390000e+04 2.53830000e+04 1.67660000e+04 3.90540000e+04 2.81870000e+04 2.26930000e+04 3.16100000e+04 2.95000000e+04 3.34200000e+04 1.63150000e+04 7.71100000e+03 4.28070000e+03 2.63510000e+03 1.21840000e+03 6.67700000e+02 4.14900000e+02 1.70610000e+03 9.73240000e+02 4.66980000e+02 1.67060000e+02 8.26140000e+01 4.88870000e+01 3.23620000e+01 1.73970000e+01 1.10230000e+01 5.07430000e+00] JM2 = 1.0394909904 JM3 = 1.14229629978 K = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 1300.1 749.53 363.34 131.17 65.222 38.753 25.735 13.898 8.8316 4.0789] JM1 = 1.02287498638 M = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.70670000e+05 2.41970000e+05 4.08540000e+05 3.81140000e+05 2.96940000e+05 3.59850000e+05 2.67710000e+05 2.23090000e+05 2.36640000e+05 2.05910000e+05 2.13530000e+05 1.93540000e+05 9.46490000e+04 5.39590000e+04 1.90710000e+04 1.25770000e+04 1.23190000e+04 9.01850000e+03 7.29960000e+03 7.14860000e+03 6.66240000e+03 6.52430000e+03 3.10220000e+03 1.44350000e+03 7.94380000e+02 4.86510000e+02 2.23710000e+02 1.22260000e+02 7.58470000e+01 7.42280000e+01 4.08320000e+01 1.88910000e+01 6.52940000e+00 3.15950000e+00 1.83840000e+00 1.20090000e+00 6.32750000e-01 3.95730000e-01 1.79440000e-01] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.26310000e+04 1.61510000e+04 1.29450000e+04 2.20630000e+04 2.06010000e+04 2.47040000e+04 1.21620000e+04 5.77450000e+03 3.21360000e+03 1.98090000e+03 9.17080000e+02 5.02890000e+02 3.12580000e+02 3.05920000e+02 1.68570000e+02 7.81150000e+01 2.70550000e+01 1.31160000e+01 7.64450000e+00 5.00100000e+00 2.64160000e+00 1.65510000e+00 7.52320000e-01] JM4 = 1.39016698918 JM5 = 2.34354716981 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 9.39360000e+03 8.81810000e+03 8.69160000e+03 4.28720000e+03 2.00750000e+03 1.09730000e+03 6.63600000e+02 2.96600000e+02 1.57670000e+02 9.55180000e+01 9.33760000e+01 4.97760000e+01 2.20870000e+01 7.20390000e+00 3.35150000e+00 1.89520000e+00 1.21280000e+00 6.21890000e-01 3.83480000e-01 1.73010000e-01] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.26310000e+04 1.61510000e+04 1.29450000e+04 1.26700000e+04 1.17830000e+04 1.15300000e+04 5.13160000e+03 2.19660000e+03 1.11850000e+03 6.39040000e+02 2.61130000e+02 1.29550000e+02 7.43110000e+01 7.24650000e+01 3.60860000e+01 1.46860000e+01 4.27300000e+00 1.84970000e+00 9.95340000e-01 6.14340000e-01 2.99420000e-01 1.78300000e-01 7.59890000e-02] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.48260000e+03 2.74290000e+03 1.57030000e+03 9.97760000e+02 6.78230000e+02 3.59350000e+02 2.15670000e+02 1.42750000e+02 1.40080000e+02 8.27090000e+01 4.13420000e+01 1.55780000e+01 7.91450000e+00 4.75390000e+00 3.17380000e+00 1.72030000e+00 1.09330000e+00 5.03320000e-01] all other = [ 2.73070000e+06 2.42350000e+06 2.54110000e+06 1.74230000e+06 1.73890000e+06 1.40560000e+06 1.41000000e+06 1.39430000e+06 7.67220000e+05 3.14040000e+05 1.98750000e+05 1.95110000e+05 1.76620000e+05 1.73370000e+05 1.62060000e+05 1.28440000e+05 1.26050000e+05 9.57460000e+04 8.10270000e+04 7.94920000e+04 6.95010000e+04 6.81790000e+04 6.18100000e+04 3.06020000e+04 1.75800000e+04 6.31130000e+03 4.18850000e+03 4.10360000e+03 3.01710000e+03 2.44830000e+03 2.39830000e+03 2.23720000e+03 2.19140000e+03 1.05120000e+03 4.92990000e+02 2.72740000e+02 1.67710000e+02 7.75630000e+01 4.25560000e+01 2.64780000e+01 2.59160000e+01 1.43070000e+01 6.64260000e+00 2.30490000e+00 1.11740000e+00 6.51060000e-01 4.25600000e-01 2.24430000e-01 1.40400000e-01 6.36770000e-02] [Np.binding] K = 119.3952 L1 = 22.4738 M5 = 3.6674 M4 = 3.8588 M1 = 5.7209 L3 = 17.6247 M3 = 4.4212 M2 = 5.367 L2 = 21.7049 [Fr] JL1 = 1.13325807665 JL3 = 2.39093175444 JL2 = 1.37792100365 energy = [ 1.00000000e+00 1.13060000e+00 1.13970000e+00 1.50000000e+00 2.00000000e+00 2.99570000e+00 3.00000000e+00 3.01960000e+00 3.13560000e+00 3.16070000e+00 3.64060000e+00 3.66980000e+00 4.00000000e+00 4.30910000e+00 4.34360000e+00 4.61900000e+00 4.65600000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 1.50180000e+01 1.51390000e+01 1.79540000e+01 1.80980000e+01 1.86280000e+01 1.87780000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.01520000e+02 1.02330000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 4.39390083556 M5 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.53380000e+05 3.21990000e+05 3.15430000e+05 2.19830000e+05 2.15030000e+05 1.68520000e+05 1.36010000e+05 1.32900000e+05 1.11870000e+05 1.09420000e+05 8.91240000e+04 5.17460000e+04 2.11730000e+04 1.02820000e+04 2.60960000e+03 2.59850000e+03 2.52740000e+03 1.38880000e+03 1.35000000e+03 1.21830000e+03 1.18420000e+03 9.45320000e+02 2.14490000e+02 7.26180000e+01 3.09130000e+01 1.52820000e+01 4.99380000e+00 2.09470000e+00 1.97560000e+00 1.91530000e+00 4.38830000e-01 1.48510000e-01 3.45090000e-02 1.30940000e-02 6.51530000e-03 3.79250000e-03 1.72300000e-03 9.84660000e-04 4.00910000e-04] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.85490000e+05 1.59380000e+05 1.56100000e+05 1.23570000e+05 1.00270000e+05 9.80310000e+04 8.22390000e+04 8.04800000e+04 6.62140000e+04 3.88740000e+04 1.62660000e+04 8.03100000e+03 2.10470000e+03 2.09600000e+03 2.04010000e+03 1.13740000e+03 1.10640000e+03 1.00100000e+03 9.73600000e+02 7.81440000e+02 1.84290000e+02 6.42970000e+01 2.80570000e+01 1.41650000e+01 4.79000000e+00 2.06360000e+00 1.94970000e+00 1.89200000e+00 4.52400000e-01 1.57150000e-01 3.72500000e-02 1.40930000e-02 6.93770000e-03 3.97070000e-03 1.73830000e-03 9.73970000e-04 3.76980000e-04] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.53070000e+04 1.38270000e+04 1.08540000e+04 7.02270000e+03 4.85090000e+03 2.34690000e+03 2.34150000e+03 2.30700000e+03 1.66910000e+03 1.64350000e+03 1.55420000e+03 1.53030000e+03 1.35360000e+03 5.95340000e+02 3.22820000e+02 1.97620000e+02 1.31020000e+02 6.73440000e+01 3.96620000e+01 3.82560000e+01 3.75310000e+01 1.48130000e+01 7.28960000e+00 2.69300000e+00 1.35030000e+00 8.03450000e-01 5.32760000e-01 2.86350000e-01 1.81260000e-01 8.32550000e-02] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 8.33400000e+04 7.37250000e+04 6.59020000e+04 6.50250000e+04 5.82390000e+04 5.73780000e+04 5.01140000e+04 3.57540000e+04 1.99060000e+04 1.22190000e+04 4.70110000e+03 4.68690000e+03 4.59610000e+03 2.99880000e+03 2.93870000e+03 2.73010000e+03 2.67480000e+03 2.27290000e+03 7.67300000e+02 3.41380000e+02 1.78610000e+02 1.04030000e+02 4.35890000e+01 2.19580000e+01 2.09590000e+01 2.04490000e+01 6.24250000e+00 2.56410000e+00 7.52620000e-01 3.27210000e-01 1.76820000e-01 1.09290000e-01 5.35140000e-02 3.19570000e-02 1.36930000e-02] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.46700000e+04 2.29980000e+04 2.28240000e+04 2.12370000e+04 1.62630000e+04 1.02780000e+04 6.83760000e+03 2.98270000e+03 2.97470000e+03 2.92360000e+03 2.00190000e+03 1.96610000e+03 1.84100000e+03 1.80770000e+03 1.56280000e+03 5.88370000e+02 2.82550000e+02 1.56890000e+02 9.59870000e+01 4.35120000e+01 2.33200000e+01 2.23530000e+01 2.18580000e+01 7.42590000e+00 3.30140000e+00 1.07540000e+00 4.98880000e-01 2.81560000e-01 1.79540000e-01 9.16660000e-02 5.64020000e-02 2.53310000e-02] total = [ 2.24810000e+06 1.79190000e+06 1.80240000e+06 1.04940000e+06 5.73970000e+05 2.34390000e+05 2.33620000e+05 6.83560000e+05 5.33210000e+05 8.08330000e+05 5.28890000e+05 6.01390000e+05 4.85940000e+05 4.02970000e+05 4.19530000e+05 3.60820000e+05 3.69280000e+05 3.11240000e+05 1.99010000e+05 9.70760000e+04 5.50550000e+04 1.93160000e+04 1.92540000e+04 4.60350000e+04 2.90140000e+04 3.99790000e+04 3.72060000e+04 4.21640000e+04 3.58340000e+04 1.25720000e+04 5.87230000e+03 3.23040000e+03 1.97480000e+03 9.03550000e+02 4.91360000e+02 4.71540000e+02 2.07190000e+03 7.72760000e+02 3.64610000e+02 1.28070000e+02 6.25470000e+01 3.66950000e+01 2.41400000e+01 1.28840000e+01 8.13980000e+00 3.74440000e+00] JM2 = 1.04109487059 JM3 = 1.13707954395 K = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 1610.5 610.33 290.08 102.6 50.312 29.606 19.525 10.46 6.624 3.0565] JM1 = 1.02344659387 M = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.53380000e+05 3.21990000e+05 6.00930000e+05 3.79220000e+05 4.54470000e+05 3.65820000e+05 3.02180000e+05 3.20630000e+05 2.75350000e+05 2.85410000e+05 2.40520000e+05 1.53490000e+05 7.46450000e+04 4.22210000e+04 1.47450000e+04 1.46980000e+04 1.43940000e+04 9.19590000e+03 9.00470000e+03 8.34450000e+03 8.17060000e+03 6.91600000e+03 2.34980000e+03 1.08370000e+03 5.92090000e+02 3.60490000e+02 1.64230000e+02 8.90990000e+01 8.54930000e+01 8.36440000e+01 2.93730000e+01 1.34610000e+01 4.59280000e+00 2.20360000e+00 1.27530000e+00 8.29350000e-01 4.35000000e-01 2.71580000e-01 1.23060000e-01] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.71780000e+04 1.69450000e+04 2.81600000e+04 2.62500000e+04 3.14350000e+04 2.67470000e+04 9.47340000e+03 4.44030000e+03 2.44680000e+03 1.49720000e+03 6.85620000e+02 3.72990000e+02 3.57950000e+02 3.50240000e+02 1.23340000e+02 5.66000000e+01 1.93450000e+01 9.29530000e+00 5.38690000e+00 3.50780000e+00 1.84380000e+00 1.15310000e+00 5.23560000e-01] JM4 = 1.5159693179 JM5 = 0.996714876915 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.15710000e+04 1.08940000e+04 1.06940000e+04 8.98040000e+03 3.15090000e+03 1.43850000e+03 7.70060000e+02 4.58350000e+02 2.00030000e+02 1.04500000e+02 1.00010000e+02 9.77170000e+01 3.20540000e+01 1.39610000e+01 4.45050000e+00 2.04220000e+00 1.14550000e+00 7.27550000e-01 3.69840000e-01 2.27090000e-01 1.01610000e-01] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.71780000e+04 1.69450000e+04 1.65890000e+04 1.53560000e+04 1.50300000e+04 1.26480000e+04 3.88560000e+03 1.63470000e+03 8.23720000e+02 4.66790000e+02 1.88370000e+02 9.25710000e+01 8.82270000e+01 8.60100000e+01 2.53900000e+01 1.02300000e+01 2.94390000e+00 1.26780000e+00 6.81590000e-01 4.19970000e-01 2.04950000e-01 1.22460000e-01 5.24450000e-02] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.71060000e+03 5.11780000e+03 2.43680000e+03 1.36710000e+03 8.53060000e+02 5.72020000e+02 2.97210000e+02 1.75920000e+02 1.69710000e+02 1.66510000e+02 6.58920000e+01 3.24090000e+01 1.19510000e+01 5.98540000e+00 3.55980000e+00 2.36020000e+00 1.26900000e+00 8.03540000e-01 3.69510000e-01] all other = [ 2.24810000e+06 1.79190000e+06 1.80240000e+06 1.04940000e+06 5.73970000e+05 2.34390000e+05 2.33620000e+05 2.30180000e+05 2.11220000e+05 2.07400000e+05 1.49670000e+05 1.46920000e+05 1.20110000e+05 1.00790000e+05 9.89030000e+04 8.54780000e+04 8.38690000e+04 7.07250000e+04 4.55220000e+04 2.24300000e+04 1.28340000e+04 4.57060000e+03 4.55620000e+03 4.46370000e+03 2.87360000e+03 2.81480000e+03 2.61160000e+03 2.55810000e+03 2.17110000e+03 7.48690000e+02 3.48330000e+02 1.91500000e+02 1.17140000e+02 5.37070000e+01 2.92730000e+01 2.80960000e+01 2.74930000e+01 9.71660000e+00 4.46990000e+00 1.53150000e+00 7.36450000e-01 4.26700000e-01 2.77710000e-01 1.45780000e-01 9.10720000e-02 4.12630000e-02] [Fr.binding] K = 101.6196 L1 = 18.647 M5 = 2.9986 M4 = 3.1387 M1 = 4.6236 L3 = 15.0335 M3 = 3.6443 M2 = 4.3134 L2 = 17.9724 [Fe] energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 7.07630000e+00 7.13300000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 2.04740000e+04 7.58690000e+03 3.56040000e+03 1.14650000e+03 4.89930000e+02 2.46950000e+02 1.38920000e+02 8.16220000e+01 7.95310000e+01 5.46160000e+01 2.59600000e+01 6.45690000e+00 2.33780000e+00 5.40710000e-01 1.88470000e-01 8.26540000e-02 4.20610000e-02 1.44960000e-02 6.37540000e-03 1.46700000e-03 5.32990000e-04 1.36210000e-04 5.48470000e-05 2.81620000e-05 1.68170000e-05 7.88310000e-06 4.60340000e-06 1.92180000e-06] M = [ 9.14000000e+04 3.44730000e+04 1.67960000e+04 5.90370000e+03 2.75360000e+03 1.50730000e+03 9.15250000e+02 5.80130000e+02 5.67430000e+02 4.12280000e+02 2.20390000e+02 6.94630000e+01 3.02080000e+01 9.16840000e+00 3.88450000e+00 1.97980000e+00 1.13760000e+00 4.71580000e-01 2.37330000e-01 6.80810000e-02 2.82780000e-02 8.45540000e-03 3.73670000e-03 2.05140000e-03 1.29100000e-03 6.56930000e-04 4.08210000e-04 1.90080000e-04] L = [ 7.49230000e+05 2.79710000e+05 1.33290000e+05 4.53350000e+04 2.07020000e+04 1.11770000e+04 6.72250000e+03 4.22940000e+03 4.13550000e+03 2.99090000e+03 1.58590000e+03 4.93530000e+02 2.13060000e+02 6.41530000e+01 2.70590000e+01 1.37640000e+01 7.89250000e+00 3.26320000e+00 1.63950000e+00 4.69140000e-01 1.94600000e-01 5.81090000e-02 2.56730000e-02 1.40910000e-02 8.86610000e-03 4.51090000e-03 2.80300000e-03 1.30490000e-03] M5 = [ 5.70770000e+03 1.34300000e+03 4.59810000e+02 9.50610000e+01 2.95850000e+01 1.16550000e+01 5.33540000e+00 2.62550000e+00 2.53660000e+00 1.54350000e+00 5.82560000e-01 9.56750000e-02 2.57900000e-02 3.98430000e-03 1.05250000e-03 3.74400000e-04 1.61330000e-04 4.30380000e-05 1.56580000e-05 2.61360000e-06 7.77790000e-07 1.57290000e-07 5.61870000e-08 2.70100000e-08 1.56370000e-08 7.14740000e-09 4.17680000e-09 1.82470000e-09] M4 = [ 3.88580000e+03 9.16990000e+02 3.14650000e+02 6.52870000e+01 2.03810000e+01 8.05140000e+00 3.71470000e+00 1.83280000e+00 1.77100000e+00 1.07990000e+00 4.09280000e-01 6.78390000e-02 1.84390000e-02 2.88800000e-03 7.71940000e-04 2.77500000e-04 1.20550000e-04 3.26650000e-05 1.20110000e-05 2.04130000e-06 6.08480000e-07 1.20900000e-07 4.13550000e-08 1.89690000e-08 1.03300000e-08 4.24670000e-09 2.27710000e-09 8.53770000e-10] L2 = [ 2.14220000e+05 7.44960000e+04 3.31710000e+04 9.98960000e+03 4.10180000e+03 2.01490000e+03 1.11340000e+03 6.45060000e+02 6.28130000e+02 4.27600000e+02 2.00130000e+02 4.86100000e+01 1.73770000e+01 3.96730000e+00 1.37130000e+00 5.98490000e-01 3.03550000e-01 1.04170000e-01 4.56790000e-02 1.04690000e-02 3.79400000e-03 9.70330000e-04 3.90210000e-04 2.00350000e-04 1.19750000e-04 5.61920000e-05 3.27260000e-05 1.37320000e-05] L3 = [ 4.18030000e+05 1.43910000e+05 6.36490000e+04 1.89980000e+04 7.74890000e+03 3.78580000e+03 2.08210000e+03 1.20080000e+03 1.16910000e+03 7.93210000e+02 3.68710000e+02 8.82800000e+01 3.11810000e+01 6.97650000e+00 2.37040000e+00 1.01900000e+00 5.09850000e-01 1.70840000e-01 7.34230000e-02 1.61950000e-02 5.72440000e-03 1.42210000e-03 5.71220000e-04 2.96730000e-04 1.80240000e-04 8.80010000e-05 5.37250000e-05 2.42260000e-05] M3 = [ 3.98570000e+04 1.46430000e+04 6.83000000e+03 2.17990000e+03 9.25380000e+02 4.63890000e+02 2.59700000e+02 1.51880000e+02 1.47960000e+02 1.01260000e+02 4.77940000e+01 1.17150000e+01 4.19130000e+00 9.50490000e-01 3.24810000e-01 1.40270000e-01 7.04190000e-02 2.36950000e-02 1.02100000e-02 2.26060000e-03 8.00450000e-04 1.99550000e-04 8.01450000e-05 4.16420000e-05 2.53350000e-05 1.23940000e-05 7.53570000e-06 3.42060000e-06] L1 = [ 1.16980000e+05 6.13020000e+04 3.64650000e+04 1.63480000e+04 8.85170000e+03 5.37610000e+03 3.52700000e+03 2.38350000e+03 2.33830000e+03 1.77010000e+03 1.01710000e+03 3.56640000e+02 1.64510000e+02 5.32090000e+01 2.33170000e+01 1.21460000e+01 7.07910000e+00 2.98820000e+00 1.52040000e+00 4.42480000e-01 1.85080000e-01 5.57160000e-02 2.47120000e-02 1.35930000e-02 8.56610000e-03 4.36670000e-03 2.71650000e-03 1.26700000e-03] JK = 7.73353751914 M1 = [ 2.14750000e+04 9.98290000e+03 5.63100000e+03 2.41690000e+03 1.28840000e+03 7.76770000e+02 5.07580000e+02 3.42160000e+02 3.35630000e+02 2.53780000e+02 1.45640000e+02 5.11270000e+01 2.36340000e+01 7.67040000e+00 3.36940000e+00 1.75630000e+00 1.02480000e+00 4.33310000e-01 2.20720000e-01 6.43490000e-02 2.69430000e-02 8.11940000e-03 3.60160000e-03 1.98160000e-03 1.24880000e-03 6.36640000e-04 3.96070000e-04 1.84740000e-04] all other = [ 1.44940000e+03 6.64980000e+02 3.73000000e+02 1.59240000e+02 8.51800000e+01 5.13060000e+01 3.35080000e+01 2.25810000e+01 2.21490000e+01 1.67450000e+01 9.60780000e+00 3.37250000e+00 1.55910000e+00 5.06030000e-01 2.22280000e-01 1.15990000e-01 6.76900000e-02 2.86260000e-02 1.45830000e-02 4.25210000e-03 1.78050000e-03 5.36640000e-04 2.38090000e-04 1.31050000e-04 8.26300000e-05 4.21970000e-05 2.63130000e-05 1.23990000e-05] total = [ 8.42080000e+05 3.14840000e+05 1.50450000e+05 5.13980000e+04 2.35410000e+04 1.27360000e+04 7.67130000e+03 4.83220000e+03 3.73700000e+04 2.81890000e+04 1.57050000e+04 5.21450000e+03 2.32270000e+03 7.19860000e+02 3.07520000e+02 1.57460000e+02 9.06630000e+01 3.76480000e+01 1.89550000e+01 5.43520000e+00 2.25570000e+00 6.73730000e-01 2.97630000e-01 1.63400000e-01 1.02870000e-01 5.23970000e-02 3.25940000e-02 1.52110000e-02] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.26450000e+04 2.47690000e+04 1.38890000e+04 4.64810000e+03 2.07780000e+03 6.46030000e+02 2.76350000e+02 1.41600000e+02 8.15650000e+01 3.38850000e+01 1.70640000e+01 4.89370000e+00 2.03110000e+00 6.06630000e-01 2.67980000e-01 1.47130000e-01 9.26270000e-02 4.71870000e-02 2.93560000e-02 1.37040000e-02] [Fe.binding] K = 7.0834 L1 = 0.843 M5 = 0.0127 M4 = 0.0129 M1 = 0.101 L3 = 0.7207 M3 = 0.0664 M2 = 0.0681 L2 = 0.7336 [Fm] JL1 = 1.13124530636 JL3 = 2.26659276708 JL2 = 1.41180255001 energy = [ 1.00000000e+00 1.06070000e+00 1.06920000e+00 1.35810000e+00 1.36900000e+00 1.50000000e+00 1.73860000e+00 1.75250000e+00 1.92970000e+00 1.94520000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 4.48710000e+00 4.52300000e+00 4.75530000e+00 4.79340000e+00 5.00000000e+00 5.38640000e+00 5.42960000e+00 6.00000000e+00 6.78030000e+00 6.83460000e+00 7.19180000e+00 7.24940000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 2.08700000e+01 2.10370000e+01 2.67730000e+01 2.69870000e+01 2.76710000e+01 2.78930000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.42940000e+02 1.44090000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 3.78330422246 M5 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.97250000e+05 1.84570000e+05 1.80730000e+05 1.62590000e+05 1.34020000e+05 1.31130000e+05 9.85700000e+04 6.85450000e+04 6.70220000e+04 5.78080000e+04 5.64450000e+04 4.17730000e+04 2.10430000e+04 5.67150000e+03 2.13840000e+03 1.84630000e+03 1.79600000e+03 7.69690000e+02 7.48130000e+02 6.84310000e+02 6.65110000e+02 5.12410000e+02 1.79920000e+02 7.87110000e+01 3.97580000e+01 1.34110000e+01 5.76210000e+00 1.49780000e+00 1.45380000e+00 1.25070000e+00 4.33600000e-01 1.03150000e-01 3.95420000e-02 1.96290000e-02 1.14310000e-02 5.21690000e-03 2.97680000e-03 1.20250000e-03] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.23570000e+05 1.19690000e+05 9.96860000e+04 9.77370000e+04 7.49950000e+04 5.28140000e+04 5.15980000e+04 4.44890000e+04 4.35220000e+04 3.26850000e+04 1.67960000e+04 4.70130000e+03 1.82610000e+03 1.58330000e+03 1.54150000e+03 6.79010000e+02 6.60620000e+02 6.05990000e+02 5.89500000e+02 4.57950000e+02 1.66550000e+02 7.49880000e+01 3.88090000e+01 1.36140000e+01 6.02890000e+00 1.64180000e+00 1.59500000e+00 1.37900000e+00 4.93250000e-01 1.20870000e-01 4.66550000e-02 2.30750000e-02 1.33230000e-02 5.98250000e-03 3.34580000e-03 1.31570000e-03] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 8.36960000e+03 7.26240000e+03 5.36360000e+03 2.85750000e+03 1.73370000e+03 1.60490000e+03 1.58170000e+03 1.00760000e+03 9.92280000e+02 9.45560000e+02 9.31110000e+02 8.08640000e+02 4.54550000e+02 2.85680000e+02 1.93380000e+02 1.02600000e+02 6.19250000e+01 2.70720000e+01 2.65710000e+01 2.41830000e+01 1.22880000e+01 4.75000000e+00 2.45620000e+00 1.49350000e+00 1.00560000e+00 5.50450000e-01 3.51320000e-01 1.61860000e-01] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.66780000e+04 4.78090000e+04 3.89740000e+04 3.83840000e+04 3.47290000e+04 3.41810000e+04 2.81370000e+04 1.79970000e+04 7.41630000e+03 3.74120000e+03 3.36980000e+03 3.30440000e+03 1.79910000e+03 1.76250000e+03 1.65210000e+03 1.61830000e+03 1.33780000e+03 6.18590000e+02 3.33040000e+02 1.98390000e+02 8.60090000e+01 4.44220000e+01 1.52140000e+01 1.48530000e+01 1.31590000e+01 5.54490000e+00 1.67410000e+00 7.37610000e-01 4.00480000e-01 2.47930000e-01 1.21270000e-01 7.21490000e-02 3.04940000e-02] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.31840000e+04 1.25340000e+04 1.24250000e+04 1.13700000e+04 8.33410000e+03 4.29980000e+03 2.47090000e+03 2.26550000e+03 2.22890000e+03 1.33930000e+03 1.31630000e+03 1.24650000e+03 1.22490000e+03 1.04200000e+03 5.37700000e+02 3.14430000e+02 2.00310000e+02 9.64440000e+01 5.40060000e+01 2.10260000e+01 2.05850000e+01 1.84990000e+01 8.61450000e+00 2.96970000e+00 1.42490000e+00 8.21500000e-01 5.32020000e-01 2.77430000e-01 1.72660000e-01 7.87520000e-02] total = [ 3.16240000e+06 3.06980000e+06 3.11850000e+06 2.09590000e+06 2.19650000e+06 1.83830000e+06 1.36080000e+06 1.35410000e+06 1.10600000e+06 1.10660000e+06 1.04280000e+06 4.27890000e+05 2.20880000e+05 1.68690000e+05 3.62800000e+05 3.31630000e+05 4.48610000e+05 4.12840000e+05 3.43030000e+05 3.92800000e+05 3.05740000e+05 2.23080000e+05 2.31730000e+05 2.03920000e+05 2.08250000e+05 1.63110000e+05 9.36610000e+04 3.36700000e+04 1.61070000e+04 1.44340000e+04 3.27160000e+04 1.70980000e+04 2.41390000e+04 2.26370000e+04 2.56080000e+04 2.12810000e+04 1.02850000e+04 5.77510000e+03 3.58800000e+03 1.68200000e+03 9.31130000e+02 3.60690000e+02 1.36460000e+03 1.23950000e+03 6.04880000e+02 2.21580000e+02 1.11390000e+02 6.66840000e+01 4.45000000e+01 2.41550000e+01 1.53710000e+01 7.08510000e+00] JM2 = 1.03877532724 JM3 = 1.14508935079 K = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 1011.5 922.08 456.01 169.17 85.709 51.602 34.587 18.885 12.059 5.578] JM1 = 1.02123381718 M = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.97250000e+05 1.84570000e+05 3.04300000e+05 2.82290000e+05 2.33700000e+05 2.85540000e+05 2.21370000e+05 1.60330000e+05 1.70190000e+05 1.49560000e+05 1.54940000e+05 1.21230000e+05 6.95330000e+04 2.49460000e+04 1.19100000e+04 1.06700000e+04 1.04520000e+04 5.59470000e+03 5.47990000e+03 5.13450000e+03 5.02890000e+03 4.15870000e+03 1.95730000e+03 1.08690000e+03 6.70650000e+02 3.12080000e+02 1.72140000e+02 6.64510000e+01 6.50580000e+01 5.84710000e+01 2.73740000e+01 9.61790000e+00 4.70490000e+00 2.75820000e+00 1.81030000e+00 9.60350000e-01 6.02450000e-01 2.73620000e-01] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.85760000e+04 9.51880000e+03 1.67150000e+04 1.56800000e+04 1.87940000e+04 1.56430000e+04 7.62770000e+03 4.29790000e+03 2.67570000e+03 1.25700000e+03 6.96450000e+02 2.69980000e+02 2.64340000e+02 2.37640000e+02 1.11460000e+02 3.92570000e+01 1.92460000e+01 1.13060000e+01 7.43430000e+00 3.95520000e+00 2.48640000e+00 1.13240000e+00] JM4 = 1.35274251425 JM5 = 2.15069061592 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 7.40050000e+03 6.98210000e+03 6.89890000e+03 5.70930000e+03 2.83870000e+03 1.59560000e+03 9.85270000e+02 4.54160000e+02 2.46740000e+02 9.22260000e+01 9.02210000e+01 8.07610000e+01 3.66620000e+01 1.22990000e+01 5.81970000e+00 3.32840000e+00 2.14460000e+00 1.11240000e+00 6.90430000e-01 3.13920000e-01] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.85760000e+04 9.51880000e+03 9.31450000e+03 8.69780000e+03 8.50870000e+03 6.93850000e+03 3.00050000e+03 1.54560000e+03 8.91210000e+02 3.69180000e+02 1.85050000e+02 6.09160000e+01 5.94240000e+01 5.24450000e+01 2.15740000e+01 6.35350000e+00 2.76550000e+00 1.49150000e+00 9.19660000e-01 4.48080000e-01 2.66110000e-01 1.12650000e-01] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.38600000e+03 2.99520000e+03 1.78850000e+03 1.15660000e+03 7.99180000e+02 4.33640000e+02 2.64660000e+02 1.16840000e+02 1.14690000e+02 1.04440000e+02 5.32240000e+01 2.06050000e+01 1.06610000e+01 6.48630000e+00 4.37000000e+00 2.39480000e+00 1.52980000e+00 7.05790000e-01] all other = [ 3.16240000e+06 3.06980000e+06 3.11850000e+06 2.09590000e+06 2.19650000e+06 1.83830000e+06 1.36080000e+06 1.35410000e+06 1.10600000e+06 1.10660000e+06 1.04280000e+06 4.27890000e+05 2.20880000e+05 1.68690000e+05 1.65550000e+05 1.47060000e+05 1.44310000e+05 1.30550000e+05 1.09320000e+05 1.07260000e+05 8.43640000e+04 6.27510000e+04 6.15450000e+04 5.43580000e+04 5.33100000e+04 4.18830000e+04 2.41270000e+04 8.72360000e+03 4.19690000e+03 3.76390000e+03 3.68790000e+03 1.98430000e+03 1.94390000e+03 1.82230000e+03 1.78520000e+03 1.47870000e+03 7.00110000e+02 3.90380000e+02 2.41650000e+02 1.12980000e+02 6.25330000e+01 2.42560000e+01 2.37490000e+01 2.13550000e+01 1.00340000e+01 3.53800000e+00 1.73380000e+00 1.01730000e+00 6.68350000e-01 3.54750000e-01 2.22610000e-01 1.01090000e-01] [Fm.binding] K = 143.0865 L1 = 27.6986 M5 = 4.4916 M4 = 4.7601 M1 = 7.199 L3 = 20.8907 M3 = 5.3918 M2 = 6.7871 L2 = 26.7999 [B] energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0.] L = [ 9.42740000e+02 2.95120000e+02 1.25930000e+02 3.70480000e+01 1.52760000e+01 7.60420000e+00 4.27140000e+00 1.70220000e+00 8.27580000e-01 2.20020000e-01 8.51550000e-02 2.21200000e-02 8.45550000e-03 4.00260000e-03 2.17130000e-03 8.27490000e-04 3.92290000e-04 1.02220000e-04 4.00300000e-05 1.11750000e-05 4.75520000e-06 2.55470000e-06 1.58790000e-06 8.00970000e-07 4.98810000e-07 2.37360000e-07] L2 = [ 4.36310000e+00 9.02020000e-01 2.88090000e-01 5.78240000e-02 1.81320000e-02 7.27690000e-03 3.43310000e-03 1.03660000e-03 4.07300000e-04 7.37250000e-05 2.18470000e-05 3.93340000e-06 1.17180000e-06 4.60780000e-07 2.16510000e-07 6.63280000e-08 2.68500000e-08 5.44080000e-09 1.82330000e-09 4.25260000e-10 1.60520000e-10 7.95470000e-11 4.60910000e-11 2.10540000e-11 1.21520000e-11 6.06140000e-12] L3 = [ 8.68430000e+00 1.79490000e+00 5.72720000e-01 1.14510000e-01 3.58440000e-02 1.43740000e-02 6.76620000e-03 2.03900000e-03 7.98840000e-04 1.43810000e-04 4.23510000e-05 7.57190000e-06 2.23570000e-06 8.72230000e-07 4.05080000e-07 1.22650000e-07 4.92880000e-08 9.74900000e-09 3.25280000e-09 7.58710000e-10 2.99460000e-10 1.52970000e-10 9.35380000e-11 4.64580000e-11 2.97190000e-11 1.69360000e-11] L1 = [ 9.29690000e+02 2.92430000e+02 1.25070000e+02 3.68750000e+01 1.52220000e+01 7.58260000e+00 4.26120000e+00 1.69910000e+00 8.26380000e-01 2.19810000e-01 8.50910000e-02 2.21080000e-02 8.45210000e-03 4.00120000e-03 2.17070000e-03 8.27300000e-04 3.92210000e-04 1.02200000e-04 4.00250000e-05 1.11740000e-05 4.75470000e-06 2.55450000e-06 1.58780000e-06 8.00900000e-07 4.98770000e-07 2.37340000e-07] all other = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0.] total = [ 2.20460000e+04 6.74890000e+03 2.85630000e+03 8.29020000e+02 3.38690000e+02 1.67550000e+02 9.37540000e+01 3.71700000e+01 1.80120000e+01 4.76670000e+00 1.84040000e+00 4.76800000e-01 1.81990000e-01 8.60630000e-02 4.66500000e-02 1.77570000e-02 8.43210000e-03 2.19680000e-03 8.60570000e-04 2.40330000e-04 1.02320000e-04 5.49700000e-05 3.41680000e-05 1.72220000e-05 1.07080000e-05 5.06010000e-06] K = [ 2.11030000e+04 6.45380000e+03 2.73030000e+03 7.91980000e+02 3.23410000e+02 1.59940000e+02 8.94830000e+01 3.54680000e+01 1.71850000e+01 4.54670000e+00 1.75520000e+00 4.54680000e-01 1.73540000e-01 8.20600000e-02 4.44780000e-02 1.69300000e-02 8.03980000e-03 2.09460000e-03 8.20540000e-04 2.29160000e-04 9.75620000e-05 5.24150000e-05 3.25800000e-05 1.64210000e-05 1.02090000e-05 4.82270000e-06] [B.binding] K = 0.1956 L2 = 0.0067 L3 = 0.0067 L1 = 0.0126 [F] energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0.] L = [ 1.03210000e+04 3.43480000e+03 1.54360000e+03 4.88160000e+02 2.11300000e+02 1.09170000e+02 6.31840000e+01 2.63470000e+01 1.32490000e+01 3.73010000e+00 1.49730000e+00 4.06840000e-01 1.59840000e-01 7.71150000e-02 4.24280000e-02 1.64960000e-02 7.92930000e-03 2.11090000e-03 8.37430000e-04 2.37210000e-04 1.01760000e-04 5.48990000e-05 3.42080000e-05 1.72740000e-05 1.07400000e-05 5.06520000e-06] L2 = [ 8.60190000e+02 2.12150000e+02 7.56610000e+01 1.70320000e+01 5.71270000e+00 2.40320000e+00 1.17470000e+00 3.75450000e-01 1.53740000e-01 2.99840000e-02 9.30950000e-03 1.77220000e-03 5.45710000e-04 2.19450000e-04 1.04680000e-04 3.28770000e-05 1.35580000e-05 2.81690000e-06 9.62550000e-07 2.28690000e-07 8.82380000e-08 4.40390000e-08 2.57900000e-08 1.17700000e-08 6.73690000e-09 2.75390000e-09] L3 = [ 1.70090000e+03 4.18900000e+02 1.49220000e+02 3.35200000e+01 1.12200000e+01 4.71270000e+00 2.30100000e+00 7.30640000e-01 2.98280000e-01 5.77570000e-02 1.78180000e-02 3.35240000e-03 1.02140000e-03 4.06990000e-04 1.92300000e-04 5.94730000e-05 2.41830000e-05 4.90460000e-06 1.65090000e-06 3.90550000e-07 1.52910000e-07 7.85800000e-08 4.75130000e-08 2.32780000e-08 1.42940000e-08 6.69190000e-09] L1 = [ 7.75970000e+03 2.80370000e+03 1.31880000e+03 4.37610000e+02 1.94370000e+02 1.02060000e+02 5.97080000e+01 2.52410000e+01 1.27970000e+01 3.64230000e+00 1.47020000e+00 4.01710000e-01 1.58270000e-01 7.64890000e-02 4.21310000e-02 1.64040000e-02 7.89160000e-03 2.10320000e-03 8.34820000e-04 2.36600000e-04 1.01520000e-04 5.47760000e-05 3.41340000e-05 1.72390000e-05 1.07190000e-05 5.05570000e-06] all other = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0.] total = [ 1.78170000e+05 6.23750000e+04 2.84960000e+04 9.07290000e+03 3.93130000e+03 2.02960000e+03 1.17380000e+03 4.88830000e+02 2.45480000e+02 6.89040000e+01 2.75960000e+01 7.47610000e+00 2.93230000e+00 1.41310000e+00 7.76870000e-01 3.01720000e-01 1.44920000e-01 3.85350000e-02 1.52740000e-02 4.33040000e-03 1.85750000e-03 1.00220000e-03 6.24460000e-04 3.15340000e-04 1.96010000e-04 9.23380000e-05] K = [ 1.67850000e+05 5.89410000e+04 2.69520000e+04 8.58480000e+03 3.72000000e+03 1.92040000e+03 1.11070000e+03 4.62480000e+02 2.32230000e+02 6.51740000e+01 2.60990000e+01 7.06930000e+00 2.77250000e+00 1.33600000e+00 7.34450000e-01 2.85220000e-01 1.36990000e-01 3.64240000e-02 1.44370000e-02 4.09320000e-03 1.75570000e-03 9.47300000e-04 5.90250000e-04 2.98070000e-04 1.85270000e-04 8.72730000e-05] [F.binding] K = 0.6884 L2 = 0.017 L3 = 0.017 L1 = 0.0359 [Sr] JL1 = 1.1182767624 JL3 = 3.86563431759 JL2 = 1.36800236502 energy = [ 1.00000000e+00 1.50000000e+00 1.94040000e+00 1.95590000e+00 2.00000000e+00 2.01020000e+00 2.02630000e+00 2.19810000e+00 2.21570000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 1.60510000e+01 1.61800000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 6.48930000e+04 3.01790000e+04 1.74460000e+04 1.71400000e+04 1.63100000e+04 1.61260000e+04 1.58400000e+04 1.31730000e+04 1.29340000e+04 6.27430000e+03 3.01010000e+03 1.65350000e+03 9.95820000e+02 4.34200000e+02 2.22680000e+02 6.29720000e+01 5.06990000e+01 4.94170000e+01 2.48240000e+01 6.42210000e+00 2.40550000e+00 1.11210000e+00 5.89570000e-01 2.15720000e-01 9.89600000e-02 2.44140000e-02 9.24350000e-03 2.47850000e-03 1.02520000e-03 5.36550000e-04 3.24590000e-04 1.54610000e-04 9.12060000e-05 3.86550000e-05] M = [ 4.75460000e+05 1.80470000e+05 9.54340000e+04 9.35460000e+04 8.84590000e+04 8.73360000e+04 8.56040000e+04 6.97170000e+04 6.83230000e+04 3.14130000e+04 1.47790000e+04 8.15500000e+03 4.98930000e+03 2.27720000e+03 1.23040000e+03 3.95990000e+02 3.27070000e+02 3.19780000e+02 1.75200000e+02 5.47220000e+01 2.37320000e+01 1.23440000e+01 7.21160000e+00 3.07120000e+00 1.57850000e+00 4.70010000e-01 1.99970000e-01 6.16810000e-02 2.77580000e-02 1.54070000e-02 9.75880000e-03 4.99230000e-03 3.10130000e-03 1.43260000e-03] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.99970000e+05 2.79510000e+05 2.76840000e+05 4.15630000e+05 3.45070000e+05 3.96400000e+05 1.86630000e+05 8.91610000e+04 4.94140000e+04 3.02580000e+04 1.37930000e+04 7.43430000e+03 2.38060000e+03 1.96470000e+03 1.92070000e+03 1.04990000e+03 3.26640000e+02 1.41280000e+02 7.33490000e+01 4.27900000e+01 1.81860000e+01 9.33340000e+00 2.77270000e+00 1.17900000e+00 3.63180000e-01 1.63320000e-01 9.06270000e-02 5.73990000e-02 2.93630000e-02 1.82440000e-02 8.43090000e-03] M5 = [ 1.38430000e+05 3.95790000e+04 1.69880000e+04 1.65390000e+04 1.53430000e+04 1.50820000e+04 1.46810000e+04 1.11300000e+04 1.08300000e+04 3.73700000e+03 1.30280000e+03 5.60020000e+02 2.76470000e+02 8.82340000e+01 3.55380000e+01 6.48640000e+00 4.85640000e+00 4.69330000e+00 1.88250000e+00 3.20360000e-01 8.99600000e-02 3.34270000e-02 1.48810000e-02 4.14930000e-03 1.56370000e-03 2.76070000e-04 8.47270000e-05 1.77240000e-05 6.44790000e-06 3.13160000e-06 1.78170000e-06 8.28560000e-07 4.65630000e-07 1.94730000e-07] M4 = [ 9.48190000e+04 2.72550000e+04 1.17410000e+04 1.14320000e+04 1.06080000e+04 1.04290000e+04 1.01530000e+04 7.70610000e+03 7.49930000e+03 2.60030000e+03 9.11130000e+02 3.93350000e+02 1.94920000e+02 6.26210000e+01 2.53700000e+01 4.69050000e+00 3.52040000e+00 3.40310000e+00 1.37610000e+00 2.38290000e-01 6.78920000e-02 2.55410000e-02 1.14930000e-02 3.28330000e-03 1.25460000e-03 2.27060000e-04 7.03630000e-05 1.45710000e-05 5.08800000e-06 2.36810000e-06 1.32010000e-06 5.47630000e-07 2.99820000e-07 1.11690000e-07] L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.43130000e+05 1.18540000e+05 1.16360000e+05 5.23090000e+04 2.36880000e+04 1.24560000e+04 7.25810000e+03 3.02260000e+03 1.50200000e+03 4.05250000e+02 3.24140000e+02 3.15700000e+02 1.55680000e+02 3.91470000e+01 1.44320000e+01 6.60520000e+00 3.47710000e+00 1.26090000e+00 5.75300000e-01 1.40580000e-01 5.29900000e-02 1.41420000e-02 5.83540000e-03 3.04750000e-03 1.84000000e-03 8.79460000e-04 5.18460000e-04 2.19260000e-04] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.99970000e+05 2.79510000e+05 2.76840000e+05 2.72510000e+05 2.26530000e+05 2.21960000e+05 9.80540000e+04 4.36860000e+04 2.27250000e+04 1.31270000e+04 5.38880000e+03 2.64750000e+03 6.98560000e+02 5.56450000e+02 5.41700000e+02 2.63640000e+02 6.44340000e+01 2.32110000e+01 1.04140000e+01 5.38590000e+00 1.89480000e+00 8.42860000e-01 1.96220000e-01 7.15400000e-02 1.84050000e-02 7.50650000e-03 3.93030000e-03 2.39840000e-03 1.17150000e-03 7.09340000e-04 3.19640000e-04] M3 = [ 1.28660000e+05 5.84390000e+04 3.33480000e+04 3.27510000e+04 3.11330000e+04 3.07740000e+04 3.02180000e+04 2.50300000e+04 2.45670000e+04 1.17520000e+04 5.56500000e+03 3.02550000e+03 1.80650000e+03 7.76660000e+02 3.93750000e+02 1.08850000e+02 8.72750000e+01 8.50260000e+01 4.21410000e+01 1.05910000e+01 3.87520000e+00 1.75620000e+00 9.14670000e-01 3.24730000e-01 1.45290000e-01 3.40440000e-02 1.24630000e-02 3.21950000e-03 1.31580000e-03 6.89320000e-04 4.20400000e-04 2.06200000e-04 1.24930000e-04 5.61060000e-05] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.80730000e+04 3.62650000e+04 2.17860000e+04 1.42330000e+04 9.87370000e+03 5.38200000e+03 3.28480000e+03 1.27670000e+03 1.08410000e+03 1.06330000e+03 6.30550000e+02 2.23060000e+02 1.03640000e+02 5.63310000e+01 3.39270000e+01 1.50300000e+01 7.91530000e+00 2.43590000e+00 1.05450000e+00 3.30630000e-01 1.49980000e-01 8.36490000e-02 5.31600000e-02 2.73120000e-02 1.70160000e-02 7.89200000e-03] JK = 6.74554946936 M1 = [ 4.86580000e+04 2.50180000e+04 1.59110000e+04 1.56840000e+04 1.50650000e+04 1.49260000e+04 1.47120000e+04 1.26780000e+04 1.24930000e+04 7.04870000e+03 3.99010000e+03 2.52260000e+03 1.71550000e+03 9.15450000e+02 5.53080000e+02 2.13000000e+02 1.80720000e+02 1.77240000e+02 1.04970000e+02 3.71500000e+01 1.72930000e+01 9.41690000e+00 5.68100000e+00 2.52340000e+00 1.33140000e+00 4.11050000e-01 1.78110000e-01 5.59510000e-02 2.54050000e-02 1.41760000e-02 9.01070000e-03 4.63010000e-03 2.88440000e-03 1.33760000e-03] all other = [ 3.19780000e+04 1.46130000e+04 8.53960000e+03 8.39470000e+03 8.00160000e+03 7.91420000e+03 7.77910000e+03 6.51770000e+03 6.40450000e+03 3.23260000e+03 1.63890000e+03 9.49970000e+02 6.01910000e+02 2.88060000e+02 1.60610000e+02 5.41630000e+01 4.50410000e+01 4.40710000e+01 2.46190000e+01 7.92850000e+00 3.49700000e+00 1.83910000e+00 1.08270000e+00 4.65790000e-01 2.40920000e-01 7.23690000e-02 3.09530000e-02 9.59140000e-03 4.32610000e-03 2.40460000e-03 1.52450000e-03 7.80940000e-04 4.85700000e-04 2.25010000e-04] total = [ 5.07440000e+05 1.95080000e+05 1.03970000e+05 4.01910000e+05 3.75970000e+05 3.72090000e+05 5.09020000e+05 4.21300000e+05 4.71130000e+05 2.21270000e+05 1.05580000e+05 5.85190000e+04 3.58500000e+04 1.63590000e+04 8.82540000e+03 2.83070000e+03 2.33680000e+03 1.57630000e+04 9.15450000e+03 3.05180000e+03 1.36640000e+03 7.23180000e+02 4.27010000e+02 1.83970000e+02 9.51020000e+01 2.84700000e+01 1.21400000e+01 3.74750000e+00 1.68760000e+00 9.37670000e-01 5.94700000e-01 3.05070000e-01 1.90030000e-01 8.82100000e-02] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.34780000e+04 7.90480000e+03 2.66250000e+03 1.19790000e+03 6.35640000e+02 3.75920000e+02 1.62240000e+02 8.39490000e+01 2.51550000e+01 1.07300000e+01 3.31300000e+00 1.49220000e+00 8.29230000e-01 5.26010000e-01 2.69940000e-01 1.68200000e-01 7.81210000e-02] [Sr.binding] K = 16.0673 L1 = 2.2003 M5 = 0.143 M4 = 0.1449 M1 = 0.3504 L3 = 1.9423 M3 = 0.2695 M2 = 0.2804 L2 = 2.0122 [N] energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0.] L = [ 3.75080000e+03 1.23820000e+03 5.50930000e+02 1.69680000e+02 7.19670000e+01 3.66150000e+01 2.09400000e+01 8.58080000e+00 4.25740000e+00 1.16940000e+00 4.61670000e-01 1.22830000e-01 4.76360000e-02 2.27750000e-02 1.24460000e-02 4.79270000e-03 2.28850000e-03 6.02970000e-04 2.37720000e-04 6.68640000e-05 2.85740000e-05 1.53830000e-05 9.57210000e-06 4.83060000e-06 3.00460000e-06 1.42110000e-06] L2 = [ 1.23740000e+02 2.84420000e+01 9.73360000e+00 2.02370000e+00 6.46570000e-01 2.65900000e-01 1.28350000e-01 4.02370000e-02 1.62220000e-02 3.05590000e-03 9.26570000e-04 1.71680000e-04 5.20190000e-05 2.06880000e-05 9.78390000e-06 3.03820000e-06 1.24120000e-06 2.54980000e-07 8.63460000e-08 2.03480000e-08 7.77530000e-09 3.87900000e-09 2.25320000e-09 1.02140000e-09 5.84980000e-10 2.43620000e-10] L3 = [ 2.45580000e+02 5.63850000e+01 1.92750000e+01 4.00170000e+00 1.27720000e+00 5.24410000e-01 2.51920000e-01 7.87490000e-02 3.16650000e-02 5.92590000e-03 1.78620000e-03 3.27410000e-04 9.82170000e-05 3.87220000e-05 1.81660000e-05 5.55300000e-06 2.24550000e-06 4.49720000e-07 1.50660000e-07 3.53570000e-08 1.38780000e-08 7.09740000e-09 4.32210000e-09 2.12440000e-09 1.31270000e-09 6.28920000e-10] L1 = [ 3.38150000e+03 1.15340000e+03 5.21920000e+02 1.63660000e+02 7.00430000e+01 3.58250000e+01 2.05600000e+01 8.46190000e+00 4.20950000e+00 1.16040000e+00 4.58960000e-01 1.22330000e-01 4.74860000e-02 2.27160000e-02 1.24180000e-02 4.78410000e-03 2.28500000e-03 6.02270000e-04 2.37480000e-04 6.68080000e-05 2.85520000e-05 1.53720000e-05 9.56550000e-06 4.82740000e-06 3.00270000e-06 1.42020000e-06] all other = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0.] total = [ 7.69900000e+04 2.51520000e+04 1.10660000e+04 3.36660000e+03 1.41810000e+03 7.18050000e+02 4.09260000e+02 1.66780000e+02 8.24130000e+01 2.25020000e+01 8.85500000e+00 2.34770000e+00 9.08770000e-01 4.33960000e-01 2.36950000e-01 9.11370000e-02 4.34780000e-02 1.14390000e-02 4.51630000e-03 1.27020000e-03 5.42850000e-04 2.92280000e-04 1.81890000e-04 9.17700000e-05 5.70440000e-05 2.69110000e-05] K = [ 7.32390000e+04 2.39140000e+04 1.05160000e+04 3.19690000e+03 1.34610000e+03 6.81440000e+02 3.88330000e+02 1.58200000e+02 7.81560000e+01 2.13320000e+01 8.39340000e+00 2.22490000e+00 8.61130000e-01 4.11190000e-01 2.24500000e-01 8.63440000e-02 4.11900000e-02 1.08360000e-02 4.27860000e-03 1.20340000e-03 5.14280000e-04 2.76900000e-04 1.72320000e-04 8.69390000e-05 5.40400000e-05 2.54900000e-05] [N.binding] K = 0.4049 L2 = 0.0115 L3 = 0.0115 L1 = 0.0231 [Kr] JL1 = 1.11037811746 JL3 = 4.38818565401 JL2 = 1.41986225081 energy = [ 1.00000000e+00 1.50000000e+00 1.67170000e+00 1.68510000e+00 1.72670000e+00 1.74050000e+00 1.90050000e+00 1.91570000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.42660000e+01 1.43800000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 5.61720000e+04 2.52630000e+04 2.00030000e+04 1.96560000e+04 1.86270000e+04 1.83000000e+04 1.50190000e+04 1.47480000e+04 1.33630000e+04 4.99490000e+03 2.35170000e+03 1.27470000e+03 7.59870000e+02 3.26190000e+02 1.65320000e+02 5.38580000e+01 5.24920000e+01 4.58010000e+01 1.78150000e+01 4.52990000e+00 1.67740000e+00 7.68950000e-01 4.04930000e-01 1.46740000e-01 6.68420000e-02 1.63170000e-02 6.13500000e-03 1.63180000e-03 6.72350000e-04 3.50660000e-04 2.11490000e-04 1.00620000e-04 5.91470000e-05 2.50060000e-05] M = [ 3.75750000e+05 1.42080000e+05 1.08770000e+05 1.06640000e+05 1.00380000e+05 9.84070000e+04 7.90020000e+04 7.74370000e+04 6.94950000e+04 2.45910000e+04 1.15420000e+04 6.35940000e+03 3.88670000e+03 1.77090000e+03 9.55450000e+02 3.53240000e+02 3.45380000e+02 3.06550000e+02 1.35320000e+02 4.21250000e+01 1.82150000e+01 9.45070000e+00 5.50910000e+00 2.33760000e+00 1.19780000e+00 3.54480000e-01 1.50360000e-01 4.61540000e-02 2.07110000e-02 1.14750000e-02 7.26070000e-03 3.71100000e-03 2.30560000e-03 1.06640000e-03] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.95720000e+05 3.32690000e+05 5.19480000e+05 4.12610000e+05 4.69150000e+05 4.25640000e+05 1.54390000e+05 7.30000000e+04 4.02540000e+04 2.45700000e+04 1.11500000e+04 5.99230000e+03 2.20200000e+03 2.15270000e+03 1.90950000e+03 8.39610000e+02 2.60050000e+02 1.12090000e+02 5.80250000e+01 3.37680000e+01 1.42950000e+01 7.31390000e+00 2.16060000e+00 9.15200000e-01 2.80520000e-01 1.25790000e-01 6.96740000e-02 4.40810000e-02 2.25310000e-02 1.39990000e-02 6.47670000e-03] M5 = [ 9.83130000e+04 2.72890000e+04 1.90580000e+04 1.85560000e+04 1.70980000e+04 1.66450000e+04 1.23560000e+04 1.20240000e+04 1.03720000e+04 2.45840000e+03 8.42460000e+02 3.57890000e+02 1.75020000e+02 5.50070000e+01 2.18890000e+01 4.86040000e+00 4.69680000e+00 3.91740000e+00 1.12500000e+00 1.88980000e-01 5.25400000e-02 1.92640000e-02 8.53230000e-03 2.37270000e-03 8.89240000e-04 1.56230000e-04 4.77800000e-05 9.95330000e-06 3.57410000e-06 1.72680000e-06 1.00520000e-06 4.51150000e-07 2.63210000e-07 1.09070000e-07] M4 = [ 6.73070000e+04 1.87730000e+04 1.31290000e+04 1.27840000e+04 1.17830000e+04 1.14730000e+04 8.52610000e+03 8.29770000e+03 7.16200000e+03 1.70760000e+03 5.87940000e+02 2.50770000e+02 1.23070000e+02 3.89240000e+01 1.55770000e+01 3.49550000e+00 3.37870000e+00 2.82190000e+00 8.18570000e-01 1.39800000e-01 3.94000000e-02 1.47220000e-02 6.58800000e-03 1.86600000e-03 7.09570000e-04 1.27060000e-04 3.90940000e-05 8.04070000e-06 2.82060000e-06 1.30150000e-06 7.15440000e-07 2.99410000e-07 1.61610000e-07 6.32540000e-08] L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.88700000e+05 1.41400000e+05 1.38710000e+05 1.24370000e+05 4.22480000e+04 1.87680000e+04 9.76660000e+03 5.64720000e+03 2.32150000e+03 1.14310000e+03 3.58510000e+02 3.49150000e+02 3.03470000e+02 1.15330000e+02 2.85790000e+01 1.04310000e+01 4.73890000e+00 2.48030000e+00 8.91750000e-01 4.04340000e-01 9.77910000e-02 3.66240000e-02 9.69930000e-03 3.98500000e-03 2.07430000e-03 1.25450000e-03 5.95770000e-04 3.50820000e-04 1.48180000e-04] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.95720000e+05 3.32690000e+05 3.30790000e+05 2.71200000e+05 2.65630000e+05 2.36980000e+05 7.90660000e+04 3.47100000e+04 1.78910000e+04 1.02630000e+04 4.16640000e+03 2.02990000e+03 6.25200000e+02 6.08620000e+02 5.27790000e+02 1.97280000e+02 4.75870000e+01 1.69900000e+01 7.57280000e+00 3.89710000e+00 1.36090000e+00 6.02150000e-01 1.38990000e-01 5.04140000e-02 1.28980000e-02 5.24800000e-03 2.74390000e-03 1.66860000e-03 8.17820000e-04 4.95410000e-04 2.23380000e-04] M3 = [ 1.10580000e+05 4.87550000e+04 3.84190000e+04 3.77400000e+04 3.57260000e+04 3.50880000e+04 2.86870000e+04 2.81620000e+04 2.54710000e+04 9.36280000e+03 4.35650000e+03 2.33940000e+03 1.38370000e+03 5.86360000e+02 2.94040000e+02 9.40430000e+01 9.16170000e+01 7.97510000e+01 3.05000000e+01 7.54640000e+00 2.73280000e+00 1.22910000e+00 6.36490000e-01 2.24090000e-01 9.95200000e-02 2.31380000e-02 8.42400000e-03 2.16330000e-03 8.81430000e-04 4.60860000e-04 2.81140000e-04 1.37740000e-04 8.35820000e-05 3.75890000e-05] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 6.47980000e+04 6.42830000e+04 3.30710000e+04 1.95220000e+04 1.25960000e+04 8.65950000e+03 4.66260000e+03 2.81930000e+03 1.21830000e+03 1.19500000e+03 1.07830000e+03 5.27000000e+02 1.83890000e+02 8.46670000e+01 4.57130000e+01 2.73910000e+01 1.20430000e+01 6.30740000e+00 1.92380000e+00 8.28160000e-01 2.57920000e-01 1.16560000e-01 6.48560000e-02 4.11580000e-02 2.11170000e-02 1.31520000e-02 6.10520000e-03] JK = 6.91147540984 M1 = [ 4.33770000e+04 2.19970000e+04 1.81640000e+04 1.79080000e+04 1.71440000e+04 1.69000000e+04 1.44140000e+04 1.42050000e+04 1.31270000e+04 6.06780000e+03 3.40320000e+03 2.13670000e+03 1.44510000e+03 7.64460000e+02 4.58630000e+02 1.96980000e+02 1.93190000e+02 1.74260000e+02 8.50670000e+01 2.97190000e+01 1.37130000e+01 7.41860000e+00 4.45250000e+00 1.96250000e+00 1.02980000e+00 3.14740000e-01 1.35710000e-01 4.23410000e-02 1.91510000e-02 1.06610000e-02 6.76630000e-03 3.47190000e-03 2.16240000e-03 1.00360000e-03] all other = [ 2.05490000e+04 9.23100000e+03 7.35460000e+03 7.23140000e+03 6.86590000e+03 6.75020000e+03 5.58770000e+03 5.49180000e+03 4.99890000e+03 1.99190000e+03 1.00130000e+03 5.77220000e+02 3.64100000e+02 1.73710000e+02 9.66020000e+01 3.72660000e+01 3.64670000e+01 3.25080000e+01 1.47400000e+01 4.73040000e+00 2.08120000e+00 1.09200000e+00 6.41590000e-01 2.75070000e-01 1.41880000e-01 4.23930000e-02 1.80650000e-02 5.57090000e-03 2.50550000e-03 1.39010000e-03 8.80370000e-04 4.50540000e-04 2.80190000e-04 1.29890000e-04] total = [ 3.96300000e+05 1.51310000e+05 1.16130000e+05 5.09600000e+05 4.39930000e+05 6.24640000e+05 4.97200000e+05 5.52080000e+05 5.00130000e+05 1.80970000e+05 8.55430000e+04 4.71910000e+04 2.88210000e+04 1.30950000e+04 7.04430000e+03 2.59250000e+03 1.79180000e+04 1.60760000e+04 7.59860000e+03 2.50240000e+03 1.11170000e+03 5.85420000e+02 3.44300000e+02 1.47490000e+02 7.59300000e+01 2.25760000e+01 9.58500000e+00 2.94310000e+00 1.32120000e+00 7.32640000e-01 4.64080000e-01 2.37780000e-01 1.48070000e-01 6.87880000e-02] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.53830000e+04 1.38280000e+04 6.60890000e+03 2.19550000e+03 9.79320000e+02 5.16850000e+02 3.04380000e+02 1.30590000e+02 6.72770000e+01 2.00190000e+01 8.50130000e+00 2.61090000e+00 1.17220000e+00 6.50100000e-01 4.11860000e-01 2.11090000e-01 1.31490000e-01 6.11150000e-02] [Kr.binding] K = 14.28 L1 = 1.9024 M5 = 0.0939 M4 = 0.0953 M1 = 0.2782 L3 = 1.6733 M3 = 0.2069 M2 = 0.2152 L2 = 1.7284 [Si] energy = [ 1.00000000e+00 1.50000000e+00 1.82670000e+00 1.84130000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 2.20220000e+02 6.29360000e+01 3.34080000e+01 3.25550000e+01 2.48580000e+01 6.34030000e+00 2.32220000e+00 1.04690000e+00 5.39960000e-01 1.86320000e-01 8.03770000e-02 1.69120000e-02 5.49200000e-03 1.10870000e-03 3.54780000e-04 1.46700000e-04 7.14070000e-05 2.30980000e-05 9.71460000e-06 2.08120000e-06 7.24250000e-07 1.75570000e-07 6.85160000e-08 3.44530000e-08 2.02940000e-08 9.31130000e-09 5.37430000e-09 2.21890000e-09] M = [ 3.30100000e+03 1.26540000e+03 7.82540000e+02 7.67310000e+02 6.25450000e+02 2.22980000e+02 1.04430000e+02 5.71620000e+01 3.46230000e+01 1.54150000e+01 8.12880000e+00 2.46960000e+00 1.03890000e+00 2.99070000e-01 1.21800000e-01 6.02560000e-02 3.37770000e-02 1.34830000e-02 6.59840000e-03 1.80590000e-03 7.28110000e-04 2.10040000e-04 9.09830000e-05 4.93700000e-05 3.08660000e-05 1.56330000e-05 9.72600000e-06 4.58670000e-06] L = [ 6.98000000e+04 2.36010000e+04 1.37990000e+04 1.35010000e+04 1.07570000e+04 3.47830000e+03 1.53940000e+03 8.11690000e+02 4.78670000e+02 2.06020000e+02 1.06210000e+02 3.12510000e+01 1.29260000e+01 3.65680000e+00 1.47590000e+00 7.26120000e-01 4.05490000e-01 1.61170000e-01 7.86600000e-02 2.14520000e-02 8.63440000e-03 2.48710000e-03 1.07650000e-03 5.83900000e-04 3.64860000e-04 1.84640000e-04 1.14750000e-04 5.38590000e-05] L2 = [ 1.31490000e+04 3.65990000e+03 1.92080000e+03 1.87070000e+03 1.42070000e+03 3.56050000e+02 1.29240000e+02 5.79140000e+01 2.97500000e+01 1.02110000e+01 4.38990000e+00 9.19070000e-01 2.97550000e-01 5.98750000e-02 1.91180000e-02 7.89280000e-03 3.85480000e-03 1.24620000e-03 5.24250000e-04 1.12470000e-04 3.91610000e-05 9.52690000e-06 3.72390000e-06 1.87490000e-06 1.10800000e-06 5.09890000e-07 2.96480000e-07 1.22020000e-07] L3 = [ 2.58490000e+04 7.17430000e+03 3.75940000e+03 3.66110000e+03 2.77860000e+03 6.93800000e+02 2.51080000e+02 1.12220000e+02 5.75140000e+01 1.96570000e+01 8.41680000e+00 1.74670000e+00 5.61300000e-01 1.11400000e-01 3.51590000e-02 1.43650000e-02 6.91160000e-03 2.19520000e-03 9.08790000e-04 1.89110000e-04 6.46330000e-05 1.55000000e-05 6.11730000e-06 3.15640000e-06 1.90470000e-06 9.34490000e-07 5.65660000e-07 2.58960000e-07] M3 = [ 4.32960000e+02 1.23380000e+02 6.53860000e+01 6.37110000e+01 4.86160000e+01 1.23260000e+01 4.50130000e+00 2.02350000e+00 1.04110000e+00 3.57690000e-01 1.53700000e-01 3.20630000e-02 1.03310000e-02 2.05610000e-03 6.49950000e-04 2.65740000e-04 1.28100000e-04 4.07050000e-05 1.68570000e-05 3.51260000e-06 1.20100000e-06 2.88650000e-07 1.14020000e-07 5.88620000e-08 3.56920000e-08 1.75690000e-08 1.07990000e-08 5.09730000e-09] L1 = [ 3.08010000e+04 1.27660000e+04 8.11890000e+03 7.96900000e+03 6.55750000e+03 2.42850000e+03 1.15910000e+03 6.41550000e+02 3.91410000e+02 1.76150000e+02 9.34080000e+01 2.85850000e+01 1.20670000e+01 3.48550000e+00 1.42160000e+00 7.03860000e-01 3.94730000e-01 1.57730000e-01 7.72270000e-02 2.11510000e-02 8.53060000e-03 2.46210000e-03 1.06670000e-03 5.78860000e-04 3.61850000e-04 1.83190000e-04 1.13880000e-04 5.34780000e-05] JK = 10.1831024551 M1 = [ 2.64780000e+03 1.07910000e+03 6.83740000e+02 6.71050000e+02 5.51970000e+02 2.04310000e+02 9.76070000e+01 5.40920000e+01 3.30420000e+01 1.48710000e+01 7.89470000e+00 2.42060000e+00 1.02310000e+00 2.95910000e-01 1.20800000e-01 5.98430000e-02 3.35780000e-02 1.34200000e-02 6.57180000e-03 1.80030000e-03 7.26180000e-04 2.09580000e-04 9.08000000e-05 4.92770000e-05 3.08100000e-05 1.56070000e-05 9.70980000e-06 4.57930000e-06] all other = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0.] total = [ 7.31010000e+04 2.48660000e+04 1.45820000e+04 1.48490000e+05 1.29420000e+05 4.55480000e+04 2.10540000e+04 1.13690000e+04 6.80220000e+03 2.97440000e+03 1.54640000e+03 4.59340000e+02 1.90750000e+02 5.41310000e+01 2.18680000e+01 1.07610000e+01 6.00990000e+00 2.38730000e+00 1.16470000e+00 3.17400000e-01 1.27690000e-01 3.67530000e-02 1.59030000e-02 8.62350000e-03 5.39350000e-03 2.73020000e-03 1.69730000e-03 7.96920000e-04] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.34220000e+05 1.18030000e+05 4.18470000e+04 1.94100000e+04 1.05000000e+04 6.28890000e+03 2.75300000e+03 1.43210000e+03 4.25620000e+02 1.76790000e+02 5.01750000e+01 2.02710000e+01 9.97490000e+00 5.57060000e+00 2.21260000e+00 1.07940000e+00 2.94140000e-01 1.18320000e-01 3.40560000e-02 1.47350000e-02 7.99020000e-03 4.99780000e-03 2.52990000e-03 1.57280000e-03 7.38480000e-04] [Si.binding] K = 1.8285 L1 = 0.1516 M1 = 0.0136 L3 = 0.108 M3 = 0.0065 M2 = 0.0066 L2 = 0.1087 [Sn] JL1 = 1.1286954724 JL3 = 3.02548349271 JL2 = 1.33063932449 energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 3.92270000e+00 3.95410000e+00 4.00000000e+00 4.15690000e+00 4.19010000e+00 4.43620000e+00 4.47170000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 2.91560000e+01 2.93900000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 1.05870000e+05 6.15930000e+04 3.76650000e+04 1.69080000e+04 9.38860000e+03 9.21980000e+03 8.98030000e+03 8.22060000e+03 8.07030000e+03 7.06490000e+03 6.93390000e+03 5.31580000e+03 3.39510000e+03 1.61760000e+03 8.85700000e+02 2.80300000e+02 1.19160000e+02 3.72330000e+01 3.63100000e+01 3.40360000e+01 1.36020000e+01 6.59490000e+00 3.62810000e+00 1.40290000e+00 6.69760000e-01 1.75980000e-01 6.93230000e-02 1.95210000e-02 8.30690000e-03 4.42540000e-03 2.71140000e-03 1.31300000e-03 7.82780000e-04 3.35720000e-04] M = [ 1.40920000e+06 5.64040000e+05 2.82520000e+05 1.02680000e+05 5.15930000e+04 5.05380000e+04 4.90480000e+04 4.43820000e+04 4.34710000e+04 3.74610000e+04 3.66890000e+04 2.73780000e+04 1.69070000e+04 7.82670000e+03 4.27280000e+03 1.40040000e+03 6.27880000e+02 2.16880000e+02 2.12020000e+02 2.00010000e+02 8.80400000e+01 4.63720000e+01 2.73900000e+01 1.18830000e+01 6.20070000e+00 1.89980000e+00 8.25520000e-01 2.61640000e-01 1.19660000e-01 6.70960000e-02 4.27670000e-02 2.19920000e-02 1.36650000e-02 6.26640000e-03] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.23870000e+05 1.26500000e+05 1.13660000e+05 1.69540000e+05 1.49420000e+05 1.75220000e+05 1.33780000e+05 8.35470000e+04 3.93400000e+04 2.16600000e+04 7.15750000e+03 3.21660000e+03 1.11240000e+03 1.08760000e+03 1.02600000e+03 4.51790000e+02 2.37980000e+02 1.40560000e+02 6.09560000e+01 3.17950000e+01 9.73220000e+00 4.22600000e+00 1.33820000e+00 6.12040000e-01 3.43180000e-01 2.18760000e-01 1.12530000e-01 6.99410000e-02 3.20980000e-02] M5 = [ 5.90690000e+05 1.96710000e+05 8.40670000e+04 2.33590000e+04 9.52240000e+03 9.26650000e+03 8.90790000e+03 7.80580000e+03 7.59420000e+03 6.23260000e+03 6.06210000e+03 4.09810000e+03 2.13480000e+03 7.38710000e+02 3.15880000e+02 6.40220000e+01 1.99080000e+01 4.14780000e+00 4.01080000e+00 3.67830000e+00 1.08580000e+00 4.18570000e-01 1.91850000e-01 5.61570000e-02 2.18140000e-02 4.04220000e-03 1.27650000e-03 2.74890000e-04 1.00860000e-04 4.88380000e-05 2.82570000e-05 1.30880000e-05 7.40340000e-06 3.16450000e-06] M4 = [ 4.04980000e+05 1.36290000e+05 5.86160000e+04 1.64450000e+04 6.74940000e+03 6.56940000e+03 6.31700000e+03 5.54130000e+03 5.39220000e+03 4.43220000e+03 4.31190000e+03 2.92400000e+03 1.53120000e+03 5.34690000e+02 2.30440000e+02 4.74690000e+01 1.49600000e+01 3.18150000e+00 3.07790000e+00 2.82610000e+00 8.49650000e-01 3.32650000e-01 1.54510000e-01 4.62210000e-02 1.82580000e-02 3.47430000e-03 1.10910000e-03 2.38840000e-04 8.56090000e-05 4.04630000e-05 2.26060000e-05 9.49520000e-06 5.28960000e-06 1.93630000e-06] L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.81860000e+04 5.26590000e+04 5.16680000e+04 3.92900000e+04 2.38940000e+04 1.06810000e+04 5.59440000e+03 1.65230000e+03 6.74620000e+02 2.01730000e+02 1.96580000e+02 1.83880000e+02 7.16010000e+01 3.41390000e+01 1.85620000e+01 7.06570000e+00 3.33970000e+00 8.65350000e-01 3.38440000e-01 9.44900000e-02 4.00430000e-02 2.12770000e-02 1.30160000e-02 6.29300000e-03 3.74240000e-03 1.60820000e-03] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.23870000e+05 1.26500000e+05 1.13660000e+05 1.11350000e+05 9.67610000e+04 9.48530000e+04 7.05250000e+04 4.21770000e+04 1.84200000e+04 9.46660000e+03 2.70010000e+03 1.07370000e+03 3.09650000e+02 3.01500000e+02 2.81440000e+02 1.06250000e+02 4.93670000e+01 2.62420000e+01 9.61640000e+00 4.40460000e+00 1.07500000e+00 4.03270000e-01 1.07110000e-01 4.43670000e-02 2.33970000e-02 1.43250000e-02 7.01850000e-03 4.23330000e-03 1.88320000e-03] M3 = [ 2.31110000e+05 1.25560000e+05 7.41860000e+04 3.19900000e+04 1.73540000e+04 1.70300000e+04 1.65710000e+04 1.51190000e+04 1.48330000e+04 1.29270000e+04 1.26800000e+04 9.63070000e+03 6.06220000e+03 2.82270000e+03 1.51770000e+03 4.64100000e+02 1.92230000e+02 5.78780000e+01 5.63980000e+01 5.27530000e+01 2.04310000e+01 9.64900000e+00 5.18850000e+00 1.93050000e+00 8.92890000e-01 2.20950000e-01 8.34840000e-02 2.23030000e-02 9.26820000e-03 4.89420000e-03 2.99910000e-03 1.47190000e-03 8.89580000e-04 3.95880000e-04] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.86960000e+04 2.39690000e+04 1.74760000e+04 1.02390000e+04 6.59910000e+03 2.80510000e+03 1.46830000e+03 6.01050000e+02 5.89500000e+02 5.60710000e+02 2.73930000e+02 1.54470000e+02 9.57520000e+01 4.42740000e+01 2.40500000e+01 7.79180000e+00 3.48430000e+00 1.13660000e+00 5.27630000e-01 2.98500000e-01 1.91420000e-01 9.92150000e-02 6.19660000e-02 2.86060000e-02] JK = 6.05429403202 M1 = [ 7.65010000e+04 4.38910000e+04 2.79830000e+04 1.39820000e+04 8.57820000e+03 8.45180000e+03 8.27170000e+03 7.69540000e+03 7.58050000e+03 6.80360000e+03 6.70120000e+03 5.40980000e+03 3.78390000e+03 2.11300000e+03 1.32310000e+03 5.44460000e+02 2.81630000e+02 1.14440000e+02 1.12220000e+02 1.06720000e+02 5.20710000e+01 2.93770000e+01 1.82270000e+01 8.44680000e+00 4.59800000e+00 1.49540000e+00 6.70330000e-01 2.19310000e-01 1.01890000e-01 5.76870000e-02 3.70050000e-02 1.91850000e-02 1.19800000e-02 5.52970000e-03] all other = [ 1.97250000e+05 8.42330000e+04 4.43100000e+04 1.71760000e+04 8.95580000e+03 8.78160000e+03 8.53520000e+03 7.76120000e+03 7.60940000e+03 6.60350000e+03 6.47360000e+03 4.89370000e+03 3.08200000e+03 1.46820000e+03 8.17990000e+02 2.76970000e+02 1.26630000e+02 4.47310000e+01 4.37490000e+01 4.13160000e+01 1.84520000e+01 9.81190000e+00 5.83760000e+00 2.55660000e+00 1.34260000e+00 4.15120000e-01 1.81270000e-01 5.77420000e-02 2.64860000e-02 1.48740000e-02 9.49070000e-03 4.88640000e-03 3.03870000e-03 1.39520000e-03] total = [ 1.60640000e+06 6.48270000e+05 3.26830000e+05 1.19860000e+05 6.05490000e+04 1.83190000e+05 1.84080000e+05 1.65800000e+05 2.20620000e+05 1.93480000e+05 2.18380000e+05 1.66060000e+05 1.03540000e+05 4.86350000e+04 2.67510000e+04 8.83490000e+03 3.97110000e+03 1.37400000e+03 8.31860000e+03 7.96750000e+03 3.71860000e+03 2.02500000e+03 1.22480000e+03 5.46000000e+02 2.89060000e+02 8.99670000e+01 3.93250000e+01 1.25230000e+01 5.74580000e+00 3.23100000e+00 2.06510000e+00 1.06760000e+00 6.66430000e-01 3.08060000e-01] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 6.97520000e+03 6.70010000e+03 3.16030000e+03 1.73080000e+03 1.05100000e+03 4.70600000e+02 2.49720000e+02 7.79200000e+01 3.40920000e+01 1.08650000e+01 4.98760000e+00 2.80580000e+00 1.79410000e+00 9.28220000e-01 5.79790000e-01 2.68300000e-01] [Sn.binding] K = 29.1857 L1 = 4.4406 M5 = 0.4945 M4 = 0.5035 M1 = 0.8692 L3 = 3.9266 M3 = 0.7103 M2 = 0.7535 L2 = 4.161 [Sm] JL1 = 1.13144454081 JL3 = 2.72997800492 JL2 = 1.34035812512 energy = [ 1.00000000e+00 1.08450000e+00 1.09320000e+00 1.11180000e+00 1.12070000e+00 1.40630000e+00 1.41760000e+00 1.50000000e+00 1.53070000e+00 1.54300000e+00 1.69890000e+00 1.71250000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 6.70100000e+00 6.75460000e+00 7.31120000e+00 7.36980000e+00 7.69580000e+00 7.75740000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 4.68360000e+01 4.72110000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 5.5097288289 M5 = [ 0.00000000e+00 0.00000000e+00 5.16630000e+05 1.09100000e+06 1.12720000e+06 6.33120000e+05 6.20610000e+05 5.38130000e+05 5.11030000e+05 5.00700000e+05 3.93170000e+05 3.85190000e+05 2.53480000e+05 7.80350000e+04 3.18550000e+04 1.54350000e+04 8.37730000e+03 5.73860000e+03 5.58250000e+03 4.23940000e+03 4.12300000e+03 3.54240000e+03 3.44440000e+03 3.08960000e+03 1.38850000e+03 3.07390000e+02 1.01310000e+02 2.02140000e+01 6.27560000e+00 3.28200000e+00 3.17590000e+00 2.50650000e+00 1.17910000e+00 3.58320000e-01 1.42800000e-01 2.76180000e-02 8.94470000e-03 1.98370000e-03 7.33210000e-04 3.61430000e-04 2.09530000e-04 9.45640000e-05 5.50790000e-05 2.23550000e-05] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.26650000e+05 4.37510000e+05 4.29000000e+05 3.72800000e+05 3.54300000e+05 3.47250000e+05 2.73400000e+05 2.67870000e+05 1.77770000e+05 5.54970000e+04 2.28950000e+04 1.11860000e+04 6.11460000e+03 4.20760000e+03 4.09460000e+03 3.11950000e+03 3.03480000e+03 2.61250000e+03 2.54110000e+03 2.28250000e+03 1.03610000e+03 2.34130000e+02 7.84560000e+01 1.60780000e+01 5.10070000e+00 2.70180000e+00 2.61620000e+00 2.07470000e+00 9.91520000e-01 3.09200000e-01 1.25730000e-01 2.51300000e-02 8.27070000e-03 1.83840000e-03 6.70750000e-04 3.20630000e-04 1.80440000e-04 7.81590000e-05 4.22840000e-05 1.66430000e-05] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.72230000e+04 3.91180000e+04 2.13730000e+04 1.32730000e+04 8.96820000e+03 6.42590000e+03 5.22490000e+03 5.14640000e+03 4.42600000e+03 4.35900000e+03 4.01140000e+03 3.95010000e+03 3.72110000e+03 2.39460000e+03 1.03770000e+03 5.57530000e+02 2.23070000e+02 1.13180000e+02 7.72480000e+01 7.57570000e+01 6.58100000e+01 4.18360000e+01 2.01260000e+01 1.12660000e+01 3.84370000e+00 1.77800000e+00 6.05090000e-01 2.88030000e-01 1.65570000e-01 1.07210000e-01 5.61470000e-02 3.51710000e-02 1.61810000e-02] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.02760000e+05 1.86990000e+05 1.82980000e+05 1.81280000e+05 1.57940000e+05 1.55980000e+05 1.21720000e+05 5.97290000e+04 3.33320000e+04 2.04500000e+04 1.34330000e+04 1.03200000e+04 1.01230000e+04 8.34630000e+03 8.18420000e+03 7.35260000e+03 7.20790000e+03 6.67330000e+03 3.76740000e+03 1.25540000e+03 5.51010000e+02 1.63230000e+02 6.65070000e+01 4.02230000e+01 3.92070000e+01 3.25960000e+01 1.80380000e+01 7.00100000e+00 3.33680000e+00 8.66810000e-01 3.37190000e-01 9.31560000e-02 3.93420000e-02 2.09210000e-02 1.28660000e-02 6.31280000e-03 3.80220000e-03 1.67350000e-03] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 7.69620000e+04 6.94070000e+04 6.88030000e+04 5.59530000e+04 2.98990000e+04 1.75140000e+04 1.11100000e+04 7.48600000e+03 5.83960000e+03 5.73420000e+03 4.77460000e+03 4.68650000e+03 4.23420000e+03 4.15550000e+03 3.86350000e+03 2.24360000e+03 7.86790000e+02 3.58350000e+02 1.12150000e+02 4.76340000e+01 2.95050000e+01 2.87950000e+01 2.41550000e+01 1.37610000e+01 5.60550000e+00 2.77890000e+00 7.77230000e-01 3.18400000e-01 9.38580000e-02 4.10320000e-02 2.22600000e-02 1.38290000e-02 6.81940000e-03 4.10290000e-03 1.78480000e-03] total = [ 5.23560000e+05 4.50470000e+05 9.60390000e+05 1.52090000e+06 1.87720000e+06 1.34170000e+06 1.51910000e+06 1.33550000e+06 1.27620000e+06 1.33030000e+06 1.07710000e+06 1.10520000e+06 7.76950000e+05 2.96080000e+05 1.44950000e+05 8.23090000e+04 5.14870000e+04 3.86450000e+04 1.05500000e+05 8.61710000e+04 1.15500000e+05 1.03770000e+05 1.17410000e+05 1.08840000e+05 6.15420000e+04 2.09830000e+04 9.63270000e+03 3.15280000e+03 1.41200000e+03 9.06070000e+02 4.99220000e+03 4.29690000e+03 2.65670000e+03 1.22410000e+03 6.63580000e+02 2.14490000e+02 9.60090000e+01 3.15130000e+01 1.47340000e+01 8.38950000e+00 5.40670000e+00 2.81990000e+00 1.76520000e+00 8.13560000e-01] JM2 = 1.04239147469 JM3 = 1.13222031751 K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.10630000e+03 3.54340000e+03 2.20690000e+03 1.02560000e+03 5.58630000e+02 1.81520000e+02 8.14230000e+01 2.67750000e+01 1.25330000e+01 7.14210000e+00 4.60640000e+00 2.40580000e+00 1.50760000e+00 6.96020000e-01] JM1 = 1.02608857116 M = [ 0.00000000e+00 0.00000000e+00 5.16630000e+05 1.09100000e+06 1.45380000e+06 1.07060000e+06 1.25240000e+06 1.09790000e+06 1.04830000e+06 1.10620000e+06 8.93910000e+05 9.25060000e+05 6.48050000e+05 2.44530000e+05 1.18870000e+05 6.71490000e+04 4.18360000e+04 3.13300000e+04 3.06800000e+04 2.49060000e+04 2.43880000e+04 2.17530000e+04 2.12990000e+04 1.96300000e+04 1.08300000e+04 3.62140000e+03 1.64670000e+03 5.34740000e+02 2.38700000e+02 1.52960000e+02 1.49550000e+02 1.27140000e+02 7.58060000e+01 3.34000000e+01 1.76500000e+01 5.54050000e+00 2.45080000e+00 7.95930000e-01 3.69810000e-01 2.09430000e-01 1.34290000e-01 6.94520000e-02 4.31730000e-02 1.96790000e-02] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 6.76500000e+04 5.53980000e+04 8.53590000e+04 7.68650000e+04 9.10620000e+04 8.45420000e+04 4.80870000e+04 1.64580000e+04 7.56760000e+03 2.47920000e+03 1.11060000e+03 7.12710000e+02 6.96850000e+02 5.92710000e+02 3.53810000e+02 1.56090000e+02 8.25380000e+01 2.59230000e+01 1.14670000e+01 3.72400000e+00 1.73050000e+00 9.80450000e-01 6.29000000e-01 3.25540000e-01 2.02530000e-01 9.24340000e-02] JM4 = 1.23426918272 JM5 = 2.13197327236 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.11300000e+04 2.83670000e+04 2.77220000e+04 2.55230000e+04 1.43530000e+04 4.59510000e+03 1.98260000e+03 5.82750000e+02 2.38670000e+02 1.45270000e+02 1.41650000e+02 1.18110000e+02 6.61420000e+01 2.63290000e+01 1.28610000e+01 3.52190000e+00 1.42680000e+00 4.15810000e-01 1.80780000e-01 9.77790000e-02 6.05270000e-02 2.97600000e-02 1.78690000e-02 7.78200000e-03] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 6.76500000e+04 5.53980000e+04 5.42290000e+04 4.84980000e+04 4.75170000e+04 4.38750000e+04 2.34470000e+04 7.13930000e+03 2.97170000e+03 8.26770000e+02 3.24880000e+02 1.93150000e+02 1.88120000e+02 1.55510000e+02 8.46130000e+01 3.21160000e+01 1.50910000e+01 3.84150000e+00 1.47850000e+00 4.04030000e-01 1.69720000e-01 9.01680000e-02 5.53450000e-02 2.71170000e-02 1.63420000e-02 7.15510000e-03] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.58230000e+04 1.51440000e+04 1.02870000e+04 4.72340000e+03 2.61330000e+03 1.06970000e+03 5.47080000e+02 3.74290000e+02 3.67090000e+02 3.19080000e+02 2.03060000e+02 9.76440000e+01 5.45870000e+01 1.85600000e+01 8.56190000e+00 2.90410000e+00 1.38000000e+00 7.92510000e-01 5.13130000e-01 2.68660000e-01 1.68320000e-01 7.74970000e-02] all other = [ 5.23560000e+05 4.50470000e+05 4.43760000e+05 4.29860000e+05 4.23410000e+05 2.71070000e+05 2.66720000e+05 2.37600000e+05 2.27860000e+05 2.24130000e+05 1.83180000e+05 1.80110000e+05 1.28910000e+05 5.15430000e+04 2.60830000e+04 1.51600000e+04 9.65060000e+03 7.31430000e+03 7.16870000e+03 5.86730000e+03 5.74970000e+03 5.15010000e+03 5.04650000e+03 4.66510000e+03 2.62520000e+03 9.04290000e+02 4.18470000e+02 1.38790000e+02 6.26920000e+01 4.04030000e+01 3.95130000e+01 3.36570000e+01 2.01820000e+01 8.96140000e+00 4.76010000e+00 1.50560000e+00 6.68380000e-01 2.18000000e-01 1.01510000e-01 5.75690000e-02 3.69490000e-02 1.91270000e-02 1.18970000e-02 5.42650000e-03] [Sm.binding] K = 46.8832 L1 = 7.7035 M5 = 1.0856 M4 = 1.1129 M1 = 1.7006 L3 = 6.7077 M3 = 1.4077 M2 = 1.5322 L2 = 7.3185 [V] energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 5.43420000e+00 5.47770000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 1.28700000e+04 4.51260000e+03 2.04500000e+03 6.26650000e+02 2.58510000e+02 1.27000000e+02 9.69440000e+01 9.44560000e+01 7.00830000e+01 2.68010000e+01 1.24790000e+01 2.98970000e+00 1.05620000e+00 2.37240000e-01 8.09370000e-02 3.49750000e-02 1.75980000e-02 5.96970000e-03 2.59670000e-03 5.87460000e-04 2.11300000e-04 5.33450000e-05 2.13230000e-05 1.09040000e-05 6.48610000e-06 3.02810000e-06 1.76340000e-06 7.33350000e-07] M = [ 5.56880000e+04 2.08630000e+04 1.01190000e+04 3.52540000e+03 1.63170000e+03 8.88110000e+02 7.06280000e+02 6.90920000e+02 5.37120000e+02 2.40640000e+02 1.28070000e+02 3.99590000e+01 1.72390000e+01 5.17090000e+00 2.16900000e+00 1.09850000e+00 6.27510000e-01 2.57830000e-01 1.28910000e-01 3.65710000e-02 1.50830000e-02 4.47110000e-03 1.96620000e-03 1.07620000e-03 6.76150000e-04 3.43580000e-04 2.13510000e-04 9.96340000e-05] L = [ 4.92230000e+05 1.76410000e+05 8.28650000e+04 2.77820000e+04 1.25930000e+04 6.76710000e+03 5.35950000e+03 5.24090000e+03 4.05700000e+03 1.79560000e+03 9.47620000e+02 2.92000000e+02 1.25130000e+02 3.72530000e+01 1.55770000e+01 7.86840000e+00 4.48670000e+00 1.83910000e+00 9.18080000e-01 2.59890000e-01 1.07050000e-01 3.17120000e-02 1.39390000e-02 7.62840000e-03 4.79180000e-03 2.43480000e-03 1.51280000e-03 7.05790000e-04] M5 = [ 1.08030000e+03 2.42640000e+02 8.01260000e+01 1.56160000e+01 4.67240000e+00 1.78980000e+00 1.25100000e+00 1.20880000e+00 8.15940000e-01 2.32600000e-01 8.61130000e-02 1.35360000e-02 3.57690000e-03 5.40190000e-04 1.40210000e-04 4.92370000e-05 2.09870000e-05 5.50790000e-06 1.98500000e-06 3.26260000e-07 9.65070000e-08 1.93730000e-08 6.91820000e-09 3.30500000e-09 1.93100000e-09 8.81270000e-10 5.16440000e-10 2.31940000e-10] M4 = [ 7.32720000e+02 1.64890000e+02 5.45490000e+01 1.06720000e+01 3.20060000e+00 1.23600000e+00 8.64880000e-01 8.35760000e-01 5.64730000e-01 1.61640000e-01 6.00830000e-02 9.52550000e-03 2.53640000e-03 3.88150000e-04 1.01860000e-04 3.60990000e-05 1.55130000e-05 4.13470000e-06 1.50270000e-06 2.51500000e-07 7.43030000e-08 1.46590000e-08 4.96590000e-09 2.27860000e-09 1.23460000e-09 5.08700000e-10 2.74300000e-10 1.11240000e-10] L2 = [ 1.34010000e+05 4.37570000e+04 1.89040000e+04 5.47680000e+03 2.19100000e+03 1.05620000e+03 8.01160000e+02 7.80150000e+02 5.75100000e+02 2.15790000e+02 9.91650000e+01 2.33270000e+01 8.16690000e+00 1.81350000e+00 6.15170000e-01 2.64830000e-01 1.32920000e-01 4.49300000e-02 1.95000000e-02 4.39620000e-03 1.57720000e-03 3.99220000e-04 1.59510000e-04 8.16350000e-05 4.86320000e-05 2.26520000e-05 1.32350000e-05 5.50030000e-06] L3 = [ 2.61380000e+05 8.47240000e+04 3.64280000e+04 1.04780000e+04 4.16850000e+03 2.00040000e+03 1.51460000e+03 1.47460000e+03 1.08480000e+03 4.04240000e+02 1.84650000e+02 4.28820000e+01 1.48510000e+01 3.23750000e+00 1.08100000e+00 4.58850000e-01 2.27390000e-01 7.51680000e-02 3.20140000e-02 6.96630000e-03 2.44370000e-03 6.02340000e-04 2.40790000e-04 1.24620000e-04 7.55920000e-05 3.70830000e-05 2.24870000e-05 1.02680000e-05] M3 = [ 2.51060000e+04 8.74460000e+03 3.94380000e+03 1.19980000e+03 4.92230000e+02 2.40690000e+02 1.83380000e+02 1.78640000e+02 1.32270000e+02 5.02250000e+01 2.32430000e+01 5.49790000e+00 1.92230000e+00 4.22720000e-01 1.41950000e-01 6.04690000e-02 3.00450000e-02 9.96260000e-03 4.25180000e-03 9.27750000e-04 3.25770000e-04 8.05190000e-05 3.22050000e-05 1.66840000e-05 1.01450000e-05 4.95900000e-06 3.01830000e-06 1.37450000e-06] L1 = [ 9.68430000e+04 4.79310000e+04 2.75340000e+04 1.18270000e+04 6.23310000e+03 3.71050000e+03 3.04380000e+03 2.98620000e+03 2.39710000e+03 1.17560000e+03 6.63800000e+02 2.25790000e+02 1.02110000e+02 3.22020000e+01 1.38800000e+01 7.14480000e+00 4.12640000e+00 1.71900000e+00 8.66570000e-01 2.48530000e-01 1.03030000e-01 3.07100000e-02 1.35390000e-02 7.42210000e-03 4.66760000e-03 2.37500000e-03 1.47710000e-03 6.90020000e-04] JK = 8.07564872224 M1 = [ 1.59000000e+04 7.19870000e+03 3.99520000e+03 1.67260000e+03 8.73140000e+02 5.17390000e+02 4.23840000e+02 4.15770000e+02 3.33390000e+02 1.63220000e+02 9.22030000e+01 3.14490000e+01 1.42550000e+01 4.51000000e+00 1.94590000e+00 1.00300000e+00 5.79830000e-01 2.41890000e-01 1.22050000e-01 3.50550000e-02 1.45450000e-02 4.33720000e-03 1.91260000e-03 1.04870000e-03 6.59510000e-04 3.35590000e-04 2.08730000e-04 9.75260000e-05] all other = [ 1.17460000e+03 5.26510000e+02 2.90910000e+02 1.21870000e+02 6.35390000e+01 3.76290000e+01 3.08200000e+01 3.02330000e+01 2.42390000e+01 1.18630000e+01 6.70130000e+00 2.28580000e+00 1.03610000e+00 3.27820000e-01 1.41600000e-01 7.29970000e-02 4.22050000e-02 1.76090000e-02 8.88590000e-03 2.55230000e-03 1.05910000e-03 3.15840000e-04 1.39320000e-04 7.64210000e-05 4.80940000e-05 2.45250000e-05 1.53000000e-05 7.24070000e-06] total = [ 5.49090000e+05 1.97800000e+05 9.32750000e+04 3.14290000e+04 1.42880000e+04 7.69290000e+03 6.09660000e+03 4.92340000e+04 3.95090000e+04 1.86410000e+04 1.02140000e+04 3.30870000e+03 1.45050000e+03 4.40570000e+02 1.85790000e+02 9.42730000e+01 5.39000000e+01 2.21560000e+01 1.10750000e+01 3.13850000e+00 1.29310000e+00 3.82850000e-01 1.68270000e-01 9.21050000e-02 5.78750000e-02 2.94300000e-02 1.83030000e-02 8.55540000e-03] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.32720000e+04 3.48910000e+04 1.65930000e+04 9.13140000e+03 2.97440000e+03 1.30710000e+03 3.97820000e+02 1.67900000e+02 8.52330000e+01 4.87440000e+01 2.00410000e+01 1.00190000e+01 2.83950000e+00 1.16990000e+00 3.46350000e-01 1.52230000e-01 8.33240000e-02 5.23590000e-02 2.66270000e-02 1.65620000e-02 7.74270000e-03] [V.binding] K = 5.4397 L1 = 0.6238 M5 = 0.0095 M4 = 0.0096 M1 = 0.0764 L3 = 0.5245 M3 = 0.0498 M2 = 0.0507 L2 = 0.5319 [Sc] energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 4.46140000e+00 4.49710000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 8.69060000e+03 2.93950000e+03 1.29740000e+03 3.82630000e+02 1.54000000e+02 1.08120000e+02 1.05350000e+02 7.44070000e+01 4.05460000e+01 1.52010000e+01 6.96650000e+00 1.62520000e+00 5.65470000e-01 1.24120000e-01 4.17400000e-02 1.78550000e-02 8.91610000e-03 2.99320000e-03 1.29250000e-03 2.89190000e-04 1.03310000e-04 2.58650000e-05 1.02840000e-05 5.24520000e-06 3.11130000e-06 1.44900000e-06 8.41850000e-07 3.48990000e-07] M = [ 3.82720000e+04 1.42100000e+04 6.84430000e+03 2.35890000e+03 1.08460000e+03 8.04720000e+02 7.87310000e+02 5.88150000e+02 3.54820000e+02 1.58280000e+02 8.38830000e+01 2.59550000e+01 1.11300000e+01 3.30480000e+00 1.37790000e+00 6.94150000e-01 3.94860000e-01 1.61220000e-01 8.02290000e-02 2.25850000e-02 9.26890000e-03 2.73120000e-03 1.19700000e-03 6.53950000e-04 4.10350000e-04 2.08350000e-04 1.29470000e-04 6.05080000e-05] L = [ 3.51500000e+05 1.23800000e+05 5.76930000e+04 1.91750000e+04 8.65640000e+03 6.38490000e+03 6.24410000e+03 4.63980000e+03 2.77480000e+03 1.22250000e+03 6.42540000e+02 1.96530000e+02 8.37420000e+01 2.47090000e+01 1.02630000e+01 5.15770000e+00 2.92900000e+00 1.19320000e+00 5.92950000e-01 1.66570000e-01 6.82890000e-02 2.01120000e-02 8.81120000e-03 4.81270000e-03 3.01970000e-03 1.53290000e-03 9.52480000e-04 4.44890000e-04] M5 = [ 1.55070000e+02 3.34990000e+01 1.06940000e+01 1.99120000e+00 5.81880000e-01 3.64470000e-01 3.52200000e-01 2.23150000e-01 1.01090000e-01 2.81690000e-02 1.02010000e-02 1.56750000e-03 4.09800000e-04 6.07030000e-05 1.55460000e-05 5.40370000e-06 2.28570000e-06 5.93610000e-07 2.12290000e-07 3.47230000e-08 1.02160000e-08 2.05000000e-09 7.23510000e-10 3.48830000e-10 2.03660000e-10 9.34700000e-11 5.50130000e-11 2.75120000e-11] M4 = [ 1.04910000e+02 2.27070000e+01 7.26420000e+00 1.35550000e+00 3.99480000e-01 2.50520000e-01 2.42100000e-01 1.53590000e-01 6.97120000e-02 1.95020000e-02 7.08790000e-03 1.09830000e-03 2.89040000e-04 4.33750000e-05 1.12270000e-05 3.93610000e-06 1.67690000e-06 4.42170000e-07 1.59610000e-07 2.64060000e-08 7.76230000e-09 1.51810000e-09 5.15870000e-10 2.34610000e-10 1.27750000e-10 5.29230000e-11 2.92280000e-11 1.30390000e-11] L2 = [ 9.12660000e+04 2.88340000e+04 1.22070000e+04 3.43860000e+03 1.35160000e+03 9.41630000e+02 9.16950000e+02 6.42990000e+02 3.46230000e+02 1.27610000e+02 5.78580000e+01 1.33120000e+01 4.59200000e+00 9.99280000e-01 3.34480000e-01 1.42620000e-01 7.10800000e-02 2.37900000e-02 1.02530000e-02 2.28610000e-03 8.18790000e-04 2.05000000e-04 8.15460000e-05 4.15350000e-05 2.46490000e-05 1.15260000e-05 6.67590000e-06 2.78490000e-06] L3 = [ 1.78190000e+05 5.59640000e+04 2.35950000e+04 6.60510000e+03 2.58380000e+03 1.79660000e+03 1.74920000e+03 1.22420000e+03 6.56820000e+02 2.40560000e+02 1.08470000e+02 2.46640000e+01 8.42270000e+00 1.80130000e+00 5.93930000e-01 2.49900000e-01 1.23040000e-01 4.03150000e-02 1.70680000e-02 3.68080000e-03 1.28220000e-03 3.14410000e-04 1.25230000e-04 6.48540000e-05 3.94150000e-05 1.91890000e-05 1.17200000e-05 5.30420000e-06] M3 = [ 1.69840000e+04 5.71270000e+03 2.51110000e+03 7.35970000e+02 2.94740000e+02 2.06530000e+02 2.01190000e+02 1.41810000e+02 7.69940000e+01 2.86800000e+01 1.30710000e+01 3.01460000e+00 1.03580000e+00 2.23430000e-01 7.40190000e-02 3.12330000e-02 1.54110000e-02 5.06130000e-03 2.14670000e-03 4.63810000e-04 1.61940000e-04 3.97770000e-05 1.58700000e-05 8.20750000e-06 4.98640000e-06 2.43770000e-06 1.48440000e-06 6.77900000e-07] L1 = [ 8.20510000e+04 3.90020000e+04 2.18910000e+04 9.13170000e+03 4.72110000e+03 3.64670000e+03 3.57790000e+03 2.77260000e+03 1.77180000e+03 8.54310000e+02 4.76220000e+02 1.58550000e+02 7.07270000e+01 2.19080000e+01 9.33450000e+00 4.76520000e+00 2.73490000e+00 1.12910000e+00 5.65630000e-01 1.60610000e-01 6.61880000e-02 1.95930000e-02 8.60440000e-03 4.70630000e-03 2.95560000e-03 1.50220000e-03 9.34080000e-04 4.36810000e-04] JK = 8.37855788789 M1 = [ 1.23380000e+04 5.50190000e+03 3.01790000e+03 1.23690000e+03 6.34920000e+02 4.89460000e+02 4.80170000e+02 3.71550000e+02 2.37110000e+02 1.14350000e+02 6.38280000e+01 2.13130000e+01 9.52830000e+00 2.95720000e+00 1.26210000e+00 6.45050000e-01 3.70530000e-01 1.53160000e-01 7.67900000e-02 2.18320000e-02 9.00360000e-03 2.66560000e-03 1.17090000e-03 6.40500000e-04 4.02250000e-04 2.04460000e-04 1.27140000e-04 5.94810000e-05] all other = [ 9.48920000e+02 4.20090000e+02 2.29720000e+02 9.42870000e+01 4.83530000e+01 3.72670000e+01 3.65600000e+01 2.82840000e+01 1.80460000e+01 8.70210000e+00 4.85740000e+00 1.62200000e+00 7.25150000e-01 2.25300000e-01 9.61750000e-02 4.91600000e-02 2.82410000e-02 1.16750000e-02 5.85360000e-03 1.66430000e-03 6.86370000e-04 2.03230000e-04 8.93000000e-05 4.88780000e-05 3.07260000e-05 1.56530000e-05 9.76920000e-06 4.63960000e-06] total = [ 3.90720000e+05 1.38430000e+05 6.47670000e+04 2.16290000e+04 9.78940000e+03 7.22690000e+03 6.05510000e+04 4.69360000e+04 2.92500000e+04 1.35590000e+04 7.35660000e+03 2.33980000e+03 1.01430000e+03 3.03780000e+02 1.26970000e+02 6.40220000e+01 3.64260000e+01 1.48680000e+01 7.39500000e+00 2.07870000e+00 8.52110000e-01 2.50770000e-01 1.09850000e-01 6.00040000e-02 3.76560000e-02 1.91280000e-02 1.18950000e-02 5.56540000e-03] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.34830000e+04 4.16800000e+04 2.61020000e+04 1.21700000e+04 6.62530000e+03 2.11570000e+03 9.18720000e+02 2.75540000e+02 1.15240000e+02 5.81210000e+01 3.30740000e+01 1.35020000e+01 6.71590000e+00 1.88780000e+00 7.73860000e-01 2.27730000e-01 9.97510000e-02 5.44880000e-02 3.41960000e-02 1.73710000e-02 1.08030000e-02 5.05530000e-03] [Sc.binding] K = 4.4659 L1 = 0.4943 M5 = 0.007 M4 = 0.0071 M1 = 0.0609 L3 = 0.4088 M3 = 0.0391 M2 = 0.0396 L2 = 0.4137 [Sb] JL1 = 1.1298630137 JL3 = 2.97742756865 JL2 = 1.32935973851 energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 4.12620000e+00 4.15930000e+00 4.38180000e+00 4.41690000e+00 4.66940000e+00 4.70680000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 3.04500000e+01 3.06940000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 1.07720000e+05 6.40060000e+04 3.95410000e+04 1.79730000e+04 9.61710000e+03 8.96320000e+03 8.80190000e+03 7.80950000e+03 7.66660000e+03 6.73300000e+03 6.60780000e+03 5.72690000e+03 3.67440000e+03 1.76260000e+03 9.70060000e+02 3.09770000e+02 1.32460000e+02 3.81350000e+01 3.63950000e+01 3.54950000e+01 1.53200000e+01 7.45610000e+00 4.11400000e+00 1.59780000e+00 7.65230000e-01 2.02140000e-01 7.98880000e-02 2.25500000e-02 9.63410000e-03 5.13920000e-03 3.15150000e-03 1.52910000e-03 9.12160000e-04 3.91910000e-04] M = [ 1.51260000e+06 6.09350000e+05 3.05840000e+05 1.11450000e+05 5.33040000e+04 4.91800000e+04 4.81730000e+04 4.20640000e+04 4.11990000e+04 3.56300000e+04 3.48940000e+04 2.97830000e+04 1.84050000e+04 8.52980000e+03 4.66160000e+03 1.53040000e+03 6.86920000e+02 2.19170000e+02 2.10100000e+02 2.05400000e+02 9.65880000e+01 5.09220000e+01 3.01020000e+01 1.30770000e+01 6.83140000e+00 2.09760000e+00 9.12890000e-01 2.89900000e-01 1.32780000e-01 7.45160000e-02 4.75220000e-02 2.44480000e-02 1.51910000e-02 6.96260000e-03] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.16120000e+05 1.06260000e+05 1.58660000e+05 1.40300000e+05 1.64860000e+05 1.42550000e+05 8.98350000e+04 4.23100000e+04 2.33430000e+04 7.73560000e+03 3.48380000e+03 1.11340000e+03 1.06730000e+03 1.04350000e+03 4.90950000e+02 2.58900000e+02 1.53050000e+02 6.64730000e+01 3.47150000e+01 1.06500000e+01 4.63200000e+00 1.47000000e+00 6.73220000e-01 3.77810000e-01 2.40960000e-01 1.24010000e-01 7.70960000e-02 3.53570000e-02] M5 = [ 6.46020000e+05 2.17920000e+05 9.36950000e+04 2.62760000e+04 1.00860000e+04 9.07090000e+03 8.82670000e+03 7.37960000e+03 7.17940000e+03 5.92080000e+03 5.75860000e+03 4.66130000e+03 2.43750000e+03 8.48670000e+02 3.64650000e+02 7.44800000e+01 2.32790000e+01 4.33130000e+00 4.06850000e+00 3.93440000e+00 1.28410000e+00 4.96430000e-01 2.28020000e-01 6.69570000e-02 2.60580000e-02 4.84930000e-03 1.53470000e-03 3.30590000e-04 1.21080000e-04 5.89270000e-05 3.44080000e-05 1.56800000e-05 8.92690000e-06 3.72190000e-06] M4 = [ 4.42980000e+05 1.50990000e+05 6.53820000e+04 1.85170000e+04 7.16110000e+03 6.44600000e+03 6.27380000e+03 5.25250000e+03 5.11110000e+03 4.22190000e+03 4.10720000e+03 3.33010000e+03 1.75090000e+03 6.15330000e+02 2.66510000e+02 5.53440000e+01 1.75350000e+01 3.33710000e+00 3.13750000e+00 3.03560000e+00 1.00790000e+00 3.95830000e-01 1.84290000e-01 5.53250000e-02 2.19020000e-02 4.18770000e-03 1.34050000e-03 2.89800000e-04 1.04200000e-04 4.90900000e-05 2.73690000e-05 1.16110000e-05 6.36980000e-06 2.54480000e-06] L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.45840000e+04 4.95930000e+04 4.86280000e+04 4.20770000e+04 2.59650000e+04 1.16190000e+04 6.11760000e+03 1.82090000e+03 7.46950000e+02 2.04920000e+02 1.95270000e+02 1.90290000e+02 8.01370000e+01 3.83320000e+01 2.08930000e+01 7.98390000e+00 3.78420000e+00 9.85200000e-01 3.86470000e-01 1.08290000e-01 4.59920000e-02 2.44730000e-02 1.49870000e-02 7.25580000e-03 4.31860000e-03 1.85750000e-03] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.16120000e+05 1.06260000e+05 1.04080000e+05 9.07050000e+04 8.89160000e+04 7.60150000e+04 4.57000000e+04 2.00100000e+04 1.03200000e+04 2.96150000e+03 1.18300000e+03 3.11660000e+02 2.96520000e+02 2.88720000e+02 1.18090000e+02 5.50080000e+01 2.93030000e+01 1.07710000e+01 4.94450000e+00 1.21130000e+00 4.55420000e-01 1.21260000e-01 5.02930000e-02 2.65380000e-02 1.62530000e-02 7.96260000e-03 4.81770000e-03 2.13520000e-03] M3 = [ 2.37890000e+05 1.31260000e+05 7.81940000e+04 3.40720000e+04 1.77680000e+04 1.65140000e+04 1.62050000e+04 1.43090000e+04 1.40370000e+04 1.22720000e+04 1.20360000e+04 1.03770000e+04 6.55630000e+03 3.07070000e+03 1.65870000e+03 5.11160000e+02 2.12790000e+02 5.87950000e+01 5.60230000e+01 5.45920000e+01 2.28740000e+01 1.08380000e+01 5.84210000e+00 2.18170000e+00 1.01160000e+00 2.51400000e-01 9.52290000e-02 2.55090000e-02 1.06140000e-02 5.60990000e-03 3.44010000e-03 1.68740000e-03 1.01940000e-03 4.53050000e-04] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.73130000e+04 2.44560000e+04 1.81700000e+04 1.06810000e+04 6.90560000e+03 2.95320000e+03 1.55390000e+03 5.96770000e+02 5.75540000e+02 5.64470000e+02 2.92720000e+02 1.65560000e+02 1.02850000e+02 4.77180000e+01 2.59860000e+01 8.45350000e+00 3.79010000e+00 1.24050000e+00 5.76940000e-01 3.26800000e-01 2.09720000e-01 1.08790000e-01 6.79600000e-02 3.13650000e-02] JK = 6.00378100423 M1 = [ 7.79900000e+04 4.51800000e+04 2.90280000e+04 1.46140000e+04 8.67250000e+03 8.18590000e+03 8.06520000e+03 7.31380000e+03 7.20450000e+03 6.48230000e+03 6.38450000e+03 5.68740000e+03 3.98610000e+03 2.23260000e+03 1.40170000e+03 5.79610000e+02 3.00850000e+02 1.14570000e+02 1.10470000e+02 1.08340000e+02 5.61020000e+01 3.17360000e+01 1.97330000e+01 9.17510000e+00 5.00660000e+00 1.63500000e+00 7.34900000e-01 2.41220000e-01 1.12300000e-01 6.36580000e-02 4.08680000e-02 2.12040000e-02 1.32440000e-02 6.11130000e-03] all other = [ 2.20910000e+05 9.48570000e+04 4.99940000e+04 1.94080000e+04 9.65600000e+03 8.94340000e+03 8.76880000e+03 7.70590000e+03 7.55460000e+03 6.57650000e+03 6.44670000e+03 5.53990000e+03 3.49010000e+03 1.66290000e+03 9.26640000e+02 3.13930000e+02 1.43570000e+02 4.68650000e+01 4.49600000e+01 4.39720000e+01 2.09400000e+01 1.11440000e+01 6.63110000e+00 2.90690000e+00 1.52770000e+00 4.73220000e-01 2.06920000e-01 6.60410000e-02 3.03290000e-02 1.70470000e-02 1.08820000e-02 5.60460000e-03 3.48530000e-03 1.59910000e-03] total = [ 1.73350000e+06 7.04210000e+05 3.55830000e+05 1.30860000e+05 6.29600000e+04 5.81240000e+04 1.73060000e+05 1.56030000e+05 2.07420000e+05 1.82500000e+05 2.06200000e+05 1.77870000e+05 1.11730000e+05 5.25030000e+04 2.89310000e+04 9.57990000e+03 4.31430000e+03 1.37940000e+03 1.32240000e+03 7.93940000e+03 3.98280000e+03 2.17520000e+03 1.31880000e+03 5.89160000e+02 3.12520000e+02 9.75940000e+01 4.27440000e+01 1.36450000e+01 6.27070000e+00 3.52970000e+00 2.25760000e+00 1.16790000e+00 7.29210000e-01 3.36970000e-01] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 6.64650000e+03 3.37430000e+03 1.85420000e+03 1.12900000e+03 5.06700000e+02 2.69450000e+02 8.43730000e+01 3.69920000e+01 1.18190000e+01 5.43440000e+00 3.06030000e+00 1.95820000e+00 1.01390000e+00 6.33430000e-01 2.93050000e-01] [Sb.binding] K = 30.4807 L1 = 4.6741 M5 = 0.5377 M4 = 0.5478 M1 = 0.9292 L3 = 4.1303 M3 = 0.7616 M2 = 0.8093 L2 = 4.3862 [Se] JL1 = 1.10924485441 JL3 = 4.23803930781 JL2 = 1.39279067489 energy = [ 1.00000000e+00 1.43710000e+00 1.44860000e+00 1.47990000e+00 1.49170000e+00 1.50000000e+00 1.63990000e+00 1.65310000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.26060000e+01 1.27070000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 4.77180000e+04 2.27530000e+04 2.23620000e+04 2.13440000e+04 2.09740000e+04 2.07200000e+04 1.69800000e+04 1.66770000e+04 1.07090000e+04 3.88440000e+03 1.79500000e+03 9.60020000e+02 5.66290000e+02 2.39180000e+02 1.19740000e+02 5.72360000e+01 5.57800000e+01 3.24840000e+01 1.24660000e+01 3.11430000e+00 1.13950000e+00 5.17900000e-01 2.70890000e-01 9.73650000e-02 4.40760000e-02 1.06200000e-02 3.96560000e-03 1.04640000e-03 4.29080000e-04 2.22990000e-04 1.34280000e-04 6.36910000e-05 3.74100000e-05 1.57760000e-05] M = [ 2.92030000e+05 1.22290000e+05 1.19930000e+05 1.13810000e+05 1.11610000e+05 1.10090000e+05 8.83210000e+04 8.65900000e+04 5.37210000e+04 1.89430000e+04 8.87450000e+03 4.88420000e+03 2.98220000e+03 1.35640000e+03 7.30630000e+02 3.81910000e+02 3.73430000e+02 2.33690000e+02 1.02930000e+02 3.19240000e+01 1.37600000e+01 7.12000000e+00 4.14070000e+00 1.75010000e+00 8.94160000e-01 2.63040000e-01 1.11140000e-01 3.39460000e-02 1.51880000e-02 8.40040000e-03 5.30960000e-03 2.71150000e-03 1.68470000e-03 7.80230000e-04] L = [ 0.00000000e+00 0.00000000e+00 4.15980000e+05 3.91540000e+05 5.94330000e+05 5.83930000e+05 4.88650000e+05 5.53930000e+05 3.49180000e+05 1.25770000e+05 5.89480000e+04 3.23460000e+04 1.96780000e+04 8.88790000e+03 4.76270000e+03 2.47710000e+03 2.42170000e+03 1.51080000e+03 6.62250000e+02 2.04130000e+02 8.76570000e+01 4.52400000e+01 2.62610000e+01 1.10710000e+01 5.64580000e+00 1.65800000e+00 6.99550000e-01 2.13350000e-01 9.53890000e-02 5.27360000e-02 3.33330000e-02 1.70210000e-02 1.05760000e-02 4.89860000e-03] M5 = [ 6.68680000e+04 2.07560000e+04 2.02110000e+04 1.88180000e+04 1.83220000e+04 1.79840000e+04 1.33010000e+04 1.29440000e+04 6.68850000e+03 1.54210000e+03 5.19820000e+02 2.18140000e+02 1.05590000e+02 3.26340000e+01 1.28220000e+01 4.77430000e+00 4.61340000e+00 2.25220000e+00 6.40510000e-01 1.06060000e-01 2.89940000e-02 1.06180000e-02 4.67470000e-03 1.29110000e-03 4.81920000e-04 8.36530000e-05 2.53990000e-05 5.25690000e-06 1.90400000e-06 9.13050000e-07 5.25100000e-07 2.38410000e-07 1.40860000e-07 5.82390000e-08] M4 = [ 4.57510000e+04 1.42570000e+04 1.38840000e+04 1.29310000e+04 1.25910000e+04 1.23600000e+04 9.15070000e+03 8.90580000e+03 4.61280000e+03 1.06940000e+03 3.62040000e+02 1.52480000e+02 7.40530000e+01 2.30260000e+01 9.09680000e+00 3.40860000e+00 3.29440000e+00 1.61610000e+00 4.63910000e-01 7.80080000e-02 2.17700000e-02 8.06480000e-03 3.58870000e-03 1.00880000e-03 3.81120000e-04 6.76360000e-05 2.07050000e-05 4.22470000e-06 1.46750000e-06 6.81200000e-07 3.73310000e-07 1.56910000e-07 8.36170000e-08 3.19580000e-08] L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.99920000e+05 1.90720000e+05 1.67080000e+05 1.63770000e+05 9.95810000e+04 3.33710000e+04 1.46020000e+04 7.51370000e+03 4.30670000e+03 1.74750000e+03 8.52180000e+02 3.98010000e+02 3.87610000e+02 2.22560000e+02 8.36490000e+01 2.04140000e+01 7.37460000e+00 3.32520000e+00 1.73020000e+00 6.16610000e-01 2.77800000e-01 6.64850000e-02 2.47380000e-02 6.50110000e-03 2.65870000e-03 1.37980000e-03 8.33790000e-04 3.94860000e-04 2.31880000e-04 9.79250000e-05] L3 = [ 0.00000000e+00 0.00000000e+00 4.15980000e+05 3.91540000e+05 3.94410000e+05 3.93210000e+05 3.21560000e+05 3.14900000e+05 1.90030000e+05 6.26570000e+04 2.71010000e+04 1.38280000e+04 7.87080000e+03 3.15680000e+03 1.52460000e+03 7.04450000e+02 6.85780000e+02 3.90540000e+02 1.44510000e+02 3.43800000e+01 1.21620000e+01 5.38470000e+00 2.75670000e+00 9.55320000e-01 4.20380000e-01 9.61780000e-02 3.47060000e-02 8.83040000e-03 3.58380000e-03 1.86680000e-03 1.13660000e-03 5.56850000e-04 3.38530000e-04 1.51970000e-04] M3 = [ 9.34310000e+04 4.38840000e+04 4.31170000e+04 4.11190000e+04 4.03940000e+04 3.98950000e+04 3.25840000e+04 3.19920000e+04 2.03980000e+04 7.29030000e+03 3.33330000e+03 1.76780000e+03 1.03540000e+03 4.32170000e+02 2.14240000e+02 1.01290000e+02 9.86790000e+01 5.69850000e+01 2.15240000e+01 5.24030000e+00 1.87750000e+00 8.37960000e-01 4.31370000e-01 1.50360000e-01 6.64670000e-02 1.53060000e-02 5.54170000e-03 1.41430000e-03 5.74500000e-04 3.00210000e-04 1.83050000e-04 8.95750000e-05 5.44630000e-05 2.45350000e-05] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 7.52480000e+04 5.95710000e+04 2.97400000e+04 1.72460000e+04 1.10040000e+04 7.50080000e+03 3.98360000e+03 2.38590000e+03 1.37470000e+03 1.34830000e+03 8.97740000e+02 4.34100000e+02 1.49340000e+02 6.81200000e+01 3.65300000e+01 2.17740000e+01 9.49910000e+00 4.94760000e+00 1.49540000e+00 6.40110000e-01 1.98020000e-01 8.91460000e-02 4.94890000e-02 3.13620000e-02 1.60690000e-02 1.00060000e-02 4.64870000e-03] JK = 7.07592220915 M1 = [ 3.82640000e+04 2.06430000e+04 2.03550000e+04 1.96000000e+04 1.93250000e+04 1.91360000e+04 1.63060000e+04 1.60720000e+04 1.13130000e+04 5.15630000e+03 2.86440000e+03 1.78570000e+03 1.20090000e+03 6.29400000e+02 3.74730000e+02 2.15190000e+02 2.11060000e+02 1.40360000e+02 6.78380000e+01 2.33850000e+01 1.06920000e+01 5.74540000e+00 3.43010000e+00 1.50010000e+00 7.82750000e-01 2.36960000e-01 1.01580000e-01 3.14760000e-02 1.41810000e-02 7.87560000e-03 4.99140000e-03 2.55780000e-03 1.59260000e-03 7.39820000e-04] all other = [ 1.10920000e+04 5.41320000e+03 5.32520000e+03 5.09620000e+03 5.01300000e+03 4.95580000e+03 4.11580000e+03 4.04730000e+03 2.69000000e+03 1.08210000e+03 5.50260000e+02 3.21000000e+02 2.04930000e+02 9.95200000e+01 5.62840000e+01 3.07590000e+01 3.01200000e+01 1.94070000e+01 8.94450000e+00 2.92510000e+00 1.29970000e+00 6.85870000e-01 4.04430000e-01 1.74070000e-01 8.99410000e-02 2.69010000e-02 1.14570000e-02 3.52740000e-03 1.58440000e-03 8.78340000e-04 5.56040000e-04 2.84580000e-04 1.77100000e-04 8.23160000e-05] total = [ 3.03120000e+05 1.27710000e+05 5.41240000e+05 5.10450000e+05 7.10950000e+05 6.98980000e+05 5.81080000e+05 6.44560000e+05 4.05590000e+05 1.45790000e+05 6.83730000e+04 3.75510000e+04 2.28650000e+04 1.03440000e+04 5.54960000e+03 2.88980000e+03 2.04480000e+04 1.33910000e+04 6.20980000e+03 2.02410000e+03 8.92360000e+02 4.67300000e+02 2.73720000e+02 1.16570000e+02 5.97530000e+01 1.76430000e+01 7.45790000e+00 2.27770000e+00 1.01930000e+00 5.64090000e-01 3.56870000e-01 1.82630000e-01 1.13700000e-01 5.28640000e-02] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.76230000e+04 1.16270000e+04 5.43560000e+03 1.78520000e+03 7.89640000e+02 4.14250000e+02 2.42910000e+02 1.03570000e+02 5.31230000e+01 1.56950000e+01 6.63570000e+00 2.02690000e+00 9.07110000e-01 5.02070000e-01 3.17670000e-01 1.62610000e-01 1.01260000e-01 4.71030000e-02] [Se.binding] K = 12.6187 L1 = 1.6416 M5 = 0.0639 M4 = 0.0649 M1 = 0.2262 L3 = 1.4385 M3 = 0.1637 M2 = 0.1698 L2 = 1.4813 [Co] energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 7.67310000e+00 7.73450000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 2.32900000e+04 8.79960000e+03 4.17690000e+03 1.36550000e+03 5.89850000e+02 2.99790000e+02 1.69730000e+02 7.71580000e+01 7.51830000e+01 6.73500000e+01 3.22220000e+01 8.10700000e+00 2.95860000e+00 6.91240000e-01 2.42480000e-01 1.06840000e-01 5.45710000e-02 1.89070000e-02 8.34510000e-03 1.93170000e-03 7.04270000e-04 1.80710000e-04 7.28890000e-05 3.74900000e-05 2.24300000e-05 1.05210000e-05 6.14620000e-06 2.56860000e-06] M = [ 1.06670000e+05 4.02410000e+04 1.96120000e+04 6.90130000e+03 3.22370000e+03 1.76710000e+03 1.07440000e+03 5.44460000e+02 5.32510000e+02 4.84750000e+02 2.59440000e+02 8.19830000e+01 3.57360000e+01 1.08840000e+01 4.62370000e+00 2.36420000e+00 1.35950000e+00 5.65180000e-01 2.85030000e-01 8.20550000e-02 3.41600000e-02 1.02430000e-02 4.53410000e-03 2.49160000e-03 1.56880000e-03 7.98700000e-04 4.96280000e-04 2.30930000e-04] L = [ 8.50000000e+05 3.20410000e+05 1.53700000e+05 5.25580000e+04 2.40790000e+04 1.30210000e+04 7.84090000e+03 3.93110000e+03 3.84370000e+03 3.49430000e+03 1.85520000e+03 5.78980000e+02 2.50520000e+02 7.56850000e+01 3.20060000e+01 1.63140000e+01 9.37140000e+00 3.88520000e+00 1.95590000e+00 5.61650000e-01 2.33490000e-01 6.99140000e-02 3.09360000e-02 1.69950000e-02 1.07000000e-02 5.44640000e-03 3.38420000e-03 1.57450000e-03] M5 = [ 8.74700000e+03 2.08970000e+03 7.22710000e+02 1.51800000e+02 4.78380000e+01 1.90160000e+01 8.81290000e+00 3.05160000e+00 2.94820000e+00 2.54790000e+00 9.65260000e-01 1.60310000e-01 4.35890000e-02 6.78200000e-03 1.80040000e-03 6.43590000e-04 2.77910000e-04 7.45680000e-05 2.72000000e-05 4.56880000e-06 1.36000000e-06 2.76600000e-07 9.87360000e-08 4.75650000e-08 2.73470000e-08 1.24420000e-08 7.24810000e-09 3.13010000e-09] M4 = [ 5.96280000e+03 1.42900000e+03 4.95390000e+02 1.04440000e+02 3.30220000e+01 1.31640000e+01 6.11610000e+00 2.13790000e+00 2.06580000e+00 1.78650000e+00 6.79760000e-01 1.13960000e-01 3.12470000e-02 4.93350000e-03 1.32550000e-03 4.78480000e-04 2.08650000e-04 5.67970000e-05 2.09790000e-05 3.58100000e-06 1.07140000e-06 2.13150000e-07 7.33580000e-08 3.34800000e-08 1.84240000e-08 7.60370000e-09 4.07360000e-09 1.50490000e-09] L2 = [ 2.46300000e+05 8.69930000e+04 3.91580000e+04 1.19430000e+04 4.94710000e+03 2.44500000e+03 1.35740000e+03 6.03590000e+02 5.87750000e+02 5.25080000e+02 2.47130000e+02 6.06340000e+01 2.18220000e+01 5.02620000e+00 1.74760000e+00 7.66060000e-01 3.89870000e-01 1.34450000e-01 5.91640000e-02 1.36330000e-02 4.95770000e-03 1.26760000e-03 5.12730000e-04 2.63820000e-04 1.57870000e-04 7.40280000e-05 4.32230000e-05 1.81100000e-05] L3 = [ 4.80670000e+05 1.67890000e+05 7.50580000e+04 2.26700000e+04 9.32400000e+03 4.58150000e+03 2.53100000e+03 1.11740000e+03 1.08780000e+03 9.70830000e+02 4.53650000e+02 1.09660000e+02 3.89790000e+01 8.79290000e+00 3.00400000e+00 1.29660000e+00 6.50730000e-01 2.19020000e-01 9.44150000e-02 2.09220000e-02 7.41370000e-03 1.85090000e-03 7.43000000e-04 3.85900000e-04 2.34380000e-04 1.14770000e-04 6.98900000e-05 3.16310000e-05] M3 = [ 4.53160000e+04 1.69630000e+04 7.99920000e+03 2.59050000e+03 1.11110000e+03 5.61430000e+02 3.16270000e+02 1.42720000e+02 1.39030000e+02 1.24420000e+02 5.90880000e+01 1.46420000e+01 5.27760000e+00 1.20810000e+00 4.15330000e-01 1.80170000e-01 9.07380000e-02 3.06840000e-02 1.32650000e-02 2.95060000e-03 1.04760000e-03 2.61880000e-04 1.05390000e-04 5.48140000e-05 3.33180000e-05 1.63210000e-05 9.92130000e-06 4.50210000e-06] L1 = [ 1.23030000e+05 6.55220000e+04 3.94850000e+04 1.79450000e+04 9.80770000e+03 5.99480000e+03 3.95250000e+03 2.21010000e+03 2.16810000e+03 1.99840000e+03 1.15450000e+03 4.08690000e+02 1.89720000e+02 6.18660000e+01 2.72550000e+01 1.42520000e+01 8.33080000e+00 3.53170000e+00 1.80240000e+00 5.27090000e-01 2.21120000e-01 6.67950000e-02 2.96800000e-02 1.63450000e-02 1.03070000e-02 5.25760000e-03 3.27110000e-03 1.52480000e-03] JK = 7.63834519573 M1 = [ 2.33530000e+04 1.09600000e+04 6.21810000e+03 2.68900000e+03 1.44190000e+03 8.73750000e+02 5.73430000e+02 3.19390000e+02 3.13280000e+02 2.88650000e+02 1.66480000e+02 5.89600000e+01 2.74240000e+01 8.97340000e+00 3.96280000e+00 2.07600000e+00 1.21370000e+00 5.15460000e-01 2.63370000e-01 7.71650000e-02 3.24060000e-02 9.79980000e-03 4.35560000e-03 2.39920000e-03 1.51300000e-03 7.71840000e-04 4.80200000e-04 2.23860000e-04] all other = [ 1.52980000e+03 7.07860000e+02 3.99100000e+02 1.71520000e+02 9.22990000e+01 5.58690000e+01 3.66430000e+01 2.03990000e+01 2.00090000e+01 1.84340000e+01 1.06300000e+01 3.76390000e+00 1.75080000e+00 5.72930000e-01 2.53020000e-01 1.32540000e-01 7.75850000e-02 3.29550000e-02 1.68400000e-02 4.93470000e-03 2.07250000e-03 6.26870000e-04 2.78660000e-04 1.53550000e-04 9.68910000e-05 4.95040000e-05 3.08730000e-05 1.45310000e-05] total = [ 9.58200000e+05 3.61360000e+05 1.73710000e+05 5.96310000e+04 2.73950000e+04 1.48440000e+04 8.95190000e+03 4.49600000e+03 3.43420000e+04 3.16180000e+04 1.78870000e+04 5.98220000e+03 2.67880000e+03 8.35520000e+02 3.58320000e+02 1.84040000e+02 1.06190000e+02 4.42440000e+01 2.23280000e+01 6.42700000e+00 2.67370000e+00 8.00840000e-01 3.54360000e-01 1.94750000e-01 1.22680000e-01 6.25230000e-02 3.88960000e-02 1.81440000e-02] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.99460000e+04 2.76210000e+04 1.57610000e+04 5.31750000e+03 2.39080000e+03 7.48380000e+02 3.21440000e+02 1.65230000e+02 9.53850000e+01 3.97610000e+01 2.00710000e+01 5.77830000e+00 2.40400000e+00 7.20060000e-01 3.18620000e-01 1.75110000e-01 1.10310000e-01 5.62280000e-02 3.49850000e-02 1.63240000e-02] [Co.binding] K = 7.6807 L1 = 0.923 M5 = 0.0137 M4 = 0.0139 M1 = 0.1097 L3 = 0.7923 M3 = 0.0723 M2 = 0.0742 L2 = 0.8076 [Cm] JL1 = 1.13225243013 JL3 = 2.3012355114 JL2 = 1.40052707474 energy = [ 1.00000000e+00 1.19320000e+00 1.20270000e+00 1.49260000e+00 1.50000000e+00 1.50460000e+00 1.66620000e+00 1.67950000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 4.01070000e+00 4.04280000e+00 4.23250000e+00 4.26640000e+00 4.82360000e+00 4.86220000e+00 5.00000000e+00 5.94160000e+00 5.98910000e+00 6.00000000e+00 6.31900000e+00 6.36950000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 1.89730000e+01 1.91250000e+01 2.00000000e+01 2.37570000e+01 2.39470000e+01 2.45770000e+01 2.47740000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.29000000e+02 1.30030000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 3.96915272476 M5 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.32920000e+05 2.14120000e+05 2.09710000e+05 1.53490000e+05 1.50170000e+05 1.38920000e+05 8.36750000e+04 8.18400000e+04 8.14290000e+04 7.03160000e+04 6.87000000e+04 3.45450000e+04 1.71750000e+04 4.54190000e+03 2.03410000e+03 1.97870000e+03 1.69310000e+03 9.23380000e+02 8.97530000e+02 8.18110000e+02 7.95160000e+02 3.99100000e+02 1.38640000e+02 6.01670000e+01 3.02000000e+01 1.00900000e+01 4.30540000e+00 1.63370000e+00 1.58510000e+00 9.24120000e-01 3.18280000e-01 7.51840000e-02 2.87330000e-02 1.42450000e-02 8.29350000e-03 3.78720000e-03 2.14300000e-03 8.79610000e-04] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.47550000e+05 1.13230000e+05 1.11000000e+05 1.03320000e+05 6.37120000e+04 6.22550000e+04 6.19290000e+04 5.32270000e+04 5.20820000e+04 2.67690000e+04 1.35880000e+04 3.73310000e+03 1.71050000e+03 1.66520000e+03 1.43200000e+03 7.95050000e+02 7.73490000e+02 7.07050000e+02 6.87790000e+02 3.52480000e+02 1.26620000e+02 5.64820000e+01 2.90170000e+01 1.00670000e+01 4.42240000e+00 1.73320000e+00 1.68320000e+00 9.98100000e-01 3.54100000e-01 8.58970000e-02 3.29520000e-02 1.62270000e-02 9.33840000e-03 4.17440000e-03 2.32680000e-03 9.08060000e-04] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.01000000e+04 7.44480000e+03 5.33060000e+03 2.73940000e+03 1.79940000e+03 1.77300000e+03 1.63170000e+03 1.17930000e+03 1.16130000e+03 1.10440000e+03 1.08750000e+03 7.46470000e+02 4.14820000e+02 2.58460000e+02 1.73830000e+02 9.13200000e+01 5.47020000e+01 3.01310000e+01 2.95690000e+01 2.10700000e+01 1.06000000e+01 4.03910000e+00 2.06780000e+00 1.24840000e+00 8.36330000e-01 4.54980000e-01 2.89550000e-01 1.33230000e-01] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 6.32690000e+04 6.09530000e+04 4.55720000e+04 4.49180000e+04 4.47690000e+04 4.05790000e+04 3.99520000e+04 2.57150000e+04 1.62030000e+04 6.51920000e+03 3.70420000e+03 3.63240000e+03 3.25220000e+03 2.10440000e+03 2.06180000e+03 1.92830000e+03 1.88890000e+03 1.14260000e+03 5.22310000e+02 2.78810000e+02 1.64990000e+02 7.08070000e+01 3.63020000e+01 1.68000000e+01 1.63980000e+01 1.06220000e+01 4.44230000e+00 1.33000000e+00 5.83700000e-01 3.16380000e-01 1.95770000e-01 9.58260000e-02 5.70960000e-02 2.41970000e-02] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.60250000e+04 1.59820000e+04 1.51540000e+04 1.50140000e+04 1.13800000e+04 8.15640000e+03 3.93540000e+03 2.45110000e+03 2.41080000e+03 2.19520000e+03 1.51180000e+03 1.48550000e+03 1.40240000e+03 1.37770000e+03 8.90930000e+02 4.48900000e+02 2.58140000e+02 1.62320000e+02 7.66490000e+01 4.23240000e+01 2.13140000e+01 2.08590000e+01 1.41630000e+01 6.49870000e+00 2.20020000e+00 1.04440000e+00 5.97890000e-01 3.85280000e-01 1.99640000e-01 1.23770000e-01 5.61880000e-02] total = [ 3.08750000e+06 2.26140000e+06 2.37050000e+06 1.56100000e+06 1.56620000e+06 1.55620000e+06 1.26380000e+06 1.26630000e+06 8.78240000e+05 3.59930000e+05 1.85850000e+05 1.84690000e+05 4.14200000e+05 3.76970000e+05 5.17090000e+05 3.86380000e+05 4.41850000e+05 4.13060000e+05 2.65630000e+05 2.76320000e+05 2.75080000e+05 2.41890000e+05 2.47270000e+05 1.41050000e+05 8.07030000e+04 2.87630000e+04 1.57020000e+04 3.61340000e+04 3.22140000e+04 2.01110000e+04 2.81660000e+04 2.63360000e+04 2.98190000e+04 1.83530000e+04 8.74870000e+03 4.88410000e+03 3.01880000e+03 1.40360000e+03 7.72390000e+02 3.90310000e+02 1.54920000e+03 1.08400000e+03 5.23260000e+02 1.89220000e+02 9.42040000e+01 5.60130000e+01 3.71990000e+01 2.00780000e+01 1.27440000e+01 5.86880000e+00] JM2 = 1.04024394835 JM3 = 1.14356333144 K = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 1167.1 823.29 401.88 146.9 73.599 43.969 29.308 15.899 10.123 4.6778] JM1 = 1.02224151474 M = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.32920000e+05 2.14120000e+05 3.57260000e+05 2.66720000e+05 3.24440000e+05 3.03190000e+05 1.92960000e+05 2.05040000e+05 2.04110000e+05 1.79280000e+05 1.85850000e+05 1.05850000e+05 6.04540000e+04 2.14690000e+04 1.16990000e+04 1.14600000e+04 1.02040000e+04 6.51400000e+03 6.37970000e+03 5.96030000e+03 5.83710000e+03 3.53160000e+03 1.65130000e+03 9.12060000e+02 5.60350000e+02 2.58930000e+02 1.42060000e+02 7.16120000e+01 7.00940000e+01 4.77780000e+01 2.22130000e+01 7.73040000e+00 3.75760000e+00 2.19320000e+00 1.43500000e+00 7.58420000e-01 4.74880000e-01 2.15400000e-01] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.07510000e+04 1.85130000e+04 1.13530000e+04 1.95890000e+04 1.83210000e+04 2.19680000e+04 1.35970000e+04 6.52090000e+03 3.65200000e+03 2.26110000e+03 1.05300000e+03 5.79850000e+02 2.93150000e+02 2.86960000e+02 1.95820000e+02 9.11950000e+01 3.18070000e+01 1.54920000e+01 9.05880000e+00 5.93710000e+00 3.14610000e+00 1.97380000e+00 8.97580000e-01] JM4 = 1.37170066584 JM5 = 2.24267691808 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 8.47740000e+03 7.96680000e+03 7.86280000e+03 4.88680000e+03 2.33410000e+03 1.29290000e+03 7.89700000e+02 3.57500000e+02 1.91830000e+02 9.38760000e+01 9.17980000e+01 6.14700000e+01 2.75380000e+01 9.08870000e+00 4.25860000e+00 2.41970000e+00 1.55190000e+00 8.00150000e-01 4.94770000e-01 2.23840000e-01] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.07510000e+04 1.85130000e+04 1.13530000e+04 1.11110000e+04 1.03540000e+04 1.01300000e+04 5.85440000e+03 2.51760000e+03 1.28930000e+03 7.39930000e+02 3.04260000e+02 1.51610000e+02 6.82530000e+01 6.65680000e+01 4.25510000e+01 1.73980000e+01 5.08900000e+00 2.20830000e+00 1.18950000e+00 7.33300000e-01 3.57630000e-01 2.12720000e-01 9.03450000e-02] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.97550000e+03 2.85570000e+03 1.66920000e+03 1.06980000e+03 7.31500000e+02 3.91270000e+02 2.36410000e+02 1.31020000e+02 1.28590000e+02 9.17980000e+01 4.62580000e+01 1.76300000e+01 9.02480000e+00 5.44960000e+00 3.65190000e+00 1.98830000e+00 1.26630000e+00 5.83390000e-01] all other = [ 3.08750000e+06 2.26140000e+06 2.37050000e+06 1.56100000e+06 1.56620000e+06 1.55620000e+06 1.26380000e+06 1.26630000e+06 8.78240000e+05 3.59930000e+05 1.85850000e+05 1.84690000e+05 1.81290000e+05 1.62850000e+05 1.59830000e+05 1.19660000e+05 1.17410000e+05 1.09870000e+05 7.26710000e+04 7.12850000e+04 7.09740000e+04 6.26180000e+04 6.14200000e+04 3.51980000e+04 2.02490000e+04 7.29440000e+03 4.00310000e+03 3.92260000e+03 3.49710000e+03 2.24370000e+03 2.19790000e+03 2.05500000e+03 2.01300000e+03 1.22450000e+03 5.76550000e+02 3.20020000e+02 1.97330000e+02 9.16770000e+01 5.04870000e+01 2.55470000e+01 2.50090000e+01 1.70830000e+01 7.97090000e+00 2.78430000e+00 1.35600000e+00 7.92410000e-01 5.18860000e-01 2.74400000e-01 1.71860000e-01 7.79630000e-02] [Cm.binding] K = 129.125 L1 = 24.602 M5 = 4.0147 M4 = 4.2367 M1 = 6.3253 L3 = 18.9921 M3 = 4.8284 M2 = 5.9475 L2 = 23.7804 [Cl] energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 2.80210000e+00 2.82450000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 2.09030000e+03 6.44650000e+02 2.66780000e+02 9.09430000e+01 8.86150000e+01 7.27750000e+01 2.79040000e+01 1.29830000e+01 6.85870000e+00 2.45470000e+00 1.08880000e+00 2.40540000e-01 8.05810000e-02 1.68550000e-02 5.50410000e-03 2.30800000e-03 1.13610000e-03 3.73620000e-04 1.59020000e-04 3.47440000e-05 1.22270000e-05 3.00770000e-06 1.18290000e-06 5.98960000e-07 3.53700000e-07 1.63400000e-07 9.44120000e-08 3.89970000e-08] M = [ 1.19620000e+04 4.37850000e+03 2.09430000e+03 8.65250000e+02 8.47180000e+02 7.21950000e+02 3.33440000e+02 1.81200000e+02 1.09300000e+02 4.86520000e+01 2.57120000e+01 7.87820000e+00 3.34660000e+00 9.78190000e-01 4.02760000e-01 2.00940000e-01 1.13410000e-01 4.57490000e-02 2.25620000e-02 6.25440000e-03 2.54170000e-03 7.40120000e-04 3.22230000e-04 1.75360000e-04 1.09800000e-04 5.56610000e-05 3.46100000e-05 1.62400000e-05] L = [ 1.54580000e+05 5.29830000e+04 2.43640000e+04 9.65780000e+03 9.44690000e+03 7.99300000e+03 3.57440000e+03 1.89950000e+03 1.12760000e+03 4.90880000e+02 2.55600000e+02 7.67260000e+01 3.22110000e+01 9.29640000e+00 3.80200000e+00 1.88890000e+00 1.06310000e+00 4.27250000e-01 2.10230000e-01 5.81280000e-02 2.35890000e-02 6.86020000e-03 2.98510000e-03 1.62400000e-03 1.01660000e-03 5.15120000e-04 3.20090000e-04 1.49930000e-04] L2 = [ 3.48600000e+04 1.02830000e+04 4.15980000e+03 1.38660000e+03 1.35040000e+03 1.10480000e+03 4.16240000e+02 1.91560000e+02 1.00480000e+02 3.56310000e+01 1.57090000e+01 3.44080000e+00 1.14730000e+00 2.38730000e-01 7.77290000e-02 3.25300000e-02 1.59920000e-02 5.24750000e-03 2.23870000e-03 4.89080000e-04 1.72180000e-04 4.23990000e-05 1.66860000e-05 8.44890000e-06 5.00860000e-06 2.31580000e-06 1.34580000e-06 5.58730000e-07] L3 = [ 6.82940000e+04 2.00680000e+04 8.09440000e+03 2.68800000e+03 2.61760000e+03 2.13980000e+03 8.03230000e+02 3.68470000e+02 1.92720000e+02 6.79910000e+01 2.98410000e+01 6.47170000e+00 2.13890000e+00 4.38370000e-01 1.40840000e-01 5.82460000e-02 2.83220000e-02 9.12130000e-03 3.81170000e-03 8.05970000e-04 2.77900000e-04 6.72930000e-05 2.66820000e-05 1.37870000e-05 8.33490000e-06 4.07810000e-06 2.47930000e-06 1.13150000e-06] M3 = [ 4.09260000e+03 1.25750000e+03 5.18790000e+02 1.76180000e+02 1.71650000e+02 1.40860000e+02 5.38020000e+01 2.49510000e+01 1.31130000e+01 4.66880000e+00 2.06140000e+00 4.50850000e-01 1.49710000e-01 3.08420000e-02 9.93540000e-03 4.11530000e-03 2.00380000e-03 6.46150000e-04 2.70570000e-04 5.72950000e-05 1.97740000e-05 4.79390000e-06 1.90130000e-06 9.81690000e-07 5.95720000e-07 2.92020000e-07 1.78510000e-07 8.24050000e-08] L1 = [ 5.14300000e+04 2.26310000e+04 1.21090000e+04 5.58320000e+03 5.47890000e+03 4.74840000e+03 2.35500000e+03 1.33950000e+03 8.34410000e+02 3.87260000e+02 2.10050000e+02 6.68140000e+01 2.89250000e+01 8.61930000e+00 3.58340000e+00 1.79810000e+00 1.01880000e+00 4.12880000e-01 2.04170000e-01 5.68330000e-02 2.31390000e-02 6.75050000e-03 2.94170000e-03 1.60170000e-03 1.00320000e-03 5.08730000e-04 3.16270000e-04 1.48240000e-04] JK = 9.13323196807 M1 = [ 5.77880000e+03 2.47630000e+03 1.30880000e+03 5.98130000e+02 5.86910000e+02 5.08310000e+02 2.51730000e+02 1.43270000e+02 8.93240000e+01 4.15280000e+01 2.25620000e+01 7.18680000e+00 3.11630000e+00 9.30500000e-01 3.87320000e-01 1.94510000e-01 1.10270000e-01 4.47290000e-02 2.21330000e-02 6.16240000e-03 2.50970000e-03 7.32320000e-04 3.19140000e-04 1.73780000e-04 1.08850000e-04 5.52060000e-05 3.43370000e-05 1.61190000e-05] all other = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0.] total = [ 1.66550000e+05 5.73610000e+04 2.64580000e+04 1.05230000e+04 9.61090000e+04 8.65790000e+04 4.13290000e+04 2.28810000e+04 1.39630000e+04 6.26930000e+03 3.32060000e+03 1.01690000e+03 4.30540000e+02 1.25150000e+02 5.13350000e+01 2.55400000e+01 1.43840000e+01 5.78400000e+00 2.84630000e+00 7.86440000e-01 3.19010000e-01 9.27190000e-02 4.03340000e-02 2.19400000e-02 1.37350000e-02 6.96300000e-03 4.33090000e-03 2.03040000e-03] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 8.58150000e+04 7.78640000e+04 3.74210000e+04 2.08000000e+04 1.27260000e+04 5.72970000e+03 3.03930000e+03 9.32330000e+02 3.94980000e+02 1.14880000e+02 4.71300000e+01 2.34500000e+01 1.32070000e+01 5.31100000e+00 2.61350000e+00 7.22060000e-01 2.92880000e-01 8.51190000e-02 3.70260000e-02 2.01410000e-02 1.26090000e-02 6.39230000e-03 3.97620000e-03 1.86420000e-03] [Cl.binding] K = 2.8049 L1 = 0.2681 M1 = 0.0248 L3 = 0.2077 M3 = 0.0123 M2 = 0.0124 L2 = 0.2095 [Ca] energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 4.01100000e+00 4.04320000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 6.89460000e+03 2.28720000e+03 9.94380000e+02 2.87380000e+02 1.14290000e+02 1.13270000e+02 1.10360000e+02 5.47720000e+01 2.96450000e+01 1.09900000e+01 4.99490000e+00 1.14990000e+00 3.96690000e-01 8.60700000e-02 2.87340000e-02 1.22280000e-02 6.08470000e-03 2.03160000e-03 8.74450000e-04 1.94480000e-04 6.92190000e-05 1.72590000e-05 6.84910000e-06 3.48330000e-06 2.06660000e-06 9.59790000e-07 5.56710000e-07 2.31050000e-07] M = [ 3.10080000e+04 1.14430000e+04 5.48430000e+03 1.87820000e+03 8.61140000e+02 8.54680000e+02 8.36240000e+02 4.66240000e+02 2.80900000e+02 1.24960000e+02 6.60640000e+01 2.03550000e+01 8.70100000e+00 2.56990000e+00 1.06750000e+00 5.36300000e-01 3.04410000e-01 1.23880000e-01 6.15010000e-02 1.72440000e-02 7.05880000e-03 2.07370000e-03 9.07290000e-04 4.95160000e-04 3.10540000e-04 1.57590000e-04 9.79400000e-05 4.58060000e-05] L = [ 2.91840000e+05 1.02030000e+05 4.73550000e+04 1.56830000e+04 7.06740000e+03 7.01330000e+03 6.85900000e+03 3.78220000e+03 2.25850000e+03 9.92230000e+02 5.20410000e+02 1.58530000e+02 6.73340000e+01 1.97690000e+01 8.18160000e+00 4.10050000e+00 2.32370000e+00 9.43560000e-01 4.67790000e-01 1.30900000e-01 5.35520000e-02 1.57190000e-02 6.87500000e-03 3.75140000e-03 2.35240000e-03 1.19370000e-03 7.41660000e-04 3.46690000e-04] L2 = [ 7.36250000e+04 2.28920000e+04 9.58200000e+03 2.66170000e+03 1.03670000e+03 1.02720000e+03 1.00030000e+03 4.89550000e+02 2.61970000e+02 9.56320000e+01 4.30680000e+01 9.79620000e+00 3.35260000e+00 7.21850000e-01 2.39960000e-01 1.01830000e-01 5.05730000e-02 1.68420000e-02 7.23420000e-03 1.60410000e-03 5.72640000e-04 1.42710000e-04 5.66460000e-05 2.88800000e-05 1.71220000e-05 7.95140000e-06 4.63770000e-06 1.93810000e-06] L3 = [ 1.43830000e+05 4.44880000e+04 1.85510000e+04 5.12330000e+03 1.98650000e+03 1.96830000e+03 1.91650000e+03 9.34510000e+02 4.98380000e+02 1.80840000e+02 8.10110000e+01 1.82200000e+01 6.17530000e+00 1.30730000e+00 4.28280000e-01 1.79410000e-01 8.80490000e-02 2.87230000e-02 1.21250000e-02 2.60310000e-03 9.04540000e-04 2.21290000e-04 8.80280000e-05 4.54350000e-05 2.75570000e-05 1.35110000e-05 8.17860000e-06 3.72030000e-06] M3 = [ 1.34870000e+04 4.45140000e+03 1.92800000e+03 5.53970000e+02 2.19290000e+02 2.17320000e+02 2.11720000e+02 1.04680000e+02 5.64600000e+01 2.08030000e+01 9.40500000e+00 2.14210000e+00 7.29930000e-01 1.55720000e-01 5.12210000e-02 2.15120000e-02 1.05760000e-02 3.45840000e-03 1.46160000e-03 3.14430000e-04 1.09490000e-04 2.68060000e-05 1.06660000e-05 5.52110000e-06 3.34870000e-06 1.63940000e-06 9.98950000e-07 4.55430000e-07] L1 = [ 7.43920000e+04 3.46510000e+04 1.92220000e+04 7.89770000e+03 4.04420000e+03 4.01780000e+03 3.94220000e+03 2.35810000e+03 1.49810000e+03 7.15760000e+02 3.96330000e+02 1.30510000e+02 5.78060000e+01 1.77400000e+01 7.51340000e+00 3.81930000e+00 2.18500000e+00 8.97990000e-01 4.48430000e-01 1.26690000e-01 5.20750000e-02 1.53550000e-02 6.73040000e-03 3.67710000e-03 2.30770000e-03 1.17220000e-03 7.28850000e-04 3.41030000e-04] JK = 8.56951364476 M1 = [ 1.06260000e+04 4.70410000e+03 2.56190000e+03 1.03690000e+03 5.27560000e+02 5.24090000e+02 5.14160000e+02 3.06790000e+02 1.94800000e+02 9.31680000e+01 5.16640000e+01 1.70630000e+01 7.57440000e+00 2.32810000e+00 9.87580000e-01 5.02560000e-01 2.87750000e-01 1.18390000e-01 5.91650000e-02 1.67350000e-02 6.88010000e-03 2.02960000e-03 8.89770000e-04 4.86160000e-04 3.05120000e-04 1.54990000e-04 9.63840000e-05 4.51190000e-05] all other = [ 8.13700000e+02 3.57980000e+02 1.94440000e+02 7.87960000e+01 4.00620000e+01 3.97980000e+01 3.90440000e+01 2.32890000e+01 1.47850000e+01 7.07120000e+00 3.92120000e+00 1.29500000e+00 5.74820000e-01 1.76910000e-01 7.50570000e-02 3.81990000e-02 2.18730000e-02 8.99990000e-03 4.49790000e-03 1.27230000e-03 5.23100000e-04 1.54330000e-04 6.76880000e-05 3.70090000e-05 2.32470000e-05 1.18450000e-05 7.39820000e-06 3.52420000e-06] total = [ 3.23670000e+05 1.13830000e+05 5.30340000e+04 1.76400000e+04 7.96860000e+03 7.90780000e+03 6.77660000e+04 3.99860000e+04 2.47300000e+04 1.14090000e+04 6.15000000e+03 1.93710000e+03 8.34880000e+02 2.48250000e+02 1.03290000e+02 5.19090000e+01 2.94620000e+01 1.19820000e+01 5.94420000e+00 1.66390000e+00 6.80340000e-01 1.99610000e-01 8.72860000e-02 4.76290000e-02 2.98720000e-02 1.51660000e-02 9.43080000e-03 4.41470000e-03] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 6.00320000e+04 3.57140000e+04 2.21760000e+04 1.02850000e+04 5.55960000e+03 1.75690000e+03 7.58270000e+02 2.25740000e+02 9.39640000e+01 4.72340000e+01 2.68120000e+01 1.09060000e+01 5.41040000e+00 1.51450000e+00 6.19210000e-01 1.81660000e-01 7.94360000e-02 4.33460000e-02 2.71860000e-02 1.38030000e-02 8.58380000e-03 4.01870000e-03] [Ca.binding] K = 4.015 L1 = 0.4341 M1 = 0.0532 L3 = 0.3552 M3 = 0.0336 M2 = 0.034 L2 = 0.3591 [Cf] JL1 = 1.13161126576 JL3 = 2.29138984853 JL2 = 1.40585571013 energy = [ 1.00000000e+00 1.27160000e+00 1.28180000e+00 1.50000000e+00 1.60940000e+00 1.62230000e+00 1.79160000e+00 1.80590000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 4.24290000e+00 4.27690000e+00 4.48710000e+00 4.52310000e+00 5.00000000e+00 5.09810000e+00 5.13890000e+00 6.00000000e+00 6.34700000e+00 6.39780000e+00 6.74110000e+00 6.79500000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 1.99070000e+01 2.00000000e+01 2.00660000e+01 2.52230000e+01 2.54250000e+01 2.60810000e+01 2.62900000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.35820000e+02 1.36910000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 3.87810600405 M5 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.16880000e+05 1.99050000e+05 1.94920000e+05 1.51260000e+05 1.43550000e+05 1.40450000e+05 8.97430000e+04 7.58280000e+04 7.41580000e+04 6.38540000e+04 6.23670000e+04 3.80290000e+04 1.90300000e+04 5.08250000e+03 1.93780000e+03 1.90680000e+03 1.88500000e+03 8.43790000e+02 8.20160000e+02 7.48930000e+02 7.27920000e+02 4.53040000e+02 1.58230000e+02 6.89520000e+01 3.47210000e+01 1.16570000e+01 4.99110000e+00 1.56500000e+00 1.51870000e+00 1.07740000e+00 3.72290000e-01 8.82530000e-02 3.37800000e-02 1.67580000e-02 9.75810000e-03 4.45460000e-03 2.54330000e-03 1.03180000e-03] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.36120000e+05 1.11510000e+05 1.06340000e+05 1.04250000e+05 6.83260000e+04 5.80740000e+04 5.67420000e+04 4.87180000e+04 4.76660000e+04 2.95700000e+04 1.51220000e+04 4.19790000e+03 1.64540000e+03 1.61980000e+03 1.60190000e+03 7.35270000e+02 7.15350000e+02 6.55090000e+02 6.37250000e+02 4.02600000e+02 1.45520000e+02 6.52120000e+01 3.36250000e+01 1.17310000e+01 5.17450000e+00 1.68760000e+00 1.63920000e+00 1.17570000e+00 4.18830000e-01 1.02110000e-01 3.92950000e-02 1.93920000e-02 1.11780000e-02 5.00810000e-03 2.79610000e-03 1.09530000e-03] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 9.20340000e+03 7.42970000e+03 5.35250000e+03 2.80680000e+03 1.69990000e+03 1.68530000e+03 1.67500000e+03 1.09090000e+03 1.07420000e+03 1.02270000e+03 1.00710000e+03 7.78400000e+02 4.34940000e+02 2.72160000e+02 1.83600000e+02 9.69460000e+01 5.82900000e+01 2.85690000e+01 2.80380000e+01 2.26060000e+01 1.14290000e+01 4.38620000e+00 2.25660000e+00 1.36720000e+00 9.18170000e-01 5.01010000e-01 3.19280000e-01 1.47000000e-01] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.99580000e+04 4.65660000e+04 4.21870000e+04 4.15600000e+04 3.75520000e+04 3.69640000e+04 2.69670000e+04 1.70840000e+04 6.96040000e+03 3.53220000e+03 3.49190000e+03 3.46360000e+03 1.94680000e+03 1.90730000e+03 1.78600000e+03 1.74950000e+03 1.23830000e+03 5.69230000e+02 3.05150000e+02 1.81200000e+02 7.81570000e+01 4.02210000e+01 1.59920000e+01 1.56110000e+01 1.18420000e+01 4.97120000e+00 1.49470000e+00 6.57270000e-01 3.56560000e-01 2.20690000e-01 1.07980000e-01 6.42900000e-02 2.72060000e-02] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.45580000e+04 1.38010000e+04 1.36780000e+04 1.14600000e+04 8.28950000e+03 4.12290000e+03 2.35640000e+03 2.33390000e+03 2.31800000e+03 1.42330000e+03 1.39870000e+03 1.32260000e+03 1.29950000e+03 9.65420000e+02 4.92200000e+02 2.85460000e+02 1.80640000e+02 8.61190000e+01 4.78850000e+01 2.11600000e+01 2.07120000e+01 1.62100000e+01 7.49240000e+00 2.55950000e+00 1.22140000e+00 7.01670000e-01 4.53270000e-01 2.35620000e-01 1.46350000e-01 6.65950000e-02] total = [ 3.28490000e+06 2.18700000e+06 2.29230000e+06 1.68830000e+06 1.46380000e+06 1.45780000e+06 1.18700000e+06 1.18840000e+06 9.58040000e+05 3.92850000e+05 2.02740000e+05 1.76620000e+05 3.90230000e+05 3.53900000e+05 4.83010000e+05 3.82610000e+05 3.64320000e+05 4.16930000e+05 2.82070000e+05 2.43680000e+05 2.53320000e+05 2.22320000e+05 2.27160000e+05 1.51870000e+05 8.69970000e+04 3.11530000e+04 1.50520000e+04 3.44900000e+04 3.43680000e+04 1.85460000e+04 2.60730000e+04 2.44280000e+04 2.76430000e+04 1.97590000e+04 9.49670000e+03 5.31820000e+03 3.29510000e+03 1.53820000e+03 8.48890000e+02 3.75080000e+02 1.45460000e+03 1.16410000e+03 5.63040000e+02 2.04980000e+02 1.02540000e+02 6.11760000e+01 4.07220000e+01 2.20410000e+01 1.40070000e+01 6.45320000e+00] JM2 = 1.03956007879 JM3 = 1.14440601669 K = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 1087.4 876.21 428.5 157.84 79.522 47.69 31.873 17.345 11.059 5.1129] JM1 = 1.02177042101 M = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.16880000e+05 1.99050000e+05 3.31050000e+05 2.62760000e+05 2.49890000e+05 3.04660000e+05 2.04640000e+05 1.76090000e+05 1.87020000e+05 1.63920000e+05 1.69880000e+05 1.13460000e+05 6.48780000e+04 2.31700000e+04 1.11720000e+04 1.10380000e+04 1.09440000e+04 6.04010000e+03 5.91580000e+03 5.53530000e+03 5.42120000e+03 3.83780000e+03 1.80010000e+03 9.96930000e+02 6.13780000e+02 2.84610000e+02 1.56560000e+02 6.89740000e+01 6.75200000e+01 5.29110000e+01 2.46840000e+01 8.63070000e+00 4.20840000e+00 2.46160000e+00 1.61310000e+00 8.54070000e-01 5.35260000e-01 2.42930000e-01] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.96180000e+04 1.96230000e+04 1.03950000e+04 1.80900000e+04 1.69570000e+04 2.03260000e+04 1.45750000e+04 7.06080000e+03 3.96760000e+03 2.46280000e+03 1.15170000e+03 6.36110000e+02 2.81230000e+02 2.75320000e+02 2.15900000e+02 1.00900000e+02 3.53620000e+01 1.72790000e+01 1.01270000e+01 6.64760000e+00 3.52950000e+00 2.21640000e+00 1.00860000e+00] JM4 = 1.36482057078 JM5 = 2.20943268033 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 7.91730000e+03 7.46670000e+03 7.37140000e+03 5.28700000e+03 2.57810000e+03 1.43910000e+03 8.84020000e+02 4.03400000e+02 2.17820000e+02 9.29850000e+01 9.09450000e+01 7.05400000e+01 3.18080000e+01 1.05830000e+01 4.98310000e+00 2.84050000e+00 1.82600000e+00 9.44260000e-01 5.84970000e-01 2.65310000e-01] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.96180000e+04 1.96230000e+04 1.03950000e+04 1.01730000e+04 9.49010000e+03 9.28460000e+03 6.38040000e+03 2.75120000e+03 1.41340000e+03 8.13260000e+02 3.35610000e+02 1.67750000e+02 6.44940000e+01 6.29080000e+01 4.73110000e+01 1.94030000e+01 5.69510000e+00 2.47510000e+00 1.33410000e+00 8.22530000e-01 4.00950000e-01 2.38300000e-01 1.01040000e-01] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.67010000e+03 2.90750000e+03 1.73150000e+03 1.11510000e+03 7.65520000e+02 4.12700000e+02 2.50540000e+02 1.23750000e+02 1.21460000e+02 9.80500000e+01 4.96910000e+01 1.90840000e+01 9.82050000e+00 5.95210000e+00 3.99910000e+00 2.18430000e+00 1.39310000e+00 6.42250000e-01] all other = [ 3.28490000e+06 2.18700000e+06 2.29230000e+06 1.68830000e+06 1.46380000e+06 1.45780000e+06 1.18700000e+06 1.18840000e+06 9.58040000e+05 3.92850000e+05 2.02740000e+05 1.76620000e+05 1.73350000e+05 1.54850000e+05 1.51960000e+05 1.19850000e+05 1.14430000e+05 1.12280000e+05 7.74380000e+04 6.75960000e+04 6.63020000e+04 5.84000000e+04 5.72790000e+04 3.84200000e+04 2.21190000e+04 7.98300000e+03 3.87990000e+03 3.83370000e+03 3.80130000e+03 2.11020000e+03 2.06710000e+03 1.93540000e+03 1.89590000e+03 1.34660000e+03 6.35780000e+02 3.53690000e+02 2.18520000e+02 1.01830000e+02 5.62210000e+01 2.48760000e+01 2.43550000e+01 1.91120000e+01 8.94720000e+00 3.13980000e+00 1.53380000e+00 8.98010000e-01 5.89060000e-01 3.12070000e-01 1.95630000e-01 8.87850000e-02] [Cf.binding] K = 135.9536 L1 = 26.1072 M5 = 4.2472 M4 = 4.4916 M1 = 6.7478 L3 = 19.9268 M3 = 5.1032 M2 = 6.3533 L2 = 25.2482 [Ce] JL1 = 1.13079629037 JL3 = 2.80463083923 JL2 = 1.33682207422 energy = [ 1.00000000e+00 1.16930000e+00 1.17860000e+00 1.25890000e+00 1.26900000e+00 1.40890000e+00 1.42020000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 5.70690000e+00 5.75260000e+00 6.00000000e+00 6.15940000e+00 6.20870000e+00 6.50760000e+00 6.55970000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 4.04200000e+01 4.07440000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 5.68880915438 M5 = [ 1.09700000e+06 7.53670000e+05 7.39280000e+05 6.28920000e+05 6.16560000e+05 4.77210000e+05 4.67730000e+05 4.06330000e+05 1.83440000e+05 5.45400000e+04 2.18130000e+04 1.04000000e+04 6.62350000e+03 6.44400000e+03 5.57110000e+03 5.08650000e+03 4.94710000e+03 4.19690000e+03 4.08110000e+03 2.01490000e+03 8.92340000e+02 1.92250000e+02 6.21730000e+01 1.21070000e+01 3.69890000e+00 3.54190000e+00 3.42650000e+00 1.46000000e+00 6.80910000e-01 2.04300000e-01 8.07310000e-02 1.54070000e-02 4.94970000e-03 1.08810000e-03 4.00380000e-04 1.95430000e-04 1.13690000e-04 5.22460000e-05 2.95960000e-05 1.27030000e-05] M4 = [ 7.51750000e+05 5.17090000e+05 5.07390000e+05 4.32900000e+05 4.24540000e+05 3.29450000e+05 3.22960000e+05 2.81470000e+05 1.28490000e+05 3.86630000e+04 1.56120000e+04 7.49770000e+03 4.79850000e+03 4.66960000e+03 4.04270000e+03 3.69460000e+03 3.59450000e+03 3.05520000e+03 2.97180000e+03 1.47840000e+03 6.60860000e+02 1.45090000e+02 4.76560000e+01 9.51690000e+00 2.96760000e+00 2.84380000e+00 2.75290000e+00 1.19180000e+00 5.64240000e-01 1.73500000e-01 6.98790000e-02 1.37530000e-02 4.48250000e-03 9.84700000e-04 3.59270000e-04 1.70600000e-04 9.53650000e-05 4.07800000e-05 2.25450000e-05 8.41530000e-06] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.64800000e+04 5.29500000e+04 3.55770000e+04 1.90040000e+04 1.15990000e+04 7.74530000e+03 6.05050000e+03 5.96000000e+03 5.50360000e+03 5.23640000e+03 5.15750000e+03 4.71320000e+03 4.64120000e+03 3.14810000e+03 2.00800000e+03 8.56610000e+02 4.54860000e+02 1.78930000e+02 8.96870000e+01 8.74260000e+01 8.57360000e+01 5.16540000e+01 3.25840000e+01 1.54880000e+01 8.59210000e+00 2.88620000e+00 1.32140000e+00 4.43850000e-01 2.09620000e-01 1.19830000e-01 7.73600000e-02 4.03710000e-02 2.52610000e-02 1.16320000e-02] M3 = [ 0.00000000e+00 0.00000000e+00 2.30020000e+05 2.14220000e+05 2.12550000e+05 1.85270000e+05 1.83080000e+05 1.68460000e+05 1.07120000e+05 4.99420000e+04 2.72080000e+04 1.64130000e+04 1.20020000e+04 1.17740000e+04 1.06370000e+04 9.97980000e+03 9.78710000e+03 8.71740000e+03 8.54680000e+03 5.17590000e+03 2.87820000e+03 9.33950000e+02 4.02400000e+02 1.16330000e+02 4.66370000e+01 4.50930000e+01 4.39490000e+01 2.25870000e+01 1.23830000e+01 4.74090000e+00 2.23770000e+00 5.72200000e-01 2.20490000e-01 6.02760000e-02 2.53390000e-02 1.34300000e-02 8.24540000e-03 4.04890000e-03 2.44370000e-03 1.07830000e-03] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 9.04700000e+04 8.22580000e+04 8.15500000e+04 7.62890000e+04 5.12660000e+04 2.56780000e+04 1.45190000e+04 8.99870000e+03 6.68590000e+03 6.56470000e+03 5.95660000e+03 5.60470000e+03 5.50150000e+03 4.92780000e+03 4.83600000e+03 2.99370000e+03 1.70530000e+03 5.78670000e+02 2.57710000e+02 7.82720000e+01 3.25910000e+01 3.15570000e+01 3.07900000e+01 1.62850000e+01 9.17130000e+00 3.67210000e+00 1.79790000e+00 4.92590000e-01 1.99190000e-01 5.78000000e-02 2.50450000e-02 1.35250000e-02 8.35500000e-03 4.09360000e-03 2.45440000e-03 1.06360000e-03] total = [ 2.25730000e+06 1.57440000e+06 1.77570000e+06 1.53860000e+06 1.60250000e+06 1.28330000e+06 1.31750000e+06 1.16910000e+06 6.04840000e+05 2.27730000e+05 1.10520000e+05 6.25040000e+04 4.43980000e+04 1.24520000e+05 1.13080000e+05 1.05100000e+05 1.40500000e+05 1.25080000e+05 1.41440000e+05 8.59470000e+04 4.77120000e+04 1.61330000e+04 7.34960000e+03 2.38480000e+03 1.06210000e+03 1.03120000e+03 5.86630000e+03 3.42180000e+03 2.10480000e+03 9.58310000e+02 5.15250000e+02 1.64450000e+02 7.30370000e+01 2.37320000e+01 1.10260000e+01 6.25140000e+00 4.01740000e+00 2.08890000e+00 1.30620000e+00 6.02560000e-01] JM2 = 1.04153126219 JM3 = 1.12785823171 K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.85810000e+03 2.85740000e+03 1.76900000e+03 8.10980000e+02 4.37680000e+02 1.40280000e+02 6.24070000e+01 2.03070000e+01 9.44290000e+00 5.35750000e+00 3.44510000e+00 1.79340000e+00 1.12250000e+00 5.18580000e-01] JM1 = 1.02665004286 M = [ 1.84870000e+06 1.27080000e+06 1.47670000e+06 1.27600000e+06 1.34410000e+06 1.07420000e+06 1.11180000e+06 9.85490000e+05 5.05890000e+05 1.87830000e+05 9.07510000e+04 5.10540000e+04 3.61600000e+04 3.54130000e+04 3.17110000e+04 2.96020000e+04 2.89880000e+04 2.56100000e+04 2.50770000e+04 1.48110000e+04 8.14480000e+03 2.70660000e+03 1.22480000e+03 3.95150000e+02 1.75580000e+02 1.70460000e+02 1.66650000e+02 9.31780000e+01 5.53840000e+01 2.42790000e+01 1.27780000e+01 3.98020000e+00 1.75050000e+00 5.64000000e-01 2.60760000e-01 1.47150000e-01 9.41700000e-02 4.86070000e-02 3.02110000e-02 1.37950000e-02] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 8.10310000e+04 7.41050000e+04 6.86960000e+04 1.04850000e+05 9.35560000e+04 1.10560000e+05 6.76450000e+04 3.76110000e+04 1.27580000e+04 5.81670000e+03 1.88820000e+03 8.41000000e+02 8.16520000e+02 7.98310000e+02 4.46850000e+02 2.65810000e+02 1.16610000e+02 6.13930000e+01 1.91230000e+01 8.40860000e+00 2.70830000e+00 1.25210000e+00 7.06880000e-01 4.52500000e-01 2.33710000e-01 1.45340000e-01 6.64430000e-02] L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.76260000e+04 3.40080000e+04 3.32520000e+04 2.00170000e+04 1.07850000e+04 3.37300000e+03 1.42950000e+03 4.09760000e+02 1.65050000e+02 1.59630000e+02 1.55620000e+02 8.06860000e+01 4.47500000e+01 1.75540000e+01 8.48250000e+00 2.28120000e+00 9.13450000e-01 2.62430000e-01 1.13180000e-01 6.08370000e-02 3.75060000e-02 1.83420000e-02 1.09760000e-02 4.76230000e-03] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 8.10310000e+04 7.41050000e+04 6.86960000e+04 6.72230000e+04 5.95480000e+04 5.83540000e+04 3.39670000e+04 1.77950000e+04 5.32710000e+03 2.18330000e+03 5.96170000e+02 2.31320000e+02 2.23420000e+02 2.17580000e+02 1.09680000e+02 5.92350000e+01 2.22330000e+01 1.03610000e+01 2.60230000e+00 9.93300000e-01 2.68930000e-01 1.12510000e-01 5.96120000e-02 3.65570000e-02 1.79150000e-02 1.08100000e-02 4.75650000e-03] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.89570000e+04 1.36610000e+04 9.03090000e+03 4.05750000e+03 2.20390000e+03 8.82270000e+02 4.44630000e+02 4.33460000e+02 4.25120000e+02 2.56490000e+02 1.61820000e+02 7.68270000e+01 4.25490000e+01 1.42400000e+01 6.50190000e+00 2.17690000e+00 1.02640000e+00 5.86430000e-01 3.78440000e-01 1.97450000e-01 1.23550000e-01 5.69240000e-02] all other = [ 4.08630000e+05 3.03660000e+05 2.98970000e+05 2.62520000e+05 2.58380000e+05 2.09070000e+05 2.05670000e+05 1.83640000e+05 9.89460000e+04 3.99030000e+04 1.97740000e+04 1.14500000e+04 8.23720000e+03 8.07420000e+03 7.26370000e+03 6.79950000e+03 6.66410000e+03 5.91690000e+03 5.79850000e+03 3.49100000e+03 1.95600000e+03 6.69000000e+02 3.08110000e+02 1.01390000e+02 4.55630000e+01 4.42510000e+01 4.32750000e+01 2.43630000e+01 1.45590000e+01 6.43030000e+00 3.39990000e+00 1.06630000e+00 4.70720000e-01 1.52260000e-01 7.05370000e-02 3.98650000e-02 2.55320000e-02 1.31900000e-02 8.20250000e-03 3.74900000e-03] [Ce.binding] K = 40.4606 L1 = 6.5141 M5 = 0.886 M4 = 0.9054 M1 = 1.4103 L3 = 5.7126 M3 = 1.1704 M2 = 1.2602 L2 = 6.1655 [Xe] JM1 = 1.02476013618 JL1 = 1.13129414814 JL3 = 2.88371193813 JL2 = 1.33160344959 energy = [ 1.00000000e+00 1.12110000e+00 1.13010000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 4.76980000e+00 4.80800000e+00 5.00000000e+00 5.09900000e+00 5.13980000e+00 5.41200000e+00 5.45540000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 3.45240000e+01 3.48000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 1.19580000e+05 1.00080000e+05 9.92370000e+04 6.99360000e+04 4.48960000e+04 2.12370000e+04 1.16330000e+04 7.85400000e+03 7.71200000e+03 7.04830000e+03 6.73610000e+03 6.61260000e+03 5.86040000e+03 5.75120000e+03 4.58300000e+03 2.24290000e+03 1.25340000e+03 4.11000000e+02 1.78860000e+02 5.27010000e+01 3.41120000e+01 3.32750000e+01 2.15030000e+01 1.05850000e+01 5.89200000e+00 2.31860000e+00 1.12100000e+00 3.00830000e-01 1.20070000e-01 3.42890000e-02 1.47470000e-02 7.90150000e-03 4.86070000e-03 2.37080000e-03 1.41480000e-03 6.11370000e-04] M = [ 1.75060000e+06 1.37570000e+06 1.41950000e+06 7.57320000e+05 3.83550000e+05 1.40800000e+05 6.76330000e+04 4.28560000e+04 4.19750000e+04 3.78970000e+04 3.60040000e+04 3.52600000e+04 3.07940000e+04 3.01550000e+04 2.34690000e+04 1.09130000e+04 5.98120000e+03 1.97410000e+03 8.89070000e+02 2.85020000e+02 1.91550000e+02 1.87260000e+02 1.26060000e+02 6.66480000e+01 3.94910000e+01 1.72240000e+01 9.02720000e+00 2.78930000e+00 1.21950000e+00 3.89730000e-01 1.79270000e-01 1.00820000e-01 6.43930000e-02 3.31730000e-02 2.06130000e-02 9.43200000e-03] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 9.84870000e+04 9.24790000e+04 8.75150000e+04 1.31870000e+05 1.17050000e+05 1.38080000e+05 1.09600000e+05 5.20510000e+04 2.89180000e+04 9.67610000e+03 4.37860000e+03 1.40870000e+03 9.47320000e+02 9.26160000e+02 6.23800000e+02 3.30040000e+02 1.95620000e+02 8.53410000e+01 4.47240000e+01 1.38130000e+01 6.03620000e+00 1.92790000e+00 8.86550000e-01 4.98810000e-01 3.18620000e-01 1.64230000e-01 1.02100000e-01 4.67640000e-02] M5 = [ 8.15450000e+05 6.23410000e+05 6.11390000e+05 2.89870000e+05 1.27090000e+05 3.65890000e+04 1.43090000e+04 7.88370000e+03 7.67090000e+03 6.70240000e+03 6.26280000e+03 6.09200000e+03 5.09070000e+03 4.95090000e+03 3.54210000e+03 1.25490000e+03 5.46690000e+02 1.14290000e+02 3.62530000e+01 6.88360000e+00 3.83390000e+00 3.70810000e+00 2.06750000e+00 8.06350000e-01 3.72780000e-01 1.10480000e-01 4.32850000e-02 8.14540000e-03 2.59480000e-03 5.61100000e-04 2.07900000e-04 1.01760000e-04 5.86480000e-05 2.65810000e-05 1.56720000e-05 6.43460000e-06] M4 = [ 5.57730000e+05 4.27760000e+05 4.19660000e+05 2.00970000e+05 8.88390000e+04 2.58570000e+04 1.01930000e+04 5.64640000e+03 5.49540000e+03 4.80780000e+03 4.49520000e+03 4.37370000e+03 3.66050000e+03 3.56090000e+03 2.55570000e+03 9.14520000e+02 4.01810000e+02 8.54910000e+01 2.75120000e+01 5.34860000e+00 3.00650000e+00 2.90950000e+00 1.63790000e+00 6.49410000e-01 3.04500000e-01 9.23620000e-02 3.68410000e-02 7.13460000e-03 2.30180000e-03 5.00650000e-04 1.80640000e-04 8.53470000e-05 4.78430000e-05 2.04320000e-05 1.10270000e-05 4.19910000e-06] L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.61920000e+04 4.18280000e+04 4.09690000e+04 3.24790000e+04 1.48540000e+04 7.90920000e+03 2.40150000e+03 9.99470000e+02 2.79430000e+02 1.78150000e+02 1.73630000e+02 1.10680000e+02 5.34440000e+01 2.93490000e+01 1.13440000e+01 5.42170000e+00 1.43140000e+00 5.66520000e-01 1.60430000e-01 6.86010000e-02 3.66620000e-02 2.25090000e-02 1.09480000e-02 6.52890000e-03 2.81910000e-03] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 9.84870000e+04 9.24790000e+04 8.75150000e+04 8.56750000e+04 7.52230000e+04 7.37340000e+04 5.73950000e+04 2.53120000e+04 1.32100000e+04 3.85800000e+03 1.55800000e+03 4.17020000e+02 2.61560000e+02 2.54700000e+02 1.59660000e+02 7.49500000e+01 4.01690000e+01 1.49010000e+01 6.88580000e+00 1.70530000e+00 6.45390000e-01 1.73070000e-01 7.20630000e-02 3.80940000e-02 2.33380000e-02 1.14380000e-02 6.91100000e-03 3.05610000e-03] M3 = [ 2.57850000e+05 2.24490000e+05 2.22060000e+05 1.47830000e+05 9.05330000e+04 4.06140000e+04 2.15890000e+04 1.43180000e+04 1.40490000e+04 1.27910000e+04 1.22000000e+04 1.19660000e+04 1.05500000e+04 1.03460000e+04 8.17200000e+03 3.89230000e+03 2.12970000e+03 6.71570000e+02 2.83790000e+02 7.99800000e+01 5.09240000e+01 4.96260000e+01 3.15280000e+01 1.50810000e+01 8.18980000e+00 3.09160000e+00 1.44470000e+00 3.63500000e-01 1.38720000e-01 3.75180000e-02 1.56560000e-02 8.29590000e-03 5.08820000e-03 2.49370000e-03 1.50840000e-03 6.66610000e-04] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.33770000e+04 1.97270000e+04 1.18860000e+04 7.79880000e+03 3.41660000e+03 1.82110000e+03 7.12220000e+02 5.07610000e+02 4.97840000e+02 3.53470000e+02 2.01640000e+02 1.26100000e+02 5.90960000e+01 3.24170000e+01 1.06760000e+01 4.82430000e+00 1.59440000e+00 7.45880000e-01 4.24050000e-01 2.72770000e-01 1.41840000e-01 8.86650000e-02 4.08890000e-02] JK = 5.86550151976 M1 = [ 0.00000000e+00 0.00000000e+00 6.71550000e+04 4.87110000e+04 3.21930000e+04 1.65040000e+04 9.90910000e+03 7.15410000e+03 7.04790000e+03 6.54780000e+03 6.30970000e+03 6.21510000e+03 5.63190000e+03 5.54630000e+03 4.61590000e+03 2.60840000e+03 1.64950000e+03 6.91750000e+02 3.62670000e+02 1.40110000e+02 9.96690000e+01 9.77430000e+01 6.93220000e+01 3.95260000e+01 2.47320000e+01 1.16110000e+01 6.38140000e+00 2.10970000e+00 9.55830000e-01 3.16860000e-01 1.48480000e-01 8.44380000e-02 5.43370000e-02 2.82610000e-02 1.76630000e-02 8.14340000e-03] all other = [ 2.99810000e+05 2.39790000e+05 2.36010000e+05 1.31450000e+05 6.99410000e+04 2.73900000e+04 1.36940000e+04 8.86830000e+03 8.69390000e+03 7.88410000e+03 7.50670000e+03 7.35820000e+03 6.46300000e+03 6.33440000e+03 4.98030000e+03 2.37770000e+03 1.32640000e+03 4.50470000e+02 2.06270000e+02 6.73910000e+01 4.55390000e+01 4.45350000e+01 3.01340000e+01 1.60500000e+01 9.56100000e+00 4.19960000e+00 2.21070000e+00 6.87660000e-01 3.01740000e-01 9.67910000e-02 4.46030000e-02 2.51230000e-02 1.60560000e-02 8.27920000e-03 5.14720000e-03 2.35710000e-03] total = [ 2.05040000e+06 1.61550000e+06 1.65550000e+06 8.88770000e+05 4.53490000e+05 1.68190000e+05 8.13270000e+04 5.17250000e+04 1.49160000e+05 1.38260000e+05 1.31030000e+05 1.74480000e+05 1.54310000e+05 1.74570000e+05 1.38050000e+05 6.53420000e+04 3.62260000e+04 1.21010000e+04 5.47390000e+03 1.76110000e+03 1.18440000e+03 6.94710000e+03 4.82000000e+03 2.67470000e+03 1.62540000e+03 7.33080000e+02 3.91040000e+02 1.23240000e+02 5.42990000e+01 1.74660000e+01 8.06430000e+00 4.55320000e+00 2.91800000e+00 1.51280000e+00 9.45100000e-01 4.36410000e-01] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.78910000e+03 4.04000000e+03 2.26190000e+03 1.38070000e+03 6.26310000e+02 3.35080000e+02 1.05950000e+02 4.67420000e+01 1.50520000e+01 6.95390000e+00 3.92850000e+00 2.51890000e+00 1.30720000e+00 8.17240000e-01 3.77850000e-01] [Xe.binding] K = 34.5584 L1 = 5.4175 M5 = 0.6774 M4 = 0.6909 M1 = 1.1222 L3 = 4.7745 M3 = 0.9265 M2 = 0.9896 L2 = 5.1041 [Lu] JL1 = 1.1322077591 JL3 = 2.59671457906 JL2 = 1.34991528532 energy = [ 1.00000000e+00 1.50000000e+00 1.59600000e+00 1.60880000e+00 1.64920000e+00 1.66240000e+00 2.00000000e+00 2.01410000e+00 2.03020000e+00 2.25620000e+00 2.27430000e+00 2.46910000e+00 2.48890000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 9.23370000e+00 9.30760000e+00 1.00000000e+01 1.03630000e+01 1.04460000e+01 1.08370000e+01 1.09240000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 6.33970000e+01 6.39050000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 5.12161522235 M5 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.63310000e+05 7.19110000e+05 7.25210000e+05 4.57350000e+05 4.48970000e+05 4.39630000e+05 3.32260000e+05 3.25250000e+05 2.62660000e+05 2.57150000e+05 1.52810000e+05 6.54060000e+04 3.27450000e+04 1.82480000e+04 7.01410000e+03 4.28870000e+03 4.17190000e+03 3.24900000e+03 2.86660000e+03 2.78740000e+03 2.44880000e+03 2.38080000e+03 7.58820000e+02 2.59770000e+02 5.45690000e+01 1.75220000e+01 7.17280000e+00 3.43950000e+00 2.75310000e+00 2.66570000e+00 1.07470000e+00 4.36610000e-01 8.69550000e-02 2.86440000e-02 6.47100000e-03 2.42650000e-03 1.19420000e-03 6.92490000e-04 3.16090000e-04 1.80340000e-04 7.60500000e-05] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.65140000e+05 3.20520000e+05 3.14740000e+05 3.08300000e+05 2.34120000e+05 2.29260000e+05 1.85720000e+05 1.81800000e+05 1.09340000e+05 4.73880000e+04 2.39800000e+04 1.34860000e+04 5.25930000e+03 3.24060000e+03 3.15370000e+03 2.46640000e+03 2.18040000e+03 2.12100000e+03 1.86710000e+03 1.81610000e+03 5.90120000e+02 2.05960000e+02 4.46090000e+01 1.46780000e+01 6.13260000e+00 2.99280000e+00 2.40850000e+00 2.33390000e+00 9.62390000e-01 3.99850000e-01 8.26780000e-02 2.77790000e-02 6.33110000e-03 2.34240000e-03 1.12550000e-03 6.40790000e-04 2.76300000e-04 1.53830000e-04 5.79070000e-05] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.19580000e+04 2.52960000e+04 1.65000000e+04 1.15230000e+04 8.46290000e+03 5.05270000e+03 3.86840000e+03 3.81040000e+03 3.32270000e+03 3.10290000e+03 3.05570000e+03 2.84680000e+03 2.80320000e+03 1.49180000e+03 8.21150000e+02 3.40280000e+02 1.77090000e+02 1.05020000e+02 6.78490000e+01 5.93610000e+01 5.82190000e+01 3.34760000e+01 1.91030000e+01 6.74180000e+00 3.19010000e+00 1.11800000e+00 5.41900000e-01 3.15170000e-01 2.05780000e-01 1.08650000e-01 6.82720000e-02 3.13650000e-02] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.55370000e+05 1.29960000e+05 1.28450000e+05 1.12590000e+05 1.11100000e+05 8.09300000e+04 4.80130000e+04 3.06270000e+04 2.07260000e+04 1.07490000e+04 7.62500000e+03 7.47800000e+03 6.26870000e+03 5.73790000e+03 5.62510000e+03 5.13070000e+03 5.02870000e+03 2.20840000e+03 1.00640000e+03 3.13760000e+02 1.32300000e+02 6.64960000e+01 3.75290000e+01 3.15250000e+01 3.07370000e+01 1.50000000e+01 7.30150000e+00 1.96250000e+00 7.79270000e-01 2.20270000e-01 9.40640000e-02 5.03620000e-02 3.10590000e-02 1.51990000e-02 9.14900000e-03 3.97610000e-03] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.36550000e+04 4.79010000e+04 4.74960000e+04 3.68180000e+04 2.38020000e+04 1.59840000e+04 1.12230000e+04 6.15890000e+03 4.48010000e+03 4.40030000e+03 3.73750000e+03 3.44150000e+03 3.37830000e+03 3.10040000e+03 3.04290000e+03 1.41080000e+03 6.74850000e+02 2.25570000e+02 1.00130000e+02 5.24560000e+01 3.06580000e+01 2.60320000e+01 2.54220000e+01 1.29760000e+01 6.61460000e+00 1.93760000e+00 8.17170000e-01 2.49600000e-01 1.11450000e-01 6.12730000e-02 3.84040000e-02 1.91830000e-02 1.16350000e-02 5.12170000e-03] total = [ 9.22720000e+05 4.10680000e+05 3.60670000e+05 6.17970000e+05 1.05560000e+06 1.22120000e+06 9.99980000e+05 9.82450000e+05 1.11820000e+06 8.66520000e+05 9.03790000e+05 7.47880000e+05 7.66030000e+05 4.94230000e+05 2.46350000e+05 1.41260000e+05 8.90180000e+04 4.24570000e+04 2.92200000e+04 7.58760000e+04 6.29890000e+04 5.72510000e+04 7.72840000e+04 7.06010000e+04 7.99350000e+04 3.54110000e+04 1.65060000e+04 5.52190000e+03 2.50670000e+03 1.35100000e+03 8.12850000e+02 6.96870000e+02 3.56910000e+03 1.97810000e+03 1.09240000e+03 3.63660000e+02 1.65770000e+02 5.56800000e+01 2.64200000e+01 1.51920000e+01 9.85760000e+00 5.17930000e+00 3.25120000e+00 1.49630000e+00] JM2 = 1.04301112496 JM3 = 1.13817497074 K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.88760000e+03 1.61500000e+03 8.98470000e+02 3.01650000e+02 1.37980000e+02 4.64860000e+01 2.20970000e+01 1.27240000e+01 8.26620000e+00 4.35190000e+00 2.73580000e+00 1.26190000e+00] JM1 = 1.02426859924 M = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.63310000e+05 7.19110000e+05 8.90360000e+05 7.77870000e+05 7.63710000e+05 9.03300000e+05 6.96340000e+05 7.36610000e+05 6.08870000e+05 6.29500000e+05 4.05190000e+05 2.01110000e+05 1.14860000e+05 7.21460000e+04 3.42340000e+04 2.35030000e+04 2.30140000e+04 1.90440000e+04 1.73290000e+04 1.69670000e+04 1.53940000e+04 1.50720000e+04 6.45990000e+03 2.96810000e+03 9.78790000e+02 4.41720000e+02 2.37280000e+02 1.42470000e+02 1.22080000e+02 1.19380000e+02 6.34890000e+01 3.38560000e+01 1.08120000e+01 4.84290000e+00 1.60070000e+00 7.52180000e-01 4.29130000e-01 2.76570000e-01 1.43620000e-01 8.93910000e-02 4.05970000e-02] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.72600000e+04 3.92800000e+04 3.56650000e+04 5.61450000e+04 5.14110000e+04 6.11450000e+04 2.73190000e+04 1.27740000e+04 4.28570000e+03 1.94720000e+03 1.04990000e+03 6.31830000e+02 5.41700000e+02 5.29750000e+02 2.82270000e+02 1.50730000e+02 4.82090000e+01 2.16070000e+01 7.14610000e+00 3.36010000e+00 1.91830000e+00 1.23710000e+00 6.43380000e-01 4.00810000e-01 1.82360000e-01] JM4 = 1.15687760515 JM5 = 1.71339451576 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.12150000e+04 1.96560000e+04 1.92010000e+04 8.41010000e+03 3.77710000e+03 1.17230000e+03 4.98220000e+02 2.53380000e+02 1.44970000e+02 1.22370000e+02 1.19400000e+02 5.96160000e+01 2.98280000e+01 8.50500000e+00 3.53570000e+00 1.06400000e+00 4.71590000e-01 2.58190000e-01 1.61400000e-01 8.02750000e-02 4.86080000e-02 2.13390000e-02] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.72600000e+04 3.92800000e+04 3.56650000e+04 3.49300000e+04 3.17560000e+04 3.11020000e+04 1.26810000e+04 5.42830000e+03 1.57240000e+03 6.34580000e+02 3.09880000e+02 1.71280000e+02 1.43030000e+02 1.39340000e+02 6.65620000e+01 3.18220000e+01 8.33600000e+00 3.26530000e+00 9.10290000e-01 3.86140000e-01 2.05960000e-01 1.26720000e-01 6.20110000e-02 3.72720000e-02 1.62290000e-02] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.08420000e+04 6.22800000e+03 3.56880000e+03 1.54100000e+03 8.14420000e+02 4.86680000e+02 3.15580000e+02 2.76300000e+02 2.71000000e+02 1.56090000e+02 8.90780000e+01 3.13680000e+01 1.48060000e+01 5.17180000e+00 2.50240000e+00 1.45410000e+00 9.48960000e-01 5.01090000e-01 3.14930000e-01 1.44790000e-01] all other = [ 9.22720000e+05 4.10680000e+05 3.60670000e+05 3.54660000e+05 3.36520000e+05 3.30870000e+05 2.22120000e+05 2.18730000e+05 2.14940000e+05 1.70180000e+05 1.67180000e+05 1.39010000e+05 1.36530000e+05 8.90370000e+04 4.52400000e+04 2.64000000e+04 1.68730000e+04 8.22330000e+03 5.71720000e+03 5.60230000e+03 4.66460000e+03 4.25710000e+03 4.17090000e+03 3.79530000e+03 3.71820000e+03 1.63180000e+03 7.63760000e+02 2.57410000e+02 1.17730000e+02 6.38010000e+01 3.85530000e+01 3.30940000e+01 3.23700000e+01 1.73310000e+01 9.29530000e+00 2.99430000e+00 1.34770000e+00 4.47580000e-01 2.10880000e-01 1.20500000e-01 7.77330000e-02 4.04260000e-02 2.51740000e-02 1.14430000e-02] [Lu.binding] K = 63.4607 L1 = 10.848 M5 = 1.5976 M4 = 1.6509 M1 = 2.4716 L3 = 9.2429 M3 = 2.0161 M2 = 2.2585 L2 = 10.3737 [Cs] JM1 = 1.02803180915 JL1 = 1.12902562697 JL3 = 2.90089546232 JL2 = 1.33918601829 JM2 = 1.04002617516 energy = [ 1.00000000e+00 1.05870000e+00 1.06710000e+00 1.19540000e+00 1.20500000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 5.00090000e+00 5.04090000e+00 5.35800000e+00 5.40090000e+00 5.67980000e+00 5.72530000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 3.59530000e+01 3.62400000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 0.00000000e+00 0.00000000e+00 1.03850000e+05 9.48240000e+04 9.40080000e+04 7.12650000e+04 4.66510000e+04 2.23460000e+04 1.23390000e+04 7.51660000e+03 7.51360000e+03 7.37750000e+03 6.40880000e+03 6.29120000e+03 5.59200000e+03 5.48780000e+03 4.90920000e+03 2.41870000e+03 1.35810000e+03 4.49250000e+02 1.96630000e+02 5.83830000e+01 3.34060000e+01 3.25880000e+01 2.39430000e+01 1.18300000e+01 6.60480000e+00 2.61040000e+00 1.26610000e+00 3.41540000e-01 1.36770000e-01 3.92150000e-02 1.69000000e-02 9.07050000e-03 5.58670000e-03 2.72740000e-03 1.62920000e-03 7.04570000e-04] M = [ 1.73660000e+06 1.53930000e+06 1.61720000e+06 1.27720000e+06 1.32320000e+06 8.09890000e+05 4.12000000e+05 1.51680000e+05 7.29430000e+04 4.09130000e+04 4.08950000e+04 4.00530000e+04 3.41480000e+04 3.34410000e+04 2.92980000e+04 2.86890000e+04 2.53570000e+04 1.18050000e+04 6.47550000e+03 2.14100000e+03 9.65420000e+02 3.09990000e+02 1.85820000e+02 1.81660000e+02 1.37260000e+02 7.26390000e+01 4.30750000e+01 1.88110000e+01 9.86970000e+00 3.05590000e+00 1.33810000e+00 4.28500000e-01 1.97350000e-01 1.11090000e-01 7.09860000e-02 3.65850000e-02 2.27360000e-02 1.03970000e-02] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 9.54830000e+04 8.20400000e+04 1.24820000e+05 1.10250000e+05 1.29810000e+05 1.16190000e+05 5.56800000e+04 3.09620000e+04 1.03900000e+04 4.71150000e+03 1.51890000e+03 9.11380000e+02 8.91040000e+02 6.73590000e+02 3.56740000e+02 2.11640000e+02 9.24600000e+01 4.85120000e+01 1.50150000e+01 6.57180000e+00 2.10340000e+00 9.68550000e-01 5.45420000e-01 3.48580000e-01 1.79760000e-01 1.11770000e-01 5.11650000e-02] M5 = [ 8.77880000e+05 7.67350000e+05 7.52830000e+05 5.74670000e+05 5.63470000e+05 3.16250000e+05 1.39880000e+05 4.05860000e+04 1.59630000e+04 7.51170000e+03 7.50720000e+03 7.30440000e+03 5.91660000e+03 5.75500000e+03 4.82870000e+03 4.69590000e+03 3.98370000e+03 1.41890000e+03 6.20840000e+02 1.30790000e+02 4.16880000e+01 7.96690000e+00 3.75510000e+00 3.63210000e+00 2.40320000e+00 9.40090000e-01 4.35550000e-01 1.29480000e-01 5.08390000e-02 9.60120000e-03 3.06510000e-03 6.65860000e-04 2.46730000e-04 1.20290000e-04 6.92580000e-05 3.18060000e-05 1.84800000e-05 7.77970000e-06] M4 = [ 6.00070000e+05 5.25690000e+05 5.15890000e+05 3.95000000e+05 3.87430000e+05 2.19170000e+05 9.77930000e+04 2.87010000e+04 1.13860000e+04 5.39480000e+03 5.39160000e+03 5.24730000e+03 4.25920000e+03 4.14400000e+03 3.48260000e+03 3.38770000e+03 2.87840000e+03 1.03580000e+03 4.57150000e+02 9.80510000e+01 3.17150000e+01 6.20820000e+00 2.96170000e+00 2.86640000e+00 1.90980000e+00 7.59660000e-01 3.57050000e-01 1.08670000e-01 4.34520000e-02 8.44930000e-03 2.73320000e-03 5.95600000e-04 2.15400000e-04 1.02100000e-04 5.73660000e-05 2.43430000e-05 1.31910000e-05 5.14100000e-06] L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.45170000e+04 3.95880000e+04 3.87420000e+04 3.44680000e+04 1.60030000e+04 8.56210000e+03 2.62150000e+03 1.09620000e+03 3.08470000e+02 1.73010000e+02 1.68630000e+02 1.22690000e+02 5.94250000e+01 3.27160000e+01 1.26920000e+01 6.08290000e+00 1.61340000e+00 6.40440000e-01 1.82020000e-01 7.80010000e-02 4.17460000e-02 2.56560000e-02 1.24960000e-02 7.45810000e-03 3.22410000e-03] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 9.54830000e+04 8.20400000e+04 8.02980000e+04 7.06640000e+04 6.92610000e+04 6.13840000e+04 2.73340000e+04 1.42900000e+04 4.19280000e+03 1.70070000e+03 4.57380000e+02 2.51080000e+02 2.44490000e+02 1.75720000e+02 8.26980000e+01 4.44060000e+01 1.65220000e+01 7.65160000e+00 1.90170000e+00 7.21270000e-01 1.93890000e-01 8.08280000e-02 4.27520000e-02 2.61990000e-02 1.28400000e-02 7.75540000e-03 3.42510000e-03] M3 = [ 2.58620000e+05 2.46280000e+05 2.44600000e+05 2.12700000e+05 2.10320000e+05 1.53030000e+05 9.45420000e+04 4.29050000e+04 2.29310000e+04 1.36500000e+04 1.36450000e+04 1.33880000e+04 1.15590000e+04 1.13370000e+04 1.00230000e+04 9.82850000e+03 8.75330000e+03 4.19200000e+03 2.30350000e+03 7.31700000e+02 3.10730000e+02 8.81400000e+01 4.93420000e+01 4.80860000e+01 3.48950000e+01 1.67440000e+01 9.11470000e+00 3.45300000e+00 1.61760000e+00 4.08680000e-01 1.56340000e-01 4.23980000e-02 1.77210000e-02 9.39450000e-03 5.76230000e-03 2.82520000e-03 1.70890000e-03 7.54400000e-04] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.18090000e+04 2.03370000e+04 1.23430000e+04 8.10980000e+03 3.57530000e+03 1.91460000e+03 7.53010000e+02 4.87300000e+02 4.77920000e+02 3.75190000e+02 2.14610000e+02 1.34520000e+02 6.32460000e+01 3.47780000e+01 1.15000000e+01 5.21010000e+00 1.72750000e+00 8.09720000e-01 4.60920000e-01 2.96720000e-01 1.54420000e-01 9.65540000e-02 4.45160000e-02] JK = 5.82335958005 M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 6.79610000e+04 5.01670000e+04 3.31340000e+04 1.71390000e+04 1.03240000e+04 6.84000000e+03 6.83770000e+03 6.73610000e+03 6.00410000e+03 5.91380000e+03 5.37110000e+03 5.28940000e+03 4.83200000e+03 2.73940000e+03 1.73590000e+03 7.31240000e+02 3.84660000e+02 1.49290000e+02 9.63530000e+01 9.44920000e+01 7.41110000e+01 4.23640000e+01 2.65630000e+01 1.25100000e+01 6.89170000e+00 2.28760000e+00 1.03920000e+00 3.45620000e-01 1.62270000e-01 9.24030000e-02 5.95100000e-02 3.09770000e-02 1.93660000e-02 8.92540000e-03] all other = [ 3.28460000e+05 2.94500000e+05 2.89990000e+05 2.31820000e+05 2.28140000e+05 1.45100000e+05 7.75040000e+04 3.04690000e+04 1.52660000e+04 8.80370000e+03 8.79990000e+03 8.62650000e+03 7.40510000e+03 7.25830000e+03 6.39430000e+03 6.26680000e+03 5.56610000e+03 2.66160000e+03 1.48680000e+03 5.05730000e+02 2.31860000e+02 7.58590000e+01 4.57940000e+01 4.47830000e+01 3.39560000e+01 1.80990000e+01 1.07890000e+01 4.74380000e+00 2.50100000e+00 7.79120000e-01 3.42360000e-01 1.10040000e-01 5.07730000e-02 2.86200000e-02 1.83010000e-02 9.44090000e-03 5.86960000e-03 2.68660000e-03] total = [ 2.06500000e+06 1.83380000e+06 1.90720000e+06 1.50900000e+06 1.55130000e+06 9.54990000e+05 4.89500000e+05 1.82150000e+05 8.82090000e+04 4.97170000e+04 4.96950000e+04 1.44160000e+05 1.23590000e+05 1.65510000e+05 1.45940000e+05 1.64770000e+05 1.47110000e+05 7.01460000e+04 3.89240000e+04 1.30360000e+04 5.90880000e+03 1.90470000e+03 1.14300000e+03 6.65610000e+03 5.11910000e+03 2.85300000e+03 1.73670000e+03 7.85610000e+02 4.19950000e+02 1.32770000e+02 5.86150000e+01 1.89010000e+01 8.74080000e+00 4.94020000e+00 3.16820000e+00 1.64370000e+00 1.02710000e+00 4.74150000e-01] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.53860000e+03 4.27420000e+03 2.40550000e+03 1.47120000e+03 6.69590000e+02 3.59070000e+02 1.13920000e+02 5.03630000e+01 1.62600000e+01 7.52410000e+00 4.25510000e+00 2.73030000e+00 1.41790000e+00 8.86740000e-01 4.09900000e-01] [Cs.binding] K = 35.9885 L1 = 5.6855 M5 = 0.7328 M4 = 0.7476 M1 = 1.1966 L3 = 5.0059 M3 = 0.9906 M2 = 1.0597 L2 = 5.3634 [Cr] energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 5.95170000e+00 5.99930000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 1.49150000e+04 5.32370000e+03 2.44130000e+03 7.61190000e+02 3.17820000e+02 1.57480000e+02 8.97900000e+01 8.74870000e+01 8.74550000e+01 3.37560000e+01 1.58300000e+01 3.84150000e+00 1.36830000e+00 3.10540000e-01 1.06680000e-01 4.63300000e-02 2.34000000e-02 7.98000000e-03 3.48370000e-03 7.92560000e-04 2.86030000e-04 7.25070000e-05 2.90530000e-05 1.48770000e-05 8.86120000e-06 4.14200000e-06 2.41450000e-06 1.00490000e-06] M = [ 6.52050000e+04 2.44570000e+04 1.18780000e+04 4.15240000e+03 1.92780000e+03 1.05150000e+03 6.51280000e+02 6.37090000e+02 6.36890000e+02 2.85950000e+02 1.52480000e+02 4.77750000e+01 2.06750000e+01 6.22940000e+00 2.62210000e+00 1.33140000e+00 7.62190000e-01 3.14160000e-01 1.57430000e-01 4.48370000e-02 1.85370000e-02 5.51150000e-03 2.42780000e-03 1.33030000e-03 8.36230000e-04 4.25130000e-04 2.64190000e-04 1.23190000e-04] L = [ 5.73310000e+05 2.07640000e+05 9.79770000e+04 3.29960000e+04 1.49890000e+04 8.06630000e+03 4.95210000e+03 4.84230000e+03 4.84080000e+03 2.14640000e+03 1.13470000e+03 3.50840000e+02 1.50730000e+02 4.50540000e+01 1.88960000e+01 9.56840000e+00 5.46660000e+00 2.24740000e+00 1.12440000e+00 3.19450000e-01 1.31900000e-01 3.91810000e-02 1.72510000e-02 9.44970000e-03 5.93930000e-03 3.01920000e-03 1.87590000e-03 8.74590000e-04] M5 = [ 2.23820000e+03 5.10250000e+02 1.70650000e+02 3.37530000e+01 1.02240000e+01 3.96430000e+00 1.87570000e+00 1.81230000e+00 1.81140000e+00 5.19140000e-01 1.93790000e-01 3.09140000e-02 8.21280000e-03 1.25080000e-03 3.26640000e-04 1.15250000e-04 4.92680000e-05 1.30100000e-05 4.70140000e-06 7.77200000e-07 2.30160000e-07 4.64360000e-08 1.65830000e-08 7.95120000e-09 4.61730000e-09 2.11160000e-09 1.25200000e-09 6.07190000e-10] M4 = [ 1.52370000e+03 3.48250000e+02 1.16700000e+02 2.32580000e+01 7.06780000e+00 2.74810000e+00 1.30340000e+00 1.25950000e+00 1.25880000e+00 3.62340000e-01 1.35790000e-01 2.18560000e-02 5.85230000e-03 9.02820000e-04 2.38410000e-04 8.49100000e-05 3.66330000e-05 9.81190000e-06 3.58160000e-06 6.01640000e-07 1.78260000e-07 3.52070000e-08 1.19680000e-08 5.47400000e-09 2.99320000e-09 1.23620000e-09 6.65320000e-10 2.82280000e-10] L2 = [ 1.59290000e+05 5.28810000e+04 2.30810000e+04 6.77630000e+03 2.73470000e+03 1.32660000e+03 7.45770000e+02 7.26200000e+02 7.25930000e+02 2.74610000e+02 1.27000000e+02 3.02010000e+01 1.06490000e+01 2.38730000e+00 8.15020000e-01 3.52510000e-01 1.77550000e-01 6.03190000e-02 2.62690000e-02 5.95480000e-03 2.14370000e-03 5.44610000e-04 2.18200000e-04 1.11750000e-04 6.65460000e-05 3.11110000e-05 1.81810000e-05 7.60160000e-06] L3 = [ 3.10630000e+05 1.02310000e+05 4.44090000e+04 1.29370000e+04 5.19070000e+03 2.50570000e+03 1.40300000e+03 1.36590000e+03 1.36540000e+03 5.12760000e+02 2.35650000e+02 5.52970000e+01 1.92800000e+01 4.24080000e+00 1.42450000e+00 6.07270000e-01 3.01920000e-01 1.00260000e-01 4.28270000e-02 9.36160000e-03 3.29210000e-03 8.13640000e-04 3.25490000e-04 1.68660000e-04 1.02560000e-04 5.01910000e-05 3.04180000e-05 1.38240000e-05] M3 = [ 2.90540000e+04 1.02950000e+04 4.69650000e+03 1.45310000e+03 6.03180000e+02 2.97410000e+02 1.68860000e+02 1.64500000e+02 1.64440000e+02 6.29940000e+01 2.93510000e+01 7.02880000e+00 2.47650000e+00 5.50000000e-01 1.85910000e-01 7.95620000e-02 3.96680000e-02 1.32180000e-02 5.65910000e-03 1.24080000e-03 4.36910000e-04 1.08310000e-04 4.33800000e-05 2.24960000e-05 1.36820000e-05 6.69040000e-06 4.07060000e-06 1.85250000e-06] L1 = [ 1.03390000e+05 5.24460000e+04 3.04870000e+04 1.32830000e+04 7.06360000e+03 4.23410000e+03 2.80340000e+03 2.75020000e+03 2.74950000e+03 1.35900000e+03 7.72030000e+02 2.65340000e+02 1.20810000e+02 3.84260000e+01 1.66570000e+01 8.60860000e+00 4.98710000e+00 2.08680000e+00 1.05530000e+00 3.04140000e-01 1.26470000e-01 3.78230000e-02 1.67070000e-02 9.16930000e-03 5.77020000e-03 2.93780000e-03 1.82730000e-03 8.53160000e-04] JK = 7.90819053048 M1 = [ 1.74740000e+04 7.97950000e+03 4.45310000e+03 1.88110000e+03 9.89460000e+02 5.89890000e+02 3.89450000e+02 3.82030000e+02 3.81930000e+02 1.88320000e+02 1.06970000e+02 3.68510000e+01 1.68160000e+01 5.36670000e+00 2.32890000e+00 1.20540000e+00 6.99030000e-01 2.92940000e-01 1.48280000e-01 4.28030000e-02 1.78140000e-02 5.33060000e-03 2.35540000e-03 1.29290000e-03 8.13680000e-04 4.14300000e-04 2.57700000e-04 1.20340000e-04] all other = [ 4.76040000e+02 2.15290000e+02 1.19600000e+02 5.06010000e+01 2.65760000e+01 1.58330000e+01 1.04490000e+01 1.02500000e+01 1.02470000e+01 5.05110000e+00 2.86870000e+00 9.88310000e-01 4.51000000e-01 1.43930000e-01 6.25280000e-02 3.23660000e-02 1.87720000e-02 7.86770000e-03 3.98280000e-03 1.14980000e-03 4.78580000e-04 1.43240000e-04 6.33150000e-05 3.47740000e-05 2.19040000e-05 1.11800000e-05 6.97860000e-06 3.30860000e-06] total = [ 6.38990000e+05 2.32310000e+05 1.09970000e+05 3.71990000e+04 1.69430000e+04 9.13370000e+03 5.61380000e+03 4.43950000e+04 4.43950000e+04 2.15760000e+04 1.18720000e+04 3.88050000e+03 1.70970000e+03 5.22790000e+02 2.21440000e+02 1.12710000e+02 6.45940000e+01 2.66430000e+01 1.33500000e+01 3.79830000e+00 1.56880000e+00 4.65850000e-01 2.05100000e-01 1.12380000e-01 7.06560000e-02 3.59500000e-02 2.23590000e-02 1.04460000e-02] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.89050000e+04 3.89070000e+04 1.91390000e+04 1.05820000e+04 3.48090000e+03 1.53780000e+03 4.71360000e+02 1.99860000e+02 1.01780000e+02 5.83460000e+01 2.40730000e+01 1.20640000e+01 3.43290000e+00 1.41790000e+00 4.21010000e-01 1.85360000e-01 1.01560000e-01 6.38590000e-02 3.24940000e-02 2.02120000e-02 9.44470000e-03] [Cr.binding] K = 5.9576 L1 = 0.6874 M5 = 0.0064 M4 = 0.0065 M1 = 0.0792 L3 = 0.5808 M3 = 0.0502 M2 = 0.0513 L2 = 0.5898 [Cu] JL1 = 1.11052454607 energy = [ 1.00000000e+00 1.08510000e+00 1.09380000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 8.93440000e+00 9.00590000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 2.87470000e+04 2.40340000e+04 2.36110000e+04 1.13120000e+04 5.49840000e+03 1.85110000e+03 8.15920000e+02 4.21220000e+02 2.41470000e+02 9.76020000e+01 6.83490000e+01 6.66020000e+01 4.73100000e+01 1.21670000e+01 4.50860000e+00 1.07440000e+00 3.81600000e-01 1.69690000e-01 8.72930000e-02 3.05650000e-02 1.35890000e-02 3.18160000e-03 1.16790000e-03 3.02000000e-04 1.22380000e-04 6.31740000e-05 3.78440000e-05 1.78190000e-05 1.04170000e-05 4.36790000e-06] M = [ 1.43000000e+05 1.17840000e+05 1.15620000e+05 5.36810000e+04 2.61040000e+04 9.17350000e+03 4.28850000e+03 2.35430000e+03 1.43380000e+03 6.48900000e+02 4.77110000e+02 4.66610000e+02 3.48080000e+02 1.10490000e+02 4.83640000e+01 1.48300000e+01 6.33160000e+00 3.25080000e+00 1.87610000e+00 7.84180000e-01 3.97090000e-01 1.15120000e-01 4.81410000e-02 1.45160000e-02 6.44590000e-03 3.54890000e-03 2.23720000e-03 1.14000000e-03 7.08350000e-04 3.29180000e-04] L = [ 9.71150000e+05 7.73820000e+05 8.74660000e+05 4.11720000e+05 2.00510000e+05 6.93540000e+04 3.19600000e+04 1.73490000e+04 1.04740000e+04 4.68400000e+03 3.43010000e+03 3.35370000e+03 2.49300000e+03 7.81920000e+02 3.39740000e+02 1.03290000e+02 4.38880000e+01 2.24590000e+01 1.29430000e+01 5.39380000e+00 2.72610000e+00 7.88080000e-01 3.29070000e-01 9.90620000e-02 4.39600000e-02 2.41980000e-02 1.52520000e-02 7.77060000e-03 4.82810000e-03 2.24360000e-03] M5 = [ 1.87480000e+04 1.42330000e+04 1.38530000e+04 4.61700000e+03 1.62720000e+03 3.51290000e+02 1.13170000e+02 4.54630000e+01 2.13420000e+01 6.30410000e+00 3.92020000e+00 3.78750000e+00 2.40690000e+00 4.06540000e-01 1.12330000e-01 1.77840000e-02 4.76400000e-03 1.71510000e-03 7.45400000e-04 2.01790000e-04 7.41520000e-05 1.25730000e-05 3.76790000e-06 7.68880000e-07 2.76030000e-07 1.32700000e-07 7.66970000e-08 3.49210000e-08 2.03710000e-08 8.83250000e-09] M4 = [ 1.28490000e+04 9.76180000e+03 9.50170000e+03 3.17560000e+03 1.12220000e+03 2.43230000e+02 7.86060000e+01 3.18340000e+01 1.49890000e+01 4.45170000e+00 2.77450000e+00 2.68110000e+00 1.70790000e+00 2.91350000e-01 8.11960000e-02 1.30500000e-02 3.54030000e-03 1.28810000e-03 5.65230000e-04 1.55380000e-04 5.77760000e-05 9.97610000e-06 3.00270000e-06 6.01530000e-07 2.07220000e-07 9.49850000e-08 5.21610000e-08 2.15410000e-08 1.15460000e-08 4.22220000e-09] L2 = [ 3.32220000e+05 2.62870000e+05 2.57400000e+05 1.15430000e+05 5.32270000e+04 1.66340000e+04 7.00270000e+03 3.50310000e+03 1.96340000e+03 7.70210000e+02 5.34090000e+02 5.20090000e+02 3.66300000e+02 9.16040000e+01 3.34050000e+01 7.82710000e+00 2.75260000e+00 1.21690000e+00 6.23410000e-01 2.17090000e-01 9.61900000e-02 2.24090000e-02 8.20210000e-03 2.11360000e-03 8.58690000e-04 4.42980000e-04 2.65250000e-04 1.24790000e-04 7.32120000e-05 3.06170000e-05] L3 = [ 6.38930000e+05 5.10950000e+05 5.00390000e+05 2.22900000e+05 1.01820000e+05 3.14610000e+04 1.31380000e+04 6.52980000e+03 3.63970000e+03 1.41460000e+03 9.77250000e+02 9.51360000e+02 6.67550000e+02 1.64280000e+02 5.91160000e+01 1.35490000e+01 4.67740000e+00 2.03450000e+00 1.02720000e+00 3.48770000e-01 1.51260000e-01 3.38280000e-02 1.20490000e-02 3.02420000e-03 1.21640000e-03 6.32620000e-04 3.85130000e-04 1.88650000e-04 1.14320000e-04 5.19350000e-05] M3 = [ 5.58670000e+04 4.66000000e+04 4.57700000e+04 2.17430000e+04 1.04890000e+04 3.49320000e+03 1.52740000e+03 7.83440000e+02 4.46640000e+02 1.78830000e+02 1.24740000e+02 1.21520000e+02 8.59900000e+01 2.17540000e+01 7.95330000e+00 1.85430000e+00 6.44960000e-01 2.82180000e-01 1.43040000e-01 4.88260000e-02 2.12480000e-02 4.77310000e-03 1.70390000e-03 4.28510000e-04 1.72970000e-04 9.00230000e-05 5.47840000e-05 2.68230000e-05 1.63210000e-05 7.38520000e-06] L1 = [ 0.00000000e+00 0.00000000e+00 1.16870000e+05 7.33930000e+04 4.54720000e+04 2.12580000e+04 1.18200000e+04 7.31600000e+03 4.87130000e+03 2.49920000e+03 1.91880000e+03 1.88220000e+03 1.45910000e+03 5.26040000e+02 2.47220000e+02 8.19110000e+01 3.64580000e+01 1.92070000e+01 1.12930000e+01 4.82800000e+00 2.47860000e+00 7.31840000e-01 3.08810000e-01 9.39240000e-02 4.18850000e-02 2.31230000e-02 1.46010000e-02 7.45710000e-03 4.64060000e-03 2.16110000e-03] JK = 7.40750204415 M1 = [ 2.67870000e+04 2.32070000e+04 2.28810000e+04 1.28330000e+04 7.36820000e+03 3.23460000e+03 1.75330000e+03 1.07230000e+03 7.09350000e+02 3.61710000e+02 2.77320000e+02 2.72020000e+02 2.10660000e+02 7.58760000e+01 3.57090000e+01 1.18700000e+01 5.29680000e+00 2.79590000e+00 1.64450000e+00 7.04430000e-01 3.62130000e-01 1.07140000e-01 4.52630000e-02 1.37840000e-02 6.15010000e-03 3.39550000e-03 2.14440000e-03 1.09530000e-03 6.81580000e-04 3.17420000e-04] all other = [ 6.30760000e+02 5.44250000e+02 5.36380000e+02 2.96260000e+02 1.68970000e+02 7.36430000e+01 4.01480000e+01 2.45160000e+01 1.62040000e+01 8.25630000e+00 6.32900000e+00 6.20780000e+00 4.80690000e+00 1.73090000e+00 8.14590000e-01 2.70800000e-01 1.20840000e-01 6.37830000e-02 3.75560000e-02 1.60900000e-02 8.27260000e-03 2.44800000e-03 1.03430000e-03 3.15030000e-04 1.40610000e-04 7.76640000e-05 4.90800000e-05 2.51130000e-05 1.56710000e-05 7.38140000e-06] total = [ 1.11480000e+06 8.92200000e+05 9.90810000e+05 4.65700000e+05 2.26790000e+05 7.86010000e+04 3.62890000e+04 1.97280000e+04 1.19240000e+04 5.34120000e+03 3.91360000e+03 2.89900000e+04 2.26260000e+04 7.71060000e+03 3.49050000e+03 1.10330000e+03 4.77090000e+02 2.46440000e+02 1.42830000e+02 5.98910000e+01 3.03640000e+01 8.80550000e+00 3.68030000e+00 1.10860000e+00 4.92150000e-01 2.71020000e-01 1.70930000e-01 8.72160000e-02 5.42680000e-02 2.52890000e-02] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.51640000e+04 1.97800000e+04 6.81640000e+03 3.10150000e+03 9.84900000e+02 4.26740000e+02 2.20660000e+02 1.27970000e+02 5.36970000e+01 2.72330000e+01 7.89990000e+00 3.30210000e+00 9.94730000e-01 4.41600000e-01 2.43190000e-01 1.53390000e-01 7.82800000e-02 4.87160000e-02 2.27090000e-02] [Cu.binding] K = 8.9433 L1 = 1.0862 M5 = 0.0098 M4 = 0.0101 M1 = 0.1213 L3 = 0.9375 M3 = 0.0779 M2 = 0.0805 L2 = 0.9586 [La] JL1 = 1.13058078303 JL3 = 2.82031776392 JL2 = 1.3357485735 energy = [ 1.00000000e+00 1.12160000e+00 1.13050000e+00 1.20380000e+00 1.21340000e+00 1.34940000e+00 1.36020000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 5.47810000e+00 5.52200000e+00 5.89680000e+00 5.94400000e+00 6.00000000e+00 6.23630000e+00 6.28620000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 3.89080000e+01 3.92200000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 5.73600824974 M5 = [ 1.01290000e+06 7.74180000e+05 7.59520000e+05 6.51770000e+05 6.39040000e+05 4.93160000e+05 4.83400000e+05 3.74310000e+05 1.67650000e+05 4.94750000e+04 1.96850000e+04 9.34550000e+03 6.83730000e+03 6.65200000e+03 5.30030000e+03 5.15530000e+03 4.98950000e+03 4.35900000e+03 4.23870000e+03 1.79560000e+03 7.92140000e+02 1.69430000e+02 5.45270000e+01 1.05530000e+01 3.60230000e+00 3.48480000e+00 3.21050000e+00 1.26340000e+00 5.87920000e-01 1.75850000e-01 6.93410000e-02 1.31870000e-02 4.22790000e-03 9.27250000e-04 3.41090000e-04 1.66200000e-04 9.65000000e-05 4.45790000e-05 2.52330000e-05 1.08640000e-05] M4 = [ 6.92050000e+05 5.31020000e+05 5.21140000e+05 4.48330000e+05 4.39700000e+05 3.40150000e+05 3.33510000e+05 2.59720000e+05 1.17370000e+05 3.50540000e+04 1.40700000e+04 6.72920000e+03 4.93920000e+03 4.80660000e+03 3.83840000e+03 3.73450000e+03 3.61570000e+03 3.16340000e+03 3.07700000e+03 1.31520000e+03 5.85500000e+02 1.27580000e+02 4.16920000e+01 8.27080000e+00 2.87500000e+00 2.78280000e+00 2.56750000e+00 1.02790000e+00 4.85420000e-01 1.48750000e-01 5.97670000e-02 1.17150000e-02 3.80920000e-03 8.34280000e-04 3.03740000e-04 1.44340000e-04 8.06490000e-05 3.43370000e-05 1.90340000e-05 7.11410000e-06] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.83250000e+04 5.25350000e+04 3.48870000e+04 1.84000000e+04 1.11720000e+04 7.43970000e+03 6.26820000e+03 6.17470000e+03 5.45350000e+03 5.37130000e+03 5.27610000e+03 4.89930000e+03 4.82450000e+03 3.00760000e+03 1.91480000e+03 8.13440000e+02 4.30640000e+02 1.68650000e+02 9.01750000e+01 8.84330000e+01 8.42680000e+01 4.84140000e+01 3.04800000e+01 1.44440000e+01 7.99420000e+00 2.67480000e+00 1.22140000e+00 4.08920000e-01 1.92740000e-01 1.10040000e-01 7.09830000e-02 3.70110000e-02 2.31520000e-02 1.06640000e-02] M3 = [ 0.00000000e+00 0.00000000e+00 2.34970000e+05 2.20850000e+05 2.19230000e+05 1.91380000e+05 1.89130000e+05 1.62890000e+05 1.02970000e+05 4.75490000e+04 2.57440000e+04 1.54590000e+04 1.24420000e+04 1.22060000e+04 1.04160000e+04 1.02150000e+04 9.98350000e+03 9.07830000e+03 8.90090000e+03 4.83220000e+03 2.67650000e+03 8.62500000e+02 3.69870000e+02 1.06250000e+02 4.63870000e+01 4.52080000e+01 4.24210000e+01 2.04820000e+01 1.12030000e+01 4.27400000e+00 2.01230000e+00 5.12510000e-01 1.97020000e-01 5.37150000e-02 2.25520000e-02 1.19460000e-02 7.33090000e-03 3.59920000e-03 2.17390000e-03 9.59500000e-04] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 9.39490000e+04 8.52950000e+04 8.45820000e+04 7.47850000e+04 4.98860000e+04 2.45380000e+04 1.37750000e+04 8.48970000e+03 6.90560000e+03 6.78030000e+03 5.82480000e+03 5.71770000e+03 5.59390000e+03 5.10950000e+03 5.01430000e+03 2.79240000e+03 1.58340000e+03 5.32820000e+02 2.35910000e+02 7.11170000e+01 3.20990000e+01 3.13170000e+01 2.94630000e+01 1.46670000e+01 8.23620000e+00 3.28350000e+00 1.60260000e+00 4.36810000e-01 1.76060000e-01 5.08820000e-02 2.19970000e-02 1.18620000e-02 7.32060000e-03 3.58190000e-03 2.14490000e-03 9.28860000e-04] total = [ 2.09410000e+06 1.61850000e+06 1.82410000e+06 1.59380000e+06 1.66050000e+06 1.32710000e+06 1.36250000e+06 1.09870000e+06 5.66650000e+05 2.12200000e+05 1.03150000e+05 5.82810000e+04 4.60090000e+04 1.29760000e+05 1.10410000e+05 1.47480000e+05 1.44700000e+05 1.31030000e+05 1.48140000e+05 8.05390000e+04 4.46800000e+04 1.50590000e+04 6.85040000e+03 2.21800000e+03 1.06670000e+03 6.11860000e+03 5.80230000e+03 3.22730000e+03 1.97730000e+03 8.98090000e+02 4.82010000e+02 1.53380000e+02 6.79810000e+01 2.20340000e+01 1.02210000e+01 5.78890000e+00 3.71750000e+00 1.93160000e+00 1.20760000e+00 5.57170000e-01] JM2 = 1.04184966746 JM3 = 1.12703120173 K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.07570000e+03 4.81590000e+03 2.70370000e+03 1.66610000e+03 7.61720000e+02 4.10280000e+02 1.31080000e+02 5.81880000e+01 1.88850000e+01 8.76730000e+00 4.96880000e+00 3.19290000e+00 1.66080000e+00 1.03920000e+00 4.80170000e-01] JM1 = 1.02667470424 M = [ 1.70490000e+06 1.30520000e+06 1.51560000e+06 1.32100000e+06 1.39190000e+06 1.11000000e+06 1.14890000e+06 9.24250000e+05 4.72760000e+05 1.75020000e+05 8.44460000e+04 4.74630000e+04 3.73920000e+04 3.66200000e+04 3.08330000e+04 3.01940000e+04 2.94590000e+04 2.66100000e+04 2.60550000e+04 1.37430000e+04 7.55230000e+03 2.50580000e+03 1.13260000e+03 3.64840000e+02 1.75140000e+02 1.71230000e+02 1.61930000e+02 8.58550000e+01 5.09920000e+01 2.23260000e+01 1.17380000e+01 3.64900000e+00 1.60260000e+00 5.15280000e-01 2.37940000e-01 1.34160000e-01 8.58120000e-02 4.42710000e-02 2.75150000e-02 1.25700000e-02] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 8.46960000e+04 7.24200000e+04 1.10270000e+05 1.08380000e+05 9.82050000e+04 1.15990000e+05 6.35070000e+04 3.52870000e+04 1.19260000e+04 5.42900000e+03 1.75830000e+03 8.45560000e+02 8.26700000e+02 7.81910000e+02 4.15030000e+02 2.46650000e+02 1.08060000e+02 5.68270000e+01 1.76640000e+01 7.75500000e+00 2.49260000e+00 1.15080000e+00 6.49160000e-01 4.15330000e-01 2.14400000e-01 1.33320000e-01 6.09760000e-02] L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.94130000e+04 3.92790000e+04 3.56090000e+04 3.48100000e+04 1.86360000e+04 9.98500000e+03 3.10800000e+03 1.31030000e+03 3.73390000e+02 1.63650000e+02 1.59530000e+02 1.49770000e+02 7.30050000e+01 4.03870000e+01 1.57850000e+01 7.60690000e+00 2.03630000e+00 8.13030000e-01 2.32750000e-01 1.00170000e-01 5.37630000e-02 3.31100000e-02 1.61700000e-02 9.66780000e-03 4.18970000e-03] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 8.46960000e+04 7.24200000e+04 7.08530000e+04 6.91020000e+04 6.25970000e+04 6.13450000e+04 3.16270000e+04 1.65620000e+04 4.92480000e+03 2.01240000e+03 5.46810000e+02 2.31870000e+02 2.25790000e+02 2.11460000e+02 1.00010000e+02 5.39130000e+01 2.01760000e+01 9.38370000e+00 2.34860000e+00 8.94570000e-01 2.41630000e-01 1.00970000e-01 5.34680000e-02 3.27810000e-02 1.60650000e-02 9.69700000e-03 4.27200000e-03] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.98410000e+04 1.32440000e+04 8.74010000e+03 3.89280000e+03 2.10630000e+03 8.38140000e+02 4.50040000e+02 4.41380000e+02 4.20680000e+02 2.42020000e+02 1.52350000e+02 7.21020000e+01 3.98370000e+01 1.32790000e+01 6.04740000e+00 2.01820000e+00 9.49670000e-01 5.41930000e-01 3.49440000e-01 1.82160000e-01 1.13960000e-01 5.25140000e-02] all other = [ 3.89140000e+05 3.13300000e+05 3.08510000e+05 2.72890000e+05 2.68630000e+05 2.17080000e+05 2.13580000e+05 1.74490000e+05 9.38890000e+04 3.71870000e+04 1.87060000e+04 1.08180000e+04 8.61660000e+03 8.44630000e+03 7.16230000e+03 7.01980000e+03 6.85560000e+03 6.21810000e+03 6.09380000e+03 3.28900000e+03 1.84040000e+03 6.28130000e+02 2.88740000e+02 9.48360000e+01 4.59830000e+01 4.49690000e+01 4.25570000e+01 2.27290000e+01 1.35710000e+01 5.98470000e+00 3.16070000e+00 9.89020000e-01 4.35930000e-01 1.40710000e-01 6.50950000e-02 3.67570000e-02 2.35290000e-02 1.21490000e-02 7.55480000e-03 3.45470000e-03] [La.binding] K = 38.9472 L1 = 6.2425 M5 = 0.8471 M4 = 0.8649 M1 = 1.3507 L3 = 5.4836 M3 = 1.1227 M2 = 1.205 L2 = 5.9026 [Li] energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0.] L = [ 3.72190000e+01 1.07300000e+01 4.32210000e+00 1.18860000e+00 4.66070000e-01 2.24830000e-01 1.22980000e-01 4.74120000e-02 2.25160000e-02 5.77240000e-03 2.18600000e-03 5.53400000e-04 2.08270000e-04 9.75560000e-05 5.25020000e-05 1.97860000e-05 9.30790000e-06 2.39540000e-06 9.30940000e-07 2.57610000e-07 1.09130000e-07 5.84980000e-08 3.63480000e-08 1.83880000e-08 1.15230000e-08 5.63600000e-09] L1 = [ 3.72190000e+01 1.07300000e+01 4.32210000e+00 1.18860000e+00 4.66070000e-01 2.24830000e-01 1.22980000e-01 4.74120000e-02 2.25160000e-02 5.77240000e-03 2.18600000e-03 5.53400000e-04 2.08270000e-04 9.75560000e-05 5.25020000e-05 1.97860000e-05 9.30790000e-06 2.39540000e-06 9.30940000e-07 2.57610000e-07 1.09130000e-07 5.84980000e-08 3.63480000e-08 1.83880000e-08 1.15230000e-08 5.63600000e-09] all other = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0.] total = [ 2.69090000e+03 7.64110000e+02 3.07970000e+02 8.35430000e+01 3.27300000e+01 1.57120000e+01 8.60320000e+00 3.30500000e+00 1.56740000e+00 4.01010000e-01 1.51690000e-01 3.84180000e-02 1.44570000e-02 6.77080000e-03 3.64420000e-03 1.37360000e-03 6.46460000e-04 1.66550000e-04 6.48080000e-05 1.79610000e-05 7.61560000e-06 4.08150000e-06 2.53380000e-06 1.27630000e-06 7.93890000e-07 3.76440000e-07] K = [ 2.65360000e+03 7.53380000e+02 3.03650000e+02 8.23540000e+01 3.22640000e+01 1.54870000e+01 8.48020000e+00 3.25760000e+00 1.54490000e+00 3.95230000e-01 1.49510000e-01 3.78650000e-02 1.42480000e-02 6.67330000e-03 3.59170000e-03 1.35380000e-03 6.37150000e-04 1.64150000e-04 6.38770000e-05 1.77040000e-05 7.50650000e-06 4.02300000e-06 2.49750000e-06 1.25790000e-06 7.82370000e-07 3.70800000e-07] [Li.binding] K = 0.0598 L1 = 0.0055 [Tl] JL1 = 1.13224718386 JL3 = 2.46573746247 JL2 = 1.36567564667 energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 2.39120000e+00 2.41030000e+00 2.49110000e+00 2.51110000e+00 2.94160000e+00 2.96510000e+00 3.00000000e+00 3.40700000e+00 3.43430000e+00 3.67750000e+00 3.70700000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.26470000e+01 1.27480000e+01 1.47320000e+01 1.48500000e+01 1.50000000e+01 1.53240000e+01 1.54460000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 8.57670000e+01 8.64540000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 4.68357005474 M5 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.70110000e+05 4.38760000e+05 4.32360000e+05 2.88280000e+05 2.82030000e+05 2.73080000e+05 1.91480000e+05 1.87230000e+05 1.55440000e+05 1.52100000e+05 1.22980000e+05 6.37200000e+04 3.64140000e+04 1.45730000e+04 6.96050000e+03 3.11920000e+03 3.03400000e+03 1.82770000e+03 1.77680000e+03 1.71480000e+03 1.58970000e+03 1.54530000e+03 6.08800000e+02 1.34460000e+02 4.46790000e+01 1.87560000e+01 9.17050000e+00 2.94870000e+00 2.24010000e+00 2.17070000e+00 1.22270000e+00 2.51460000e-01 8.41830000e-02 1.94230000e-02 7.34540000e-03 3.62770000e-03 2.11070000e-03 9.56020000e-04 5.51560000e-04 2.22010000e-04] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.18570000e+05 2.06520000e+05 2.02190000e+05 1.95970000e+05 1.38510000e+05 1.35490000e+05 1.12040000e+05 1.10030000e+05 8.96030000e+04 4.70800000e+04 2.72210000e+04 1.10990000e+04 5.38110000e+03 2.45150000e+03 2.38590000e+03 1.45260000e+03 1.41300000e+03 1.36470000e+03 1.26710000e+03 1.23240000e+03 4.95590000e+02 1.13400000e+02 3.87420000e+01 1.66430000e+01 8.29930000e+00 2.75570000e+00 2.10990000e+00 2.04640000e+00 1.17160000e+00 2.51400000e-01 8.61810000e-02 2.02080000e-02 7.59470000e-03 3.68890000e-03 2.10120000e-03 9.23300000e-04 5.08380000e-04 1.97960000e-04] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.02470000e+04 1.83530000e+04 1.34200000e+04 1.02510000e+04 6.40570000e+03 4.33270000e+03 2.81490000e+03 2.77330000e+03 2.10470000e+03 2.07260000e+03 2.03280000e+03 1.95050000e+03 1.92070000e+03 1.15070000e+03 4.94560000e+02 2.64130000e+02 1.59830000e+02 1.04980000e+02 5.31580000e+01 4.49560000e+01 4.40980000e+01 3.09490000e+01 1.13200000e+01 5.49000000e+00 1.98810000e+00 9.83910000e-01 5.80260000e-01 3.82410000e-01 2.04110000e-01 1.28780000e-01 5.91300000e-02] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.04330000e+05 1.03130000e+05 8.55140000e+04 8.44090000e+04 7.49010000e+04 7.38250000e+04 6.42170000e+04 4.29520000e+04 2.98780000e+04 1.62400000e+04 9.78470000e+03 5.58150000e+03 5.47340000e+03 3.81740000e+03 3.74140000e+03 3.64780000e+03 3.45550000e+03 3.38610000e+03 1.72640000e+03 5.66400000e+02 2.47250000e+02 1.27520000e+02 7.34360000e+01 3.02500000e+01 2.43490000e+01 2.37500000e+01 1.50510000e+01 4.19270000e+00 1.70090000e+00 4.92650000e-01 2.12840000e-01 1.14570000e-01 7.07440000e-02 3.47010000e-02 2.07350000e-02 8.95180000e-03] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.24930000e+04 3.05700000e+04 3.03500000e+04 2.77850000e+04 1.99120000e+04 1.50030000e+04 8.88390000e+03 5.68610000e+03 3.43800000e+03 3.37770000e+03 2.43930000e+03 2.39520000e+03 2.34060000e+03 2.22800000e+03 2.18710000e+03 1.18350000e+03 4.25530000e+02 1.98320000e+02 1.07720000e+02 6.47680000e+01 2.86040000e+01 2.34230000e+01 2.28920000e+01 1.50410000e+01 4.64000000e+00 2.02170000e+00 6.42800000e-01 2.93940000e-01 1.64180000e-01 1.03970000e-01 5.26600000e-02 3.22430000e-02 1.43500000e-02] total = [ 1.69550000e+06 7.62660000e+05 4.13960000e+05 2.79270000e+05 4.44450000e+05 6.93590000e+05 8.01230000e+05 6.69620000e+05 7.60200000e+05 7.39290000e+05 5.40000000e+05 5.61830000e+05 4.77070000e+05 4.88740000e+05 4.08330000e+05 2.37120000e+05 1.50840000e+05 7.29080000e+04 4.10890000e+04 2.23130000e+04 5.50180000e+04 3.72680000e+04 5.08960000e+04 4.96680000e+04 4.71390000e+04 5.33730000e+04 2.75710000e+04 9.45160000e+03 4.36330000e+03 2.38020000e+03 1.44570000e+03 6.55210000e+02 5.40720000e+02 2.53250000e+03 1.72740000e+03 5.96990000e+02 2.77750000e+02 9.58730000e+01 4.62940000e+01 2.69420000e+01 1.76260000e+01 9.34890000e+00 5.88990000e+00 2.70900000e+00] JM2 = 1.04042592593 JM3 = 1.13527075057 K = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 2003.5 1373.6 481.52 225.24 78.149 37.849 22.078 14.472 7.6983 4.86 2.2415] JM1 = 1.02446181902 M = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.70110000e+05 4.38760000e+05 5.50920000e+05 4.94800000e+05 5.88550000e+05 5.72190000e+05 4.15500000e+05 4.39620000e+05 3.72950000e+05 3.86550000e+05 3.22940000e+05 1.87080000e+05 1.18770000e+05 5.72010000e+04 3.21450000e+04 1.74050000e+04 1.70440000e+04 1.16420000e+04 1.13990000e+04 1.11010000e+04 1.04910000e+04 1.02720000e+04 5.16500000e+03 1.73430000e+03 7.93110000e+02 4.30460000e+02 2.60650000e+02 1.17720000e+02 9.70780000e+01 9.49570000e+01 6.34360000e+01 2.06560000e+01 9.38290000e+00 3.16320000e+00 1.50560000e+00 8.66330000e-01 5.61340000e-01 2.93350000e-01 1.82810000e-01 8.28520000e-02] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.31660000e+04 2.23170000e+04 3.62550000e+04 3.54080000e+04 3.36600000e+04 4.01740000e+04 2.09150000e+04 7.20810000e+03 3.33500000e+03 1.82110000e+03 1.10680000e+03 5.01860000e+02 4.14210000e+02 4.05190000e+02 2.71040000e+02 8.84750000e+01 4.02350000e+01 1.35820000e+01 6.47220000e+00 3.72820000e+00 2.41820000e+00 1.26590000e+00 7.90130000e-01 3.58810000e-01] JM4 = 1.15519254891 JM5 = 1.59147061983 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.44020000e+04 1.41240000e+04 1.35430000e+04 1.32370000e+04 6.82070000e+03 2.25180000e+03 9.97490000e+02 5.23490000e+02 3.06900000e+02 1.30920000e+02 1.06390000e+02 1.03890000e+02 6.72750000e+01 2.00680000e+01 8.58610000e+00 2.67860000e+00 1.21330000e+00 6.73950000e-01 4.25350000e-01 2.14630000e-01 1.30970000e-01 5.81810000e-02] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.31660000e+04 2.23170000e+04 2.18530000e+04 2.12840000e+04 2.01160000e+04 1.96940000e+04 9.46500000e+03 2.85110000e+03 1.18200000e+03 5.88750000e+02 3.30660000e+02 1.31650000e+02 1.05190000e+02 1.02520000e+02 6.40580000e+01 1.72810000e+01 6.89150000e+00 1.96170000e+00 8.40440000e-01 4.50320000e-01 2.77280000e-01 1.35600000e-01 8.11430000e-02 3.49640000e-02] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 7.24210000e+03 4.62970000e+03 2.10520000e+03 1.15550000e+03 7.08890000e+02 4.69220000e+02 2.39300000e+02 2.02620000e+02 1.98770000e+02 1.39710000e+02 5.11250000e+01 2.47580000e+01 8.94150000e+00 4.41850000e+00 2.60390000e+00 1.71560000e+00 9.15720000e-01 5.78010000e-01 2.65670000e-01] all other = [ 1.69550000e+06 7.62660000e+05 4.13960000e+05 2.79270000e+05 2.74340000e+05 2.54830000e+05 2.50310000e+05 1.74820000e+05 1.71650000e+05 1.67110000e+05 1.24510000e+05 1.22210000e+05 1.04120000e+05 1.02180000e+05 8.53880000e+04 5.00340000e+04 3.20770000e+04 1.57070000e+04 8.94400000e+03 4.90820000e+03 4.80860000e+03 3.31010000e+03 3.24240000e+03 3.15930000e+03 2.98900000e+03 2.92770000e+03 1.49080000e+03 5.09100000e+02 2.35180000e+02 1.28600000e+02 7.82900000e+01 3.56350000e+01 2.94360000e+01 2.87980000e+01 1.93010000e+01 6.33410000e+00 2.89010000e+00 9.79150000e-01 4.67170000e-01 2.69210000e-01 1.74610000e-01 9.13520000e-02 5.69650000e-02 2.58310000e-02] [Tl.binding] K = 85.8527 L1 = 15.3391 M5 = 2.3936 M4 = 2.4936 M1 = 3.6812 L3 = 12.6596 M3 = 2.9445 M2 = 3.4104 L2 = 14.7472 [Tm] JL1 = 1.13212637835 JL3 = 2.62469757089 JL2 = 1.34760572388 energy = [ 1.00000000e+00 1.46810000e+00 1.47990000e+00 1.50000000e+00 1.51450000e+00 1.52660000e+00 1.86320000e+00 1.87810000e+00 2.00000000e+00 2.07360000e+00 2.09020000e+00 2.27610000e+00 2.29430000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 8.62920000e+00 8.69830000e+00 9.62020000e+00 9.69730000e+00 1.00000000e+01 1.00730000e+01 1.01540000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 5.94440000e+01 5.99200000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 5.20666431307 M5 = [ 0.00000000e+00 0.00000000e+00 3.33240000e+05 7.38850000e+05 8.04570000e+05 8.08690000e+05 4.86550000e+05 4.76530000e+05 4.04210000e+05 3.67470000e+05 3.59790000e+05 2.88860000e+05 2.82820000e+05 1.33620000e+05 5.65850000e+04 2.81210000e+04 1.55810000e+04 5.93370000e+03 4.57280000e+03 4.44830000e+03 3.12980000e+03 3.04330000e+03 2.73130000e+03 2.66190000e+03 2.58800000e+03 6.30670000e+02 2.14230000e+02 4.45110000e+01 1.41890000e+01 5.77780000e+00 2.86560000e+00 2.77420000e+00 2.75930000e+00 8.56980000e-01 3.46670000e-01 6.85950000e-02 2.25130000e-02 5.06580000e-03 1.89610000e-03 9.24180000e-04 5.38990000e-04 2.46950000e-04 1.41380000e-04 5.92430000e-05] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.04260000e+05 3.40180000e+05 3.33280000e+05 2.83410000e+05 2.58030000e+05 2.52720000e+05 2.03460000e+05 1.99210000e+05 9.53630000e+04 4.09300000e+04 2.05480000e+04 1.14820000e+04 4.43530000e+03 3.43090000e+03 3.33890000e+03 2.36190000e+03 2.29760000e+03 2.06530000e+03 2.01360000e+03 1.95860000e+03 4.88210000e+02 1.68950000e+02 3.61630000e+01 1.18050000e+01 4.90400000e+00 2.47200000e+00 2.39500000e+00 2.38240000e+00 7.61000000e-01 3.14680000e-01 6.45810000e-02 2.16010000e-02 4.89630000e-03 1.80580000e-03 8.65670000e-04 4.93030000e-04 2.11530000e-04 1.17450000e-04 4.45480000e-05] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.50970000e+04 2.44160000e+04 1.59120000e+04 1.10090000e+04 8.02300000e+03 4.75900000e+03 4.12930000e+03 4.06730000e+03 3.35470000e+03 3.30380000e+03 3.11390000e+03 3.07040000e+03 3.02340000e+03 1.38670000e+03 7.59210000e+02 3.12260000e+02 1.61620000e+02 9.54430000e+01 6.28590000e+01 6.16480000e+01 6.14490000e+01 3.01530000e+01 1.71360000e+01 6.00300000e+00 2.82630000e+00 9.84090000e-01 4.75060000e-01 2.75560000e-01 1.79600000e-01 9.46380000e-02 5.94230000e-02 2.73080000e-02] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.65430000e+05 1.47220000e+05 1.40610000e+05 1.39040000e+05 1.21740000e+05 1.20150000e+05 7.67920000e+04 4.47490000e+04 2.82720000e+04 1.89930000e+04 9.76870000e+03 8.13800000e+03 7.98130000e+03 6.23030000e+03 6.10800000e+03 5.65670000e+03 5.55410000e+03 5.44390000e+03 1.96840000e+03 8.89910000e+02 2.74470000e+02 1.14880000e+02 5.74300000e+01 3.32440000e+01 3.24110000e+01 3.22740000e+01 1.28180000e+01 6.21120000e+00 1.65710000e+00 6.55060000e-01 1.84240000e-01 7.84870000e-02 4.19740000e-02 2.58200000e-02 1.26580000e-02 7.62530000e-03 3.32090000e-03] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.82810000e+04 5.21300000e+04 5.16830000e+04 3.56230000e+04 2.24990000e+04 1.49280000e+04 1.03930000e+04 5.61710000e+03 4.74020000e+03 4.65560000e+03 3.69460000e+03 3.62660000e+03 3.37510000e+03 3.31790000e+03 3.25630000e+03 1.25350000e+03 5.93120000e+02 1.95410000e+02 8.58980000e+01 4.46770000e+01 2.66980000e+01 2.60680000e+01 2.59650000e+01 1.08970000e+01 5.52040000e+00 1.60050000e+00 6.70660000e-01 2.03240000e-01 9.03240000e-02 4.95040000e-02 3.09590000e-02 1.54240000e-02 9.33610000e-03 4.10190000e-03] total = [ 8.10250000e+05 3.79040000e+05 7.06080000e+05 1.10140000e+06 1.16000000e+06 1.36250000e+06 1.05590000e+06 1.20050000e+06 1.03130000e+06 9.47600000e+05 9.88180000e+05 8.13860000e+05 8.34020000e+05 4.44610000e+05 2.20690000e+05 1.26210000e+05 7.93740000e+04 3.77690000e+04 3.09990000e+04 8.13630000e+04 6.25450000e+04 8.42860000e+04 7.82470000e+04 7.67220000e+04 8.68590000e+04 3.16980000e+04 1.47550000e+04 4.90880000e+03 2.22200000e+03 1.19470000e+03 7.36460000e+02 3.83450000e+03 3.81560000e+03 1.79460000e+03 9.85360000e+02 3.25800000e+02 1.47910000e+02 4.94250000e+01 2.33730000e+01 1.34100000e+01 8.68770000e+00 4.55680000e+00 2.85850000e+00 1.31600000e+00] JM2 = 1.04282397636 JM3 = 1.13694478644 K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.11430000e+03 3.09810000e+03 1.47500000e+03 8.15060000e+02 2.71550000e+02 1.23660000e+02 4.14370000e+01 1.96270000e+01 1.12750000e+01 7.31260000e+00 3.84260000e+00 2.41380000e+00 1.11360000e+00] JM1 = 1.02477084511 M = [ 0.00000000e+00 0.00000000e+00 3.33240000e+05 7.38850000e+05 8.04570000e+05 1.01300000e+06 8.26730000e+05 9.75240000e+05 8.34840000e+05 7.66110000e+05 8.09840000e+05 6.66190000e+05 6.88960000e+05 3.65810000e+05 1.80670000e+05 1.02880000e+05 6.44720000e+04 3.05140000e+04 2.50110000e+04 2.44910000e+04 1.87710000e+04 1.83790000e+04 1.69420000e+04 1.66180000e+04 1.62700000e+04 5.72740000e+03 2.62540000e+03 8.62810000e+02 3.88390000e+02 2.08230000e+02 1.28140000e+02 1.25300000e+02 1.24830000e+02 5.54860000e+01 2.95290000e+01 9.39380000e+00 4.19620000e+00 1.38150000e+00 6.47570000e-01 3.68830000e-01 2.37410000e-01 1.23180000e-01 7.66430000e-02 3.48350000e-02] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.10040000e+04 3.92360000e+04 6.14610000e+04 5.71950000e+04 5.60710000e+04 6.66370000e+04 2.45380000e+04 1.14610000e+04 3.82120000e+03 1.73110000e+03 9.31040000e+02 5.74010000e+02 5.61320000e+02 5.59230000e+02 2.49140000e+02 1.32750000e+02 4.22870000e+01 1.88980000e+01 6.22500000e+00 2.91930000e+00 1.66370000e+00 1.07170000e+00 5.56720000e-01 3.46720000e-01 1.57840000e-01] JM4 = 1.17456896552 JM5 = 1.86281131279 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.30360000e+04 2.17110000e+04 2.12500000e+04 2.07610000e+04 7.41580000e+03 3.30570000e+03 1.01430000e+03 4.27190000e+02 2.16020000e+02 1.26610000e+02 1.23520000e+02 1.23010000e+02 5.02200000e+01 2.49920000e+01 7.06270000e+00 2.91930000e+00 8.72250000e-01 3.84960000e-01 2.10150000e-01 1.31110000e-01 6.50310000e-02 3.93110000e-02 1.72170000e-02] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.10040000e+04 3.92360000e+04 3.84250000e+04 3.54850000e+04 3.48210000e+04 3.41070000e+04 1.12410000e+04 4.79450000e+03 1.37620000e+03 5.52490000e+02 2.68560000e+02 1.52540000e+02 1.48600000e+02 1.47950000e+02 5.72090000e+01 2.72490000e+01 7.09410000e+00 2.76820000e+00 7.68410000e-01 3.25270000e-01 1.73330000e-01 1.06600000e-01 5.21770000e-02 3.13840000e-02 1.36940000e-02] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.17690000e+04 5.88090000e+03 3.36020000e+03 1.43080000e+03 7.51400000e+02 4.46460000e+02 2.94860000e+02 2.89200000e+02 2.88270000e+02 1.41710000e+02 8.05100000e+01 2.81300000e+01 1.32110000e+01 4.58430000e+00 2.20910000e+00 1.28020000e+00 8.34000000e-01 4.39510000e-01 2.76020000e-01 1.26930000e-01] all other = [ 8.10250000e+05 3.79040000e+05 3.72850000e+05 3.62580000e+05 3.55430000e+05 3.49590000e+05 2.29140000e+05 2.25230000e+05 1.96450000e+05 1.81490000e+05 1.78340000e+05 1.47670000e+05 1.45060000e+05 7.87900000e+04 4.00160000e+04 2.33300000e+04 1.49030000e+04 7.25480000e+03 5.98810000e+03 5.86790000e+03 4.53790000e+03 4.44620000e+03 4.10930000e+03 4.03310000e+03 3.95130000e+03 1.43280000e+03 6.68990000e+02 2.24750000e+02 1.02490000e+02 5.54230000e+01 3.43090000e+01 3.35570000e+01 3.34330000e+01 1.49890000e+01 8.02170000e+00 2.57300000e+00 1.15460000e+00 3.82010000e-01 1.79520000e-01 1.02400000e-01 6.59890000e-02 3.42790000e-02 2.13420000e-02 9.70730000e-03] [Tm.binding] K = 59.5037 L1 = 10.0832 M5 = 1.4696 M4 = 1.516 M1 = 2.2783 L3 = 8.6378 M3 = 1.8651 M2 = 2.0757 L2 = 9.6299 [Th] JL1 = 1.13320428286 JL3 = 2.35993085759 JL2 = 1.38601764384 energy = [ 1.00000000e+00 1.16160000e+00 1.17090000e+00 1.31120000e+00 1.32170000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 3.33460000e+00 3.36130000e+00 3.49860000e+00 3.52660000e+00 4.00000000e+00 4.03180000e+00 4.06410000e+00 4.82790000e+00 4.86650000e+00 5.00000000e+00 5.15910000e+00 5.20040000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 1.62980000e+01 1.64280000e+01 1.97620000e+01 1.99200000e+01 2.00000000e+01 2.04820000e+01 2.06460000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.10140000e+02 1.11020000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 4.25138046528 M5 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.09010000e+05 2.73930000e+05 2.68380000e+05 1.95990000e+05 1.91830000e+05 1.87690000e+05 1.14630000e+05 1.11980000e+05 1.03470000e+05 9.48150000e+04 9.26960000e+04 6.05580000e+04 2.51090000e+04 1.22980000e+04 3.16720000e+03 2.37860000e+03 2.31350000e+03 1.20900000e+03 1.17520000e+03 1.15860000e+03 1.06450000e+03 1.03470000e+03 2.66360000e+02 9.09750000e+01 3.89870000e+01 1.93740000e+01 6.37660000e+00 2.69160000e+00 1.85410000e+00 1.79790000e+00 5.67740000e-01 1.93560000e-01 4.52290000e-02 1.72030000e-02 8.56730000e-03 4.98790000e-03 2.26480000e-03 1.28960000e-03 5.29300000e-04] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.96550000e+05 1.42570000e+05 1.39760000e+05 1.36960000e+05 8.52360000e+04 8.33150000e+04 7.70990000e+04 7.03180000e+04 6.88120000e+04 4.57830000e+04 1.93570000e+04 9.65070000e+03 2.57070000e+03 1.94490000e+03 1.89320000e+03 1.00620000e+03 9.78820000e+02 9.65380000e+02 8.88970000e+02 8.64680000e+02 2.30980000e+02 8.13970000e+01 3.57870000e+01 1.81750000e+01 6.19740000e+00 2.68880000e+00 1.87400000e+00 1.81900000e+00 5.94470000e-01 2.08260000e-01 4.97500000e-02 1.89090000e-02 9.33720000e-03 5.35680000e-03 2.35290000e-03 1.32370000e-03 5.11810000e-04] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.33460000e+04 1.10040000e+04 7.21030000e+03 5.04850000e+03 2.49380000e+03 2.13860000e+03 2.10710000e+03 1.48520000e+03 1.46250000e+03 1.45130000e+03 1.38610000e+03 1.36480000e+03 6.46370000e+02 3.53240000e+02 2.17540000e+02 1.44900000e+02 7.50250000e+01 4.44380000e+01 3.53150000e+01 3.46490000e+01 1.67690000e+01 8.31260000e+00 3.10230000e+00 1.56600000e+00 9.36170000e-01 6.22780000e-01 3.36020000e-01 2.13040000e-01 9.78990000e-02] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 7.56180000e+04 5.77940000e+04 5.70170000e+04 5.43620000e+04 5.13090000e+04 5.05440000e+04 3.84540000e+04 2.17660000e+04 1.34890000e+04 5.27540000e+03 4.31020000e+03 4.22660000e+03 2.65880000e+03 2.60530000e+03 2.57890000e+03 2.42640000e+03 2.37720000e+03 8.82330000e+02 3.96210000e+02 2.08730000e+02 1.22240000e+02 5.16380000e+01 2.61700000e+01 1.94590000e+01 1.89880000e+01 7.51230000e+00 3.10510000e+00 9.17570000e-01 4.00210000e-01 2.16570000e-01 1.33920000e-01 6.55430000e-02 3.91110000e-02 1.66950000e-02] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.12190000e+04 2.08540000e+04 1.99450000e+04 1.97740000e+04 1.67790000e+04 1.08550000e+04 7.35430000e+03 3.30800000e+03 2.77630000e+03 2.72920000e+03 1.81720000e+03 1.78500000e+03 1.76900000e+03 1.67640000e+03 1.64630000e+03 6.81910000e+02 3.32590000e+02 1.86790000e+02 1.15290000e+02 5.29650000e+01 2.86650000e+01 2.19320000e+01 2.14510000e+01 9.27610000e+00 4.16710000e+00 1.37460000e+00 6.42490000e-01 3.64380000e-01 2.33170000e-01 1.19590000e-01 7.37880000e-02 3.32610000e-02] total = [ 2.54350000e+06 1.93320000e+06 1.93200000e+06 1.55430000e+06 1.56100000e+06 1.21320000e+06 6.66430000e+05 2.72520000e+05 2.14130000e+05 5.19260000e+05 4.65700000e+05 6.53210000e+05 4.79090000e+05 4.69540000e+05 5.35660000e+05 3.47830000e+05 3.62010000e+05 3.38740000e+05 3.13360000e+05 3.20690000e+05 2.26080000e+05 1.10740000e+05 6.30050000e+04 2.22400000e+04 1.79340000e+04 4.23230000e+04 2.56180000e+04 3.55070000e+04 3.50620000e+04 3.30620000e+04 3.74660000e+04 1.43720000e+04 6.75390000e+03 3.73110000e+03 2.28830000e+03 1.05230000e+03 5.74400000e+02 4.41880000e+02 1.87860000e+03 8.70180000e+02 4.13830000e+02 1.46680000e+02 7.20780000e+01 4.24680000e+01 2.80210000e+01 1.50080000e+01 9.49530000e+00 4.36900000e+00] JM2 = 1.04076704137 JM3 = 1.1408186736 K = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 1446.2 679.05 325.71 116.36 57.454 33.97 22.478 12.089 7.6684 3.5397] JM1 = 1.02339162624 M = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.09010000e+05 2.73930000e+05 4.64930000e+05 3.38570000e+05 3.31590000e+05 4.00260000e+05 2.57660000e+05 2.73530000e+05 2.55790000e+05 2.36390000e+05 2.45170000e+05 1.72580000e+05 8.42970000e+04 4.78410000e+04 1.68150000e+04 1.35480000e+04 1.32700000e+04 8.17640000e+03 8.00680000e+03 7.92310000e+03 7.44240000e+03 7.28770000e+03 2.70800000e+03 1.25440000e+03 6.87830000e+02 4.19990000e+02 1.92200000e+02 1.04650000e+02 8.04340000e+01 7.87050000e+01 3.47190000e+01 1.59870000e+01 5.48940000e+00 2.64480000e+00 1.53500000e+00 1.00020000e+00 5.25770000e-01 3.28560000e-01 1.48900000e-01] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.47570000e+04 1.47750000e+04 2.48880000e+04 2.45540000e+04 2.31890000e+04 2.77980000e+04 1.07680000e+04 5.08090000e+03 2.81240000e+03 1.72670000e+03 7.94930000e+02 4.34100000e+02 3.33990000e+02 3.26830000e+02 1.44510000e+02 6.66360000e+01 2.29250000e+01 1.10640000e+01 6.43080000e+00 4.19630000e+00 2.21090000e+00 1.38410000e+00 6.28620000e-01] JM4 = 1.40264118531 JM5 = 2.42497548218 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.04260000e+04 1.02460000e+04 9.76860000e+03 9.61450000e+03 3.69460000e+03 1.70580000e+03 9.22600000e+02 5.53700000e+02 2.44400000e+02 1.28810000e+02 9.75250000e+01 9.53110000e+01 4.00690000e+01 1.76140000e+01 5.67910000e+00 2.62380000e+00 1.47830000e+00 9.42020000e-01 4.80930000e-01 2.96080000e-01 1.32960000e-01] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.47570000e+04 1.47750000e+04 1.44620000e+04 1.43080000e+04 1.34200000e+04 1.31330000e+04 4.48690000e+03 1.90240000e+03 9.63410000e+02 5.48220000e+02 2.22590000e+02 1.09920000e+02 8.09140000e+01 7.88920000e+01 3.03800000e+01 1.23040000e+01 3.56070000e+00 1.53740000e+00 8.27470000e-01 5.10000000e-01 2.48730000e-01 1.48440000e-01 6.33820000e-02] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.04980000e+03 2.58600000e+03 1.47270000e+03 9.26360000e+02 6.24810000e+02 3.27940000e+02 1.95370000e+02 1.55550000e+02 1.52630000e+02 7.40560000e+01 3.67180000e+01 1.36850000e+01 6.90230000e+00 4.12510000e+00 2.74420000e+00 1.48130000e+00 9.39620000e-01 4.32280000e-01] all other = [ 2.54350000e+06 1.93320000e+06 1.93200000e+06 1.55430000e+06 1.56100000e+06 1.21320000e+06 6.66430000e+05 2.72520000e+05 2.14130000e+05 2.10250000e+05 1.91770000e+05 1.88280000e+05 1.40520000e+05 1.37950000e+05 1.35390000e+05 9.01700000e+04 8.84740000e+04 8.29490000e+04 7.69710000e+04 7.55160000e+04 5.34980000e+04 2.64420000e+04 1.51640000e+04 5.42450000e+03 4.38530000e+03 4.29630000e+03 2.66690000e+03 2.61230000e+03 2.58540000e+03 2.43070000e+03 2.38090000e+03 8.96320000e+02 4.18690000e+02 2.30890000e+02 1.41600000e+02 6.52020000e+01 3.56500000e+01 2.74510000e+01 2.68640000e+01 1.19080000e+01 5.50330000e+00 1.89740000e+00 9.15920000e-01 5.32330000e-01 3.47120000e-01 1.82630000e-01 1.14180000e-01 5.17460000e-02] [Th.binding] K = 110.2496 L1 = 20.502 M5 = 3.3379 M4 = 3.5021 M1 = 5.1642 L3 = 16.3139 M3 = 4.0358 M2 = 4.8327 L2 = 19.7818 [Ti] energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 4.93570000e+00 4.97520000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 1.06820000e+04 3.67960000e+03 1.64650000e+03 4.95210000e+02 2.01770000e+02 1.02530000e+02 9.98990000e+01 9.82930000e+01 5.39030000e+01 2.04170000e+01 9.43370000e+00 2.23060000e+00 7.81610000e-01 1.73670000e-01 5.88350000e-02 2.52910000e-02 1.26800000e-02 4.27790000e-03 1.85410000e-03 4.17270000e-04 1.49560000e-04 3.76140000e-05 1.49910000e-05 7.64900000e-06 4.55190000e-06 2.12130000e-06 1.23170000e-06 5.12680000e-07] M = [ 4.64480000e+04 1.73330000e+04 8.38090000e+03 2.90540000e+03 1.34030000e+03 7.54470000e+02 7.38100000e+02 7.28080000e+02 4.39780000e+02 1.96630000e+02 1.04450000e+02 3.24560000e+01 1.39620000e+01 4.16940000e+00 1.74280000e+00 8.80360000e-01 5.01860000e-01 2.05560000e-01 1.02540000e-01 2.89790000e-02 1.19220000e-02 3.52370000e-03 1.54700000e-03 8.45960000e-04 5.31140000e-04 2.69800000e-04 1.67650000e-04 7.82900000e-05] L = [ 4.18820000e+05 1.48550000e+05 6.95090000e+04 2.31960000e+04 1.04910000e+04 5.83840000e+03 5.70940000e+03 5.63050000e+03 3.37180000e+03 1.48910000e+03 7.84340000e+02 2.40810000e+02 1.02910000e+02 3.05070000e+01 1.27140000e+01 6.40650000e+00 3.64570000e+00 1.48980000e+00 7.42060000e-01 2.09270000e-01 8.60010000e-02 2.54020000e-02 1.11480000e-02 6.09460000e-03 3.82620000e-03 1.94320000e-03 1.20750000e-03 5.63690000e-04] M5 = [ 4.85560000e+02 1.07110000e+02 3.48230000e+01 6.63070000e+00 1.95090000e+00 7.92740000e-01 7.66010000e-01 7.49820000e-01 3.40960000e-01 9.63330000e-02 3.52830000e-02 5.47470000e-03 1.43980000e-03 2.15390000e-04 5.55500000e-05 1.94200000e-05 8.23720000e-06 2.15050000e-06 7.72900000e-07 1.26370000e-07 3.73200000e-08 7.46850000e-09 2.67530000e-09 1.27140000e-09 7.44290000e-10 3.38090000e-10 1.98140000e-10 9.34700000e-11] M4 = [ 3.28910000e+02 7.26910000e+01 2.36780000e+01 4.52400000e+00 1.34130000e+00 5.46380000e-01 5.28000000e-01 5.16870000e-01 2.35590000e-01 6.68240000e-02 2.45670000e-02 3.84410000e-03 1.01820000e-03 1.54300000e-04 4.02270000e-05 1.41810000e-05 6.07100000e-06 1.60860000e-06 5.82770000e-07 9.70570000e-08 2.86000000e-08 5.62590000e-09 1.90010000e-09 8.70970000e-10 4.72130000e-10 1.98220000e-10 1.07430000e-10 4.31950000e-11] L2 = [ 1.11530000e+05 3.57660000e+04 1.53020000e+04 4.37140000e+03 1.73350000e+03 8.66900000e+02 8.44180000e+02 8.30320000e+02 4.49680000e+02 1.67270000e+02 7.63580000e+01 1.77650000e+01 6.17470000e+00 1.35760000e+00 4.57490000e-01 1.96020000e-01 9.80340000e-02 3.29740000e-02 1.42600000e-02 3.19750000e-03 1.14840000e-03 2.88580000e-04 1.14960000e-04 5.86660000e-05 3.49410000e-05 1.62970000e-05 9.45990000e-06 3.95700000e-06] L3 = [ 2.17610000e+05 6.93400000e+04 2.95310000e+04 8.37980000e+03 3.30610000e+03 1.64660000e+03 1.60320000e+03 1.57670000e+03 8.50670000e+02 3.14340000e+02 1.42670000e+02 3.27870000e+01 1.12780000e+01 2.43550000e+00 8.08150000e-01 3.41540000e-01 1.68710000e-01 5.55220000e-02 2.35760000e-02 5.10710000e-03 1.78350000e-03 4.38830000e-04 1.75300000e-04 9.07890000e-05 5.50190000e-05 2.68990000e-05 1.64120000e-05 7.48080000e-06] M3 = [ 2.08570000e+04 7.14070000e+03 3.18100000e+03 9.50360000e+02 3.85190000e+02 1.94920000e+02 1.89890000e+02 1.86820000e+02 1.02050000e+02 3.83920000e+01 1.76360000e+01 4.11930000e+00 1.42910000e+00 3.11090000e-01 1.03750000e-01 4.39960000e-02 2.17780000e-02 7.18910000e-03 3.05780000e-03 6.63910000e-04 2.32530000e-04 5.72690000e-05 2.28740000e-05 1.18560000e-05 7.19190000e-06 3.52090000e-06 2.14540000e-06 9.75690000e-07] L1 = [ 8.96880000e+04 4.34470000e+04 2.46750000e+04 1.04450000e+04 5.45160000e+03 3.32490000e+03 3.26210000e+03 3.22350000e+03 2.07140000e+03 1.00750000e+03 5.65320000e+02 1.90250000e+02 8.54620000e+01 2.67130000e+01 1.14490000e+01 5.86890000e+00 3.37900000e+00 1.40130000e+00 7.04220000e-01 2.00960000e-01 8.30690000e-02 2.46750000e-02 1.08570000e-02 5.94520000e-03 3.73620000e-03 1.90000000e-03 1.18160000e-03 5.52250000e-04] JK = 8.21681329128 M1 = [ 1.40940000e+04 6.33260000e+03 3.49490000e+03 1.44870000e+03 7.50070000e+02 4.55670000e+02 4.47020000e+02 4.41700000e+02 2.83250000e+02 1.37660000e+02 7.73180000e+01 2.60970000e+01 1.17490000e+01 3.68430000e+00 1.58010000e+00 8.11040000e-01 4.67390000e-01 1.94090000e-01 9.76230000e-02 2.78970000e-02 1.15400000e-02 3.42880000e-03 1.50910000e-03 8.26450000e-04 5.19400000e-04 2.64160000e-04 1.64280000e-04 7.68020000e-05] all other = [ 1.06700000e+03 4.75150000e+02 2.61280000e+02 1.08420000e+02 5.60760000e+01 3.40500000e+01 3.34030000e+01 3.30050000e+01 2.11600000e+01 1.02820000e+01 5.77450000e+00 1.94920000e+00 8.77530000e-01 2.75170000e-01 1.18170000e-01 6.06600000e-02 3.49600000e-02 1.45190000e-02 7.30340000e-03 2.08710000e-03 8.63460000e-04 2.56570000e-04 1.12960000e-04 6.18900000e-05 3.89240000e-05 1.98390000e-05 1.23810000e-05 5.86850000e-06] total = [ 4.66340000e+05 1.66360000e+05 7.81510000e+04 2.62100000e+04 1.18880000e+04 6.62690000e+03 5.44520000e+04 5.42160000e+04 3.42430000e+04 1.59860000e+04 8.71870000e+03 2.79640000e+03 1.21900000e+03 3.67650000e+02 1.54360000e+02 7.80830000e+01 4.45350000e+01 1.82430000e+01 9.09630000e+00 2.56740000e+00 1.05510000e+00 3.11470000e-01 1.36670000e-01 7.47290000e-02 4.69270000e-02 2.38510000e-02 1.48320000e-02 6.93630000e-03] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.79710000e+04 4.78250000e+04 3.04110000e+04 1.42900000e+04 7.82410000e+03 2.52120000e+03 1.10120000e+03 3.32700000e+02 1.39790000e+02 7.07360000e+01 4.03530000e+01 1.65330000e+01 8.24440000e+00 2.32710000e+00 9.56350000e-01 2.82280000e-01 1.23860000e-01 6.77260000e-02 4.25310000e-02 2.16180000e-02 1.34450000e-02 6.28850000e-03] [Ti.binding] K = 4.9406 L1 = 0.5575 M5 = 0.0083 M4 = 0.0084 M1 = 0.0686 L3 = 0.4652 M3 = 0.0444 M2 = 0.0451 L2 = 0.4712 [Te] JL1 = 1.13051801149 JL3 = 2.94141869875 JL2 = 1.32968303632 energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 4.33520000e+00 4.36990000e+00 4.61370000e+00 4.65070000e+00 4.90970000e+00 4.94900000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 3.17760000e+01 3.20300000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 1.09600000e+05 6.62100000e+04 4.14130000e+04 1.90450000e+04 1.02760000e+04 8.56720000e+03 8.41280000e+03 7.42660000e+03 7.29060000e+03 6.42290000e+03 6.30340000e+03 6.15280000e+03 3.96510000e+03 1.91500000e+03 1.05950000e+03 3.41330000e+02 1.46820000e+02 4.25980000e+01 3.55970000e+01 3.47190000e+01 1.72020000e+01 8.40410000e+00 4.65080000e+00 1.81430000e+00 8.71640000e-01 2.31470000e-01 9.17830000e-02 2.60100000e-02 1.11370000e-02 5.94860000e-03 3.65000000e-03 1.77540000e-03 1.05920000e-03 4.56060000e-04] M = [ 1.61570000e+06 6.56630000e+05 3.30550000e+05 1.20750000e+05 5.78150000e+04 4.69290000e+04 4.59670000e+04 3.99040000e+04 3.90820000e+04 3.39140000e+04 3.32130000e+04 3.23330000e+04 1.99950000e+04 9.27770000e+03 5.07520000e+03 1.66910000e+03 7.50020000e+02 2.39680000e+02 2.03630000e+02 1.99070000e+02 1.05750000e+02 5.58070000e+01 3.30160000e+01 1.43620000e+01 7.51100000e+00 2.31120000e+00 1.00740000e+00 3.20630000e-01 1.47020000e-01 8.25810000e-02 5.26880000e-02 2.71210000e-02 1.68510000e-02 7.71940000e-03] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.09580000e+05 9.94670000e+04 1.48920000e+05 1.31930000e+05 1.55260000e+05 1.51400000e+05 9.63850000e+04 4.53950000e+04 2.51060000e+04 8.34750000e+03 3.76600000e+03 1.20620000e+03 1.02490000e+03 1.00200000e+03 5.32630000e+02 2.81170000e+02 1.66360000e+02 7.23660000e+01 3.78360000e+01 1.16340000e+01 5.06800000e+00 1.61180000e+00 7.39180000e-01 4.15180000e-01 2.64920000e-01 1.36410000e-01 8.48130000e-02 3.88770000e-02] M5 = [ 7.03270000e+05 2.40260000e+05 1.04090000e+05 2.94530000e+04 1.13740000e+04 8.64920000e+03 8.41590000e+03 6.98180000e+03 6.79210000e+03 5.62750000e+03 5.47320000e+03 5.28090000e+03 2.77140000e+03 9.70800000e+02 4.19090000e+02 8.62640000e+01 2.70970000e+01 5.07660000e+00 3.98960000e+00 3.85830000e+00 1.51160000e+00 5.86080000e-01 2.69780000e-01 7.94650000e-02 3.09960000e-02 5.79010000e-03 1.83640000e-03 3.95650000e-04 1.45280000e-04 7.10650000e-05 4.14240000e-05 1.86630000e-05 1.08250000e-05 4.43120000e-06] M4 = [ 4.81390000e+05 1.66510000e+05 7.26590000e+04 2.07740000e+04 8.08470000e+03 6.16220000e+03 5.99740000e+03 4.98290000e+03 4.84860000e+03 4.02370000e+03 3.91430000e+03 3.77800000e+03 1.99370000e+03 7.05050000e+02 3.06860000e+02 6.42420000e+01 2.04620000e+01 3.92230000e+00 3.09360000e+00 2.99330000e+00 1.19010000e+00 4.68870000e-01 2.18810000e-01 6.59170000e-02 2.61610000e-02 5.02400000e-03 1.61250000e-03 3.49950000e-04 1.25850000e-04 5.92120000e-05 3.29460000e-05 1.41830000e-05 7.67470000e-06 3.06450000e-06] L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.14990000e+04 4.67900000e+04 4.58620000e+04 4.47300000e+04 2.81120000e+04 1.26240000e+04 6.67980000e+03 2.00250000e+03 8.24830000e+02 2.27800000e+02 1.89200000e+02 1.84380000e+02 8.94620000e+01 4.29270000e+01 2.34570000e+01 8.99780000e+00 4.27670000e+00 1.11870000e+00 4.40130000e-01 1.23780000e-01 5.26830000e-02 2.80740000e-02 1.72000000e-02 8.34340000e-03 4.97040000e-03 2.13980000e-03] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.09580000e+05 9.94670000e+04 9.74160000e+04 8.51450000e+04 8.34640000e+04 8.13350000e+04 4.94440000e+04 2.16600000e+04 1.12200000e+04 3.24130000e+03 1.29990000e+03 3.44270000e+02 2.84170000e+02 2.76690000e+02 1.30900000e+02 6.11370000e+01 3.26330000e+01 1.20330000e+01 5.53590000e+00 1.36120000e+00 5.12890000e-01 1.36900000e-01 5.68500000e-02 3.00170000e-02 1.83800000e-02 9.00850000e-03 5.44870000e-03 2.41310000e-03] M3 = [ 2.45200000e+05 1.37140000e+05 8.23180000e+04 3.62210000e+04 1.90000000e+04 1.57310000e+04 1.54360000e+04 1.35560000e+04 1.32980000e+04 1.16590000e+04 1.14350000e+04 1.11520000e+04 7.07280000e+03 3.33160000e+03 1.80750000e+03 5.61370000e+02 2.34870000e+02 6.53320000e+01 5.42480000e+01 5.28630000e+01 2.55300000e+01 1.21350000e+01 6.55760000e+00 2.45780000e+00 1.14260000e+00 2.85140000e-01 1.08280000e-01 2.91350000e-02 1.21170000e-02 6.41080000e-03 3.93150000e-03 1.92770000e-03 1.16500000e-03 5.16680000e-04] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.59370000e+04 2.53330000e+04 1.88280000e+04 1.11120000e+04 7.20620000e+03 3.10380000e+03 1.64130000e+03 6.34150000e+02 5.51540000e+02 5.40940000e+02 3.12270000e+02 1.77110000e+02 1.10270000e+02 5.13350000e+01 2.80230000e+01 9.15400000e+00 4.11500000e+00 1.35120000e+00 6.29650000e-01 3.57090000e-01 2.29340000e-01 1.19060000e-01 7.43930000e-02 3.43240000e-02] JK = 5.95886001413 M1 = [ 7.62420000e+04 4.65120000e+04 3.00720000e+04 1.52530000e+04 9.08060000e+03 7.81960000e+03 7.70400000e+03 6.95690000e+03 6.85270000e+03 6.18080000e+03 6.08730000e+03 5.96920000e+03 4.19190000e+03 2.35530000e+03 1.48230000e+03 6.15910000e+02 3.20770000e+02 1.22750000e+02 1.06700000e+02 1.04640000e+02 6.03200000e+01 3.42130000e+01 2.13190000e+01 9.94460000e+00 5.43960000e+00 1.78370000e+00 8.03890000e-01 2.64740000e-01 1.23500000e-01 7.00920000e-02 4.50320000e-02 2.33850000e-02 1.46090000e-02 6.73910000e-03] all other = [ 2.45920000e+05 1.06270000e+05 5.61580000e+04 2.18510000e+04 1.08840000e+04 8.92520000e+03 8.75050000e+03 7.64550000e+03 7.49490000e+03 6.54460000e+03 6.41500000e+03 6.25210000e+03 3.94110000e+03 1.87800000e+03 1.04710000e+03 3.54960000e+02 1.62410000e+02 5.30260000e+01 4.51730000e+01 4.41790000e+01 2.37010000e+01 1.26170000e+01 7.50970000e+00 3.29650000e+00 1.73300000e+00 5.37620000e-01 2.35380000e-01 7.52580000e-02 3.46030000e-02 1.94630000e-02 1.24280000e-02 6.40440000e-03 3.98240000e-03 1.82600000e-03] total = [ 1.86160000e+06 7.62900000e+05 3.86710000e+05 1.42600000e+05 6.86990000e+04 5.58540000e+04 1.64290000e+05 1.47020000e+05 1.95490000e+05 1.72390000e+05 1.94890000e+05 1.89980000e+05 1.20320000e+05 5.65510000e+04 3.12290000e+04 1.03720000e+04 4.67840000e+03 1.49890000e+03 1.27370000e+03 7.58980000e+03 4.25440000e+03 2.33410000e+03 1.41710000e+03 6.34750000e+02 3.37310000e+02 1.05670000e+02 4.63730000e+01 1.48420000e+01 6.83100000e+00 3.84900000e+00 2.46340000e+00 1.27530000e+00 7.96430000e-01 3.67930000e-01] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 6.34450000e+03 3.59230000e+03 1.98450000e+03 1.21020000e+03 5.44730000e+02 2.90230000e+02 9.11850000e+01 4.00620000e+01 1.28340000e+01 5.91020000e+00 3.33180000e+00 2.13330000e+00 1.10540000e+00 6.90780000e-01 3.19510000e-01] [Te.binding] K = 31.8077 L1 = 4.9146 M5 = 0.5826 M4 = 0.5937 M1 = 0.9913 L3 = 4.3396 M3 = 0.8148 M2 = 0.8672 L2 = 4.6184 [Tb] JL1 = 1.13182833808 JL3 = 2.68170404611 JL2 = 1.34319384319 energy = [ 1.00000000e+00 1.24320000e+00 1.25320000e+00 1.27770000e+00 1.28800000e+00 1.50000000e+00 1.59520000e+00 1.60790000e+00 1.75200000e+00 1.76610000e+00 1.93460000e+00 1.95000000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 7.49760000e+00 7.55760000e+00 8.00000000e+00 8.25290000e+00 8.31900000e+00 8.66600000e+00 8.73540000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 5.20180000e+01 5.24340000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 5.37834438047 M5 = [ 0.00000000e+00 0.00000000e+00 4.15460000e+05 9.48710000e+05 9.68490000e+05 6.58710000e+05 5.63180000e+05 5.51820000e+05 4.42250000e+05 4.33160000e+05 3.43480000e+05 3.36420000e+05 3.14920000e+05 9.94400000e+04 4.12600000e+04 2.02210000e+04 1.10760000e+04 5.18960000e+03 5.04830000e+03 4.14240000e+03 3.71560000e+03 3.61330000e+03 3.13010000e+03 3.04340000e+03 1.88130000e+03 4.24340000e+02 1.41750000e+02 2.87880000e+01 9.04110000e+00 3.64190000e+00 3.09740000e+00 2.99790000e+00 1.72460000e+00 5.29020000e-01 2.12180000e-01 4.14410000e-02 1.35000000e-02 3.01300000e-03 1.12350000e-03 5.50210000e-04 3.18190000e-04 1.44880000e-04 8.45550000e-05 3.42420000e-05] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.60210000e+05 4.55940000e+05 3.90660000e+05 3.82910000e+05 3.08020000e+05 3.01790000e+05 2.40060000e+05 2.35110000e+05 2.20190000e+05 7.08910000e+04 2.97290000e+04 1.47040000e+04 8.11700000e+03 3.84150000e+03 3.73840000e+03 3.07590000e+03 2.76270000e+03 2.68750000e+03 2.33270000e+03 2.26890000e+03 1.41180000e+03 3.25450000e+02 1.10630000e+02 2.31060000e+01 7.42180000e+00 3.04680000e+00 2.60030000e+00 2.51850000e+00 1.46650000e+00 4.62090000e-01 1.89250000e-01 3.82590000e-02 1.26810000e-02 2.84300000e-03 1.04140000e-03 5.00770000e-04 2.83010000e-04 1.20930000e-04 6.62610000e-05 2.53170000e-05] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.15090000e+04 4.04860000e+04 2.28190000e+04 1.44360000e+04 9.85890000e+03 7.12190000e+03 4.70980000e+03 4.63900000e+03 4.16220000e+03 3.92170000e+03 3.86220000e+03 3.57030000e+03 3.51570000e+03 2.69770000e+03 1.18280000e+03 6.40730000e+02 2.59480000e+02 1.32810000e+02 7.77530000e+01 7.06100000e+01 6.92480000e+01 4.97030000e+01 2.41190000e+01 1.35900000e+01 4.69010000e+00 2.18610000e+00 7.51300000e-01 3.59770000e-01 2.07610000e-01 1.34840000e-01 7.07770000e-02 4.43790000e-02 2.04080000e-02] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.85470000e+05 1.63190000e+05 1.61520000e+05 1.40930000e+05 1.39140000e+05 1.33560000e+05 6.71090000e+04 3.81080000e+04 2.36910000e+04 1.57230000e+04 9.28670000e+03 9.10860000e+03 7.92760000e+03 7.34350000e+03 7.20020000e+03 6.50480000e+03 6.37630000e+03 4.52620000e+03 1.53690000e+03 6.83460000e+02 2.06080000e+02 8.49590000e+01 4.20010000e+01 3.70180000e+01 3.60860000e+01 2.33990000e+01 9.17330000e+00 4.40370000e+00 1.15730000e+00 4.53320000e-01 1.26210000e-01 5.35020000e-02 2.85640000e-02 1.75460000e-02 8.59910000e-03 5.18270000e-03 2.27020000e-03] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 6.83090000e+04 6.13270000e+04 6.07900000e+04 5.89780000e+04 3.28480000e+04 1.97600000e+04 1.27570000e+04 8.70770000e+03 5.31900000e+03 5.22340000e+03 4.58400000e+03 4.26390000e+03 4.18530000e+03 3.80280000e+03 3.73210000e+03 2.70060000e+03 9.70550000e+02 4.49400000e+02 1.43790000e+02 6.19850000e+01 3.17770000e+01 2.81930000e+01 2.75200000e+01 1.82590000e+01 7.53380000e+00 3.76970000e+00 1.07070000e+00 4.42910000e-01 1.32120000e-01 5.81670000e-02 3.17030000e-02 1.97550000e-02 9.77790000e-03 5.89810000e-03 2.57840000e-03] total = [ 6.29700000e+05 4.16040000e+05 8.25030000e+05 1.34290000e+06 1.61670000e+06 1.39990000e+06 1.20500000e+06 1.36720000e+06 1.11960000e+06 1.16740000e+06 9.52450000e+05 9.76760000e+05 9.23160000e+05 3.55290000e+05 1.74840000e+05 9.96010000e+04 6.24600000e+04 3.50460000e+04 9.39830000e+04 8.14840000e+04 7.48440000e+04 1.00530000e+05 9.08530000e+04 1.02830000e+05 7.33090000e+04 2.52260000e+04 1.16410000e+04 3.83700000e+03 1.72600000e+03 9.24040000e+02 8.26760000e+02 4.44660000e+03 3.10930000e+03 1.45240000e+03 7.91790000e+02 2.58340000e+02 1.16330000e+02 3.84740000e+01 1.80760000e+01 1.03250000e+01 6.66890000e+00 3.48630000e+00 2.18430000e+00 1.00610000e+00] JM2 = 1.04269381922 JM3 = 1.13460580913 K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.63820000e+03 2.55630000e+03 1.20740000e+03 6.61810000e+02 2.17260000e+02 9.80760000e+01 3.25080000e+01 1.52920000e+01 8.74450000e+00 5.65310000e+00 2.95990000e+00 1.85670000e+00 8.56870000e-01] JM1 = 1.02552364954 M = [ 0.00000000e+00 0.00000000e+00 4.15460000e+05 9.48710000e+05 1.22870000e+06 1.11460000e+06 9.53850000e+05 1.12020000e+06 9.13460000e+05 9.64770000e+05 7.85800000e+05 8.12970000e+05 7.68140000e+05 2.93110000e+05 1.43290000e+05 8.12320000e+04 5.07450000e+04 2.83470000e+04 2.77580000e+04 2.38920000e+04 2.20070000e+04 2.15490000e+04 1.93410000e+04 1.89360000e+04 1.32180000e+04 4.44000000e+03 2.02600000e+03 6.61250000e+02 2.96220000e+02 1.58220000e+02 1.41520000e+02 1.38370000e+02 9.45530000e+01 4.18170000e+01 2.21650000e+01 6.99780000e+00 3.10850000e+00 1.01550000e+00 4.73610000e-01 2.68930000e-01 1.72740000e-01 8.94200000e-02 5.56100000e-02 2.53160000e-02] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.96600000e+04 5.19090000e+04 4.75860000e+04 7.38380000e+04 6.68780000e+04 7.93500000e+04 5.68830000e+04 1.96750000e+04 9.09880000e+03 3.00370000e+03 1.35170000e+03 7.23780000e+02 6.47590000e+02 6.33220000e+02 4.33170000e+02 1.91900000e+02 1.01810000e+02 3.21700000e+01 1.42940000e+01 4.67030000e+00 2.17880000e+00 1.23760000e+00 7.95300000e-01 4.12210000e-01 2.56580000e-01 1.16930000e-01] JM4 = 1.20388710999 JM5 = 1.98305451399 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.72480000e+04 2.49640000e+04 2.43920000e+04 1.73260000e+04 5.68030000e+03 2.49230000e+03 7.45700000e+02 3.09090000e+02 1.54390000e+02 1.36410000e+02 1.33040000e+02 8.70830000e+01 3.50430000e+01 1.72550000e+01 4.78950000e+00 1.95710000e+00 5.76490000e-01 2.52260000e-01 1.37020000e-01 8.50800000e-02 4.19690000e-02 2.52850000e-02 1.10220000e-02] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.96600000e+04 5.19090000e+04 4.75860000e+04 4.65900000e+04 4.19140000e+04 4.10610000e+04 2.84920000e+04 8.76770000e+03 3.67970000e+03 1.03790000e+03 4.11670000e+02 1.98380000e+02 1.74110000e+02 1.69590000e+02 1.08520000e+02 4.15270000e+01 1.96290000e+01 5.04590000e+00 1.95370000e+00 5.37540000e-01 2.26560000e-01 1.20560000e-01 7.40450000e-02 3.62530000e-02 2.18370000e-02 9.53350000e-03] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.38980000e+04 1.10650000e+04 5.22670000e+03 2.92680000e+03 1.22010000e+03 6.30910000e+02 3.71010000e+02 3.37070000e+02 3.30590000e+02 2.37570000e+02 1.15330000e+02 6.49230000e+01 2.23350000e+01 1.03830000e+01 3.55630000e+00 1.70000000e+00 9.80040000e-01 6.36180000e-01 3.33990000e-01 2.09460000e-01 9.63790000e-02] all other = [ 6.29700000e+05 4.16040000e+05 4.09570000e+05 3.94190000e+05 3.88020000e+05 2.85250000e+05 2.51160000e+05 2.47010000e+05 2.06140000e+05 2.02670000e+05 1.66650000e+05 1.63790000e+05 1.55020000e+05 6.21860000e+04 3.15460000e+04 1.83690000e+04 1.17150000e+04 6.69950000e+03 6.56560000e+03 5.68330000e+03 5.25040000e+03 5.14480000e+03 4.63500000e+03 4.54140000e+03 3.20810000e+03 1.11080000e+03 5.16090000e+02 1.72130000e+02 7.80660000e+01 4.20400000e+01 3.76530000e+01 3.68260000e+01 2.52730000e+01 1.12680000e+01 6.00460000e+00 1.91070000e+00 8.52160000e-01 2.79650000e-01 1.30730000e-01 7.43300000e-02 4.77860000e-02 2.47690000e-02 1.54150000e-02 7.02180000e-03] [Tb.binding] K = 52.0699 L1 = 8.6747 M5 = 1.2445 M4 = 1.279 M1 = 1.9365 L3 = 7.5051 M3 = 1.5968 M2 = 1.7538 L2 = 8.2612 [Tc] JL1 = 1.12240915209 JL3 = 3.51162790698 JL2 = 1.36044312348 energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 2.67480000e+00 2.69620000e+00 2.79520000e+00 2.81760000e+00 3.00000000e+00 3.01950000e+00 3.04370000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 2.09910000e+01 2.11590000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 8.59920000e+04 4.33760000e+04 2.46890000e+04 1.31880000e+04 1.29540000e+04 1.19390000e+04 1.17250000e+04 1.01510000e+04 9.99870000e+03 9.81500000e+03 5.09160000e+03 2.89050000e+03 1.78590000e+03 8.08590000e+02 4.26400000e+02 1.26610000e+02 5.15670000e+01 4.42180000e+01 4.31090000e+01 1.39150000e+01 5.35760000e+00 2.52810000e+00 1.36170000e+00 5.10150000e-01 2.38020000e-01 6.02310000e-02 2.32180000e-02 6.35320000e-03 2.65960000e-03 1.40260000e-03 8.52670000e-04 4.08820000e-04 2.42310000e-04 1.03230000e-04] M = [ 7.95400000e+05 3.06630000e+05 1.51370000e+05 7.27300000e+04 7.12650000e+04 6.49930000e+04 6.36800000e+04 5.42100000e+04 5.33120000e+04 5.22280000e+04 2.56740000e+04 1.42390000e+04 8.74350000e+03 4.01080000e+03 2.17520000e+03 7.05290000e+02 3.13810000e+02 2.73630000e+02 2.67510000e+02 9.88240000e+01 4.31360000e+01 2.25640000e+01 1.32480000e+01 5.68910000e+00 2.94380000e+00 8.87660000e-01 3.81320000e-01 1.18940000e-01 5.39040000e-02 3.00500000e-02 1.90830000e-02 9.78260000e-03 6.07770000e-03 2.79890000e-03] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.06830000e+05 1.85970000e+05 2.80820000e+05 2.40840000e+05 2.37130000e+05 2.74720000e+05 1.38560000e+05 7.79820000e+04 4.82480000e+04 2.22770000e+04 1.21070000e+04 3.92550000e+03 1.74440000e+03 1.52080000e+03 1.48680000e+03 5.48410000e+02 2.39080000e+02 1.24930000e+02 7.32870000e+01 3.14290000e+01 1.62470000e+01 4.89060000e+00 2.09860000e+00 6.54180000e-01 2.96310000e-01 1.65150000e-01 1.04870000e-01 5.37700000e-02 3.34130000e-02 1.53930000e-02] M5 = [ 2.80240000e+05 8.58220000e+04 3.47780000e+04 1.33020000e+04 1.29480000e+04 1.14550000e+04 1.11480000e+04 8.99190000e+03 8.79290000e+03 8.55440000e+03 3.26930000e+03 1.44890000e+03 7.31870000e+02 2.41670000e+02 9.99580000e+01 1.91360000e+01 5.71910000e+00 4.65690000e+00 4.50150000e+00 1.00550000e+00 2.88380000e-01 1.08960000e-01 4.91620000e-02 1.40470000e-02 5.36100000e-03 9.60560000e-04 2.98390000e-04 6.32580000e-05 2.30320000e-05 1.12860000e-05 6.52220000e-06 2.92090000e-06 1.73550000e-06 7.45010000e-07] M4 = [ 1.92220000e+05 5.92650000e+04 2.41360000e+04 9.28040000e+03 9.03450000e+03 7.99830000e+03 7.78500000e+03 6.28690000e+03 6.14860000e+03 5.98280000e+03 2.29930000e+03 1.02410000e+03 5.19600000e+02 1.72900000e+02 7.19880000e+01 1.39760000e+01 4.22690000e+00 3.44940000e+00 3.33550000e+00 7.58040000e-01 2.20930000e-01 8.46190000e-02 3.86310000e-02 1.12540000e-02 4.35850000e-03 8.06870000e-04 2.53130000e-04 5.34250000e-05 1.88700000e-05 8.80280000e-06 4.88170000e-06 2.05740000e-06 1.10370000e-06 4.33260000e-07] L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 9.83560000e+04 8.33550000e+04 8.21570000e+04 8.06920000e+04 3.92730000e+04 2.12200000e+04 1.26520000e+04 5.42500000e+03 2.75740000e+03 7.73590000e+02 3.05010000e+02 2.60270000e+02 2.53550000e+02 7.94090000e+01 2.99780000e+01 1.39660000e+01 7.45490000e+00 2.76020000e+00 1.27850000e+00 3.20340000e-01 1.22640000e-01 3.33640000e-02 1.39220000e-02 7.32500000e-03 4.44690000e-03 2.13530000e-03 1.26270000e-03 5.39210000e-04] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.06830000e+05 1.85970000e+05 1.82470000e+05 1.57480000e+05 1.54970000e+05 1.51900000e+05 7.19140000e+04 3.83590000e+04 2.25830000e+04 9.52380000e+03 4.77410000e+03 1.30400000e+03 5.03500000e+02 4.28110000e+02 4.16780000e+02 1.26880000e+02 4.66640000e+01 2.12610000e+01 1.11290000e+01 3.98550000e+00 1.79540000e+00 4.26640000e-01 1.57460000e-01 4.10680000e-02 1.68600000e-02 8.85510000e-03 5.41000000e-03 2.64250000e-03 1.60310000e-03 7.14180000e-04] M3 = [ 1.75100000e+05 8.51850000e+04 4.74810000e+04 2.48970000e+04 2.44420000e+04 2.24770000e+04 2.20620000e+04 1.90250000e+04 1.87330000e+04 1.83810000e+04 9.38210000e+03 5.25770000e+03 3.21350000e+03 1.43000000e+03 7.43590000e+02 2.14890000e+02 8.57000000e+01 7.32140000e+01 7.13320000e+01 2.23710000e+01 8.38810000e+00 3.86990000e+00 2.04370000e+00 7.40430000e-01 3.36020000e-01 8.06760000e-02 2.98890000e-02 7.83790000e-03 3.22590000e-03 1.69550000e-03 1.03600000e-03 5.08240000e-04 3.07640000e-04 1.37690000e-04] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.21230000e+04 2.73770000e+04 1.84030000e+04 1.30130000e+04 7.32870000e+03 4.57580000e+03 1.84800000e+03 9.35860000e+02 8.32430000e+02 8.16450000e+02 3.42130000e+02 1.62440000e+02 8.97080000e+01 5.47030000e+01 2.46840000e+01 1.31730000e+01 4.14360000e+00 1.81850000e+00 5.79750000e-01 2.65520000e-01 1.48970000e-01 9.50140000e-02 4.89920000e-02 3.05470000e-02 1.41400000e-02] JK = 6.42911502501 M1 = [ 6.18550000e+04 3.29840000e+04 2.02900000e+04 1.20620000e+04 1.18870000e+04 1.11230000e+04 1.09610000e+04 9.75580000e+03 9.63810000e+03 9.49520000e+03 5.63120000e+03 3.61750000e+03 2.49260000e+03 1.35760000e+03 8.33310000e+02 3.30680000e+02 1.66590000e+02 1.48090000e+02 1.45230000e+02 6.07750000e+01 2.88810000e+01 1.59720000e+01 9.75460000e+00 4.41320000e+00 2.36010000e+00 7.44980000e-01 3.27660000e-01 1.04630000e-01 4.79770000e-02 2.69320000e-02 1.71830000e-02 8.86060000e-03 5.52490000e-03 2.55680000e-03] all other = [ 7.42530000e+04 3.23400000e+04 1.73320000e+04 8.96980000e+03 8.80570000e+03 8.09840000e+03 7.94930000e+03 6.86420000e+03 6.76030000e+03 6.63470000e+03 3.44930000e+03 1.99290000e+03 1.26130000e+03 6.03050000e+02 3.36030000e+02 1.13420000e+02 5.16340000e+01 4.51780000e+01 4.41930000e+01 1.66790000e+01 7.38620000e+00 3.89920000e+00 2.30420000e+00 9.98030000e-01 5.19250000e-01 1.57760000e-01 6.80380000e-02 2.13190000e-02 9.68070000e-03 5.40310000e-03 3.43400000e-03 1.76210000e-03 1.09560000e-03 5.05190000e-04] total = [ 8.69650000e+05 3.38970000e+05 1.68710000e+05 8.17000000e+04 2.86900000e+05 2.59070000e+05 3.52450000e+05 3.01910000e+05 2.97200000e+05 3.33580000e+05 1.67690000e+05 9.42130000e+04 5.82530000e+04 2.68910000e+04 1.46190000e+04 4.74430000e+03 2.10980000e+03 1.83960000e+03 1.18270000e+04 4.75410000e+03 2.16440000e+03 1.16050000e+03 6.91910000e+02 3.02370000e+02 1.57880000e+02 4.80580000e+01 2.07090000e+01 6.47720000e+00 2.93970000e+00 1.64150000e+00 1.04440000e+00 5.37430000e-01 3.35040000e-01 1.55230000e-01] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.00280000e+04 4.09020000e+03 1.87480000e+03 1.00910000e+03 6.03070000e+02 2.64250000e+02 1.38170000e+02 4.21220000e+01 1.81610000e+01 5.68270000e+00 2.57980000e+00 1.44090000e+00 9.17020000e-01 4.72120000e-01 2.94450000e-01 1.36530000e-01] [Tc.binding] K = 21.0122 L1 = 3.0226 M5 = 0.263 M4 = 0.267 M1 = 0.5335 L3 = 2.6775 M3 = 0.4249 M2 = 0.4453 L2 = 2.798 [Ta] JL1 = 1.13228409511 JL3 = 2.57078122168 JL2 = 1.35290973985 energy = [ 1.00000000e+00 1.50000000e+00 1.73960000e+00 1.75350000e+00 1.80050000e+00 1.81490000e+00 2.00000000e+00 2.18190000e+00 2.19930000e+00 2.45950000e+00 2.47920000e+00 2.68320000e+00 2.70470000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 9.86900000e+00 9.94800000e+00 1.00000000e+01 1.11530000e+01 1.12420000e+01 1.16480000e+01 1.17410000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 6.75210000e+01 6.80620000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 5.03625985981 M5 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.95000000e+05 6.33020000e+05 6.40320000e+05 5.15990000e+05 4.09560000e+05 4.00950000e+05 2.97120000e+05 2.90780000e+05 2.36290000e+05 2.31300000e+05 1.74130000e+05 7.51280000e+04 3.78750000e+04 2.12240000e+04 8.22080000e+03 4.01330000e+03 3.90390000e+03 3.83400000e+03 2.61820000e+03 2.54570000e+03 2.24580000e+03 2.18330000e+03 9.05330000e+02 3.12310000e+02 6.63080000e+01 2.14440000e+01 8.82400000e+00 4.24830000e+00 2.64290000e+00 2.55940000e+00 1.33540000e+00 5.44790000e-01 1.09210000e-01 3.61060000e-02 8.18830000e-03 3.07590000e-03 1.51490000e-03 8.77140000e-04 3.99410000e-04 2.27920000e-04 9.59470000e-05] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.26730000e+05 3.61280000e+05 2.88300000e+05 2.82350000e+05 2.10340000e+05 2.05930000e+05 1.67830000e+05 1.64260000e+05 1.24530000e+05 5.45750000e+04 2.78130000e+04 1.57250000e+04 6.18510000e+03 3.05510000e+03 2.97310000e+03 2.92070000e+03 2.00790000e+03 1.95320000e+03 1.72660000e+03 1.67940000e+03 7.07400000e+02 2.48930000e+02 5.45430000e+01 1.80870000e+01 7.60010000e+00 3.72550000e+00 2.34540000e+00 2.27320000e+00 1.20590000e+00 5.03410000e-01 1.04870000e-01 3.53950000e-02 8.10960000e-03 3.00990000e-03 1.44950000e-03 8.20490000e-04 3.58110000e-04 1.97240000e-04 7.50560000e-05] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.89930000e+04 2.58560000e+04 1.70280000e+04 1.20340000e+04 8.88110000e+03 5.34600000e+03 3.62230000e+03 3.56810000e+03 3.53300000e+03 2.86730000e+03 2.82360000e+03 2.63670000e+03 2.59630000e+03 1.59890000e+03 8.84760000e+02 3.69330000e+02 1.93220000e+02 1.15070000e+02 7.45930000e+01 5.60770000e+01 5.49990000e+01 3.70010000e+01 2.12020000e+01 7.53720000e+00 3.58410000e+00 1.26430000e+00 6.15340000e-01 3.58850000e-01 2.34710000e-01 1.24180000e-01 7.80910000e-02 3.58680000e-02] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.43280000e+05 1.19460000e+05 1.18040000e+05 1.03730000e+05 1.02330000e+05 8.55910000e+04 5.14270000e+04 3.30650000e+04 2.24900000e+04 1.17780000e+04 7.14000000e+03 7.00210000e+03 6.91330000e+03 5.27940000e+03 5.17530000e+03 4.73380000e+03 4.63950000e+03 2.46370000e+03 1.13160000e+03 3.56590000e+02 1.51440000e+02 7.65290000e+01 4.33710000e+01 2.99000000e+01 2.91550000e+01 1.74430000e+01 8.52920000e+00 2.30940000e+00 9.21070000e-01 2.61640000e-01 1.12000000e-01 6.00300000e-02 3.70100000e-02 1.81290000e-02 1.08940000e-02 4.73070000e-03] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.88130000e+04 4.38040000e+04 4.34490000e+04 3.79950000e+04 2.48630000e+04 1.69510000e+04 1.20490000e+04 6.70310000e+03 4.23360000e+03 4.15840000e+03 4.10990000e+03 3.20400000e+03 3.14520000e+03 2.89520000e+03 2.84160000e+03 1.57820000e+03 7.63150000e+02 2.58820000e+02 1.16010000e+02 6.12140000e+01 3.59800000e+01 2.54100000e+01 2.48170000e+01 1.53580000e+01 7.87730000e+00 2.33130000e+00 9.89630000e-01 3.04680000e-01 1.36690000e-01 7.53860000e-02 4.73140000e-02 2.37160000e-02 1.44010000e-02 6.35690000e-03] total = [ 1.05130000e+06 4.67430000e+05 3.41790000e+05 5.31010000e+05 9.50510000e+05 1.07910000e+06 1.13000000e+06 9.06510000e+05 1.03160000e+06 7.86550000e+05 8.20350000e+05 6.82690000e+05 6.99000000e+05 5.49500000e+05 2.74600000e+05 1.57860000e+05 9.96310000e+04 4.76330000e+04 2.75850000e+04 7.09150000e+04 7.01530000e+04 5.23930000e+04 7.08830000e+04 6.49360000e+04 7.35260000e+04 3.93980000e+04 1.84110000e+04 6.19100000e+03 2.81910000e+03 1.52280000e+03 9.17880000e+02 6.60510000e+02 3.32650000e+03 2.17100000e+03 1.20840000e+03 4.04490000e+02 1.85070000e+02 6.24970000e+01 2.97540000e+01 1.71490000e+01 1.11440000e+01 5.86610000e+00 3.68450000e+00 1.69560000e+00] JM2 = 1.04297247473 JM3 = 1.13799075576 K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.68060000e+03 1.75980000e+03 9.88370000e+02 3.33830000e+02 1.53300000e+02 5.19490000e+01 2.47810000e+01 1.43050000e+01 9.30860000e+00 4.91040000e+00 3.08910000e+00 1.42490000e+00] JM1 = 1.02389078498 M = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.95000000e+05 6.33020000e+05 7.67040000e+05 8.77270000e+05 6.97850000e+05 8.26580000e+05 6.26920000e+05 6.63570000e+05 5.51650000e+05 5.70330000e+05 4.48100000e+05 2.23020000e+05 1.27740000e+05 8.03690000e+04 3.82330000e+04 2.20640000e+04 2.16060000e+04 2.13110000e+04 1.59770000e+04 1.56430000e+04 1.42380000e+04 1.39400000e+04 7.25360000e+03 3.34070000e+03 1.10560000e+03 5.00210000e+02 2.69230000e+02 1.61920000e+02 1.16370000e+02 1.13800000e+02 7.23430000e+01 3.86560000e+01 1.23920000e+01 5.56630000e+00 1.84690000e+00 8.70110000e-01 4.97230000e-01 3.20730000e-01 1.66790000e-01 1.03810000e-01 4.71270000e-02] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.39000000e+04 4.35030000e+04 3.23790000e+04 5.12850000e+04 4.70880000e+04 5.60490000e+04 3.02720000e+04 1.41920000e+04 4.78850000e+03 2.18280000e+03 1.17970000e+03 7.11240000e+02 5.11870000e+02 5.00600000e+02 3.18680000e+02 1.70550000e+02 5.47660000e+01 2.46180000e+01 8.17480000e+00 3.85400000e+00 2.20410000e+00 1.42270000e+00 7.40970000e-01 4.61680000e-01 2.09990000e-01] JM4 = 1.13528526791 JM5 = 1.55361479271 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.95780000e+04 1.81910000e+04 1.77650000e+04 9.47200000e+03 4.27900000e+03 1.34830000e+03 5.77740000e+02 2.95720000e+02 1.70010000e+02 1.18500000e+02 1.15640000e+02 7.04130000e+01 3.54140000e+01 1.01890000e+01 4.26020000e+00 1.29110000e+00 5.74760000e-01 3.15580000e-01 1.97520000e-01 9.85870000e-02 5.97440000e-02 2.63130000e-02] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.39000000e+04 4.35030000e+04 3.23790000e+04 3.17070000e+04 2.88970000e+04 2.83000000e+04 1.42330000e+04 6.12540000e+03 1.78730000e+03 7.25160000e+02 3.55570000e+02 1.97200000e+02 1.34230000e+02 1.30780000e+02 7.70240000e+01 3.69580000e+01 9.74050000e+00 3.82980000e+00 1.07220000e+00 4.55760000e-01 2.43330000e-01 1.49650000e-01 7.32700000e-02 4.39800000e-02 1.91210000e-02] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 9.98450000e+03 6.56670000e+03 3.78760000e+03 1.65290000e+03 8.79860000e+02 5.28370000e+02 3.44030000e+02 2.59140000e+02 2.54180000e+02 1.71240000e+02 9.81790000e+01 3.48370000e+01 1.65280000e+01 5.81140000e+00 2.82350000e+00 1.64510000e+00 1.07560000e+00 5.69120000e-01 3.57950000e-01 1.64550000e-01] all other = [ 1.05130000e+06 4.67430000e+05 3.41790000e+05 3.36010000e+05 3.17500000e+05 3.12090000e+05 2.52740000e+05 2.08660000e+05 2.05000000e+05 1.59630000e+05 1.56790000e+05 1.31040000e+05 1.28670000e+05 1.01400000e+05 5.15740000e+04 3.01190000e+04 1.92620000e+04 9.40010000e+03 5.52100000e+03 5.40980000e+03 5.33830000e+03 4.03690000e+03 3.95500000e+03 3.60950000e+03 3.53610000e+03 1.87250000e+03 8.77970000e+02 2.96900000e+02 1.36110000e+02 7.39030000e+01 4.47280000e+01 3.22680000e+01 3.15630000e+01 2.01590000e+01 1.08340000e+01 3.50320000e+00 1.58120000e+00 5.27230000e-01 2.49040000e-01 1.42540000e-01 9.20390000e-02 4.79280000e-02 2.98480000e-02 1.35610000e-02] [Ta.binding] K = 67.5884 L1 = 11.6598 M5 = 1.7414 M4 = 1.8023 M1 = 2.6859 L3 = 9.8788 M3 = 2.1841 M2 = 2.4619 L2 = 11.1637 [Yb] JL1 = 1.13213747403 JL3 = 2.61147470184 JL2 = 1.39253148068 energy = [ 1.00000000e+00 1.50000000e+00 1.52680000e+00 1.53910000e+00 1.57650000e+00 1.58910000e+00 1.93320000e+00 1.94870000e+00 2.00000000e+00 2.15910000e+00 2.17640000e+00 2.36670000e+00 2.38570000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 8.92460000e+00 8.99600000e+00 9.98310000e+00 1.00000000e+01 1.00630000e+01 1.04460000e+01 1.05300000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 6.13970000e+01 6.18890000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 5.16377192003 M5 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.18360000e+05 7.73070000e+05 7.75640000e+05 4.70030000e+05 4.60310000e+05 4.29980000e+05 3.51310000e+05 3.43940000e+05 2.76920000e+05 2.71110000e+05 1.43000000e+05 6.09130000e+04 3.03820000e+04 1.68810000e+04 6.45920000e+03 4.43580000e+03 4.31500000e+03 3.00010000e+03 2.98240000e+03 2.91720000e+03 2.55730000e+03 2.48620000e+03 6.92630000e+02 2.36200000e+02 4.93480000e+01 1.57880000e+01 6.44620000e+00 3.08480000e+00 2.81020000e+00 2.72080000e+00 9.61000000e-01 3.89590000e-01 7.73370000e-02 2.54290000e-02 5.73350000e-03 2.14800000e-03 1.05670000e-03 6.11710000e-04 2.79760000e-04 1.59790000e-04 6.72940000e-05] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.93920000e+05 3.28830000e+05 3.22130000e+05 3.01240000e+05 2.46970000e+05 2.41880000e+05 1.95440000e+05 1.91310000e+05 1.02160000e+05 4.40820000e+04 2.22200000e+04 1.24560000e+04 4.83620000e+03 3.33960000e+03 3.25010000e+03 2.27290000e+03 2.25960000e+03 2.21100000e+03 1.94200000e+03 1.88890000e+03 5.37440000e+02 1.86770000e+02 4.02170000e+01 1.31810000e+01 5.49130000e+00 2.67380000e+00 2.44120000e+00 2.36540000e+00 8.56950000e-01 3.55200000e-01 7.31710000e-02 2.45300000e-02 5.57550000e-03 2.05940000e-03 9.88490000e-04 5.62780000e-04 2.42100000e-04 1.34740000e-04 5.09290000e-05] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.36730000e+04 2.48480000e+04 1.62230000e+04 1.12690000e+04 8.24400000e+03 4.90610000e+03 3.99980000e+03 3.93980000e+03 3.22880000e+03 3.21830000e+03 3.17970000e+03 2.95870000e+03 2.91340000e+03 1.43920000e+03 7.90010000e+02 3.26160000e+02 1.69270000e+02 1.00180000e+02 6.46100000e+01 6.10920000e+01 5.99160000e+01 3.17910000e+01 1.81040000e+01 6.36580000e+00 3.00460000e+00 1.04960000e+00 5.07700000e-01 2.94890000e-01 1.92370000e-01 1.01470000e-01 6.37340000e-02 2.92850000e-02] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.60870000e+05 1.48570000e+05 1.35550000e+05 1.34010000e+05 1.17440000e+05 1.15900000e+05 7.90520000e+04 4.63800000e+04 2.94390000e+04 1.98510000e+04 1.02550000e+04 7.88470000e+03 7.73280000e+03 5.98500000e+03 5.95990000e+03 5.86740000e+03 5.34330000e+03 5.23710000e+03 2.08650000e+03 9.47060000e+02 2.93700000e+02 1.23390000e+02 6.18490000e+01 3.48330000e+01 3.23790000e+01 3.15690000e+01 1.38780000e+01 6.74030000e+00 1.80500000e+00 7.15120000e-01 2.01640000e-01 8.60020000e-02 4.60190000e-02 2.83760000e-02 1.38820000e-02 8.36030000e-03 3.63680000e-03] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.60060000e+04 5.00670000e+04 4.96420000e+04 3.62400000e+04 2.31650000e+04 1.54670000e+04 1.08130000e+04 5.88760000e+03 4.61260000e+03 4.53040000e+03 3.56870000e+03 3.55470000e+03 3.50310000e+03 3.21000000e+03 3.15050000e+03 1.33080000e+03 6.33170000e+02 2.10130000e+02 9.28200000e+01 4.84520000e+01 2.82380000e+01 2.63650000e+01 2.57450000e+01 1.19010000e+01 6.04800000e+00 1.76250000e+00 7.40940000e-01 2.25420000e-01 1.00420000e-01 5.51240000e-02 3.45100000e-02 1.72160000e-02 1.04310000e-02 4.58760000e-03] total = [ 8.63880000e+05 3.84990000e+05 3.71030000e+05 6.83270000e+05 1.12000000e+06 1.31080000e+06 1.02320000e+06 1.16370000e+06 1.08810000e+06 9.09800000e+05 9.48720000e+05 7.83230000e+05 8.02460000e+05 4.68750000e+05 2.33140000e+05 1.33490000e+05 8.40310000e+04 4.00330000e+04 3.01010000e+04 7.86080000e+04 5.98780000e+04 8.33820000e+04 8.07620000e+04 7.36430000e+04 8.33740000e+04 3.34870000e+04 1.56100000e+04 5.20760000e+03 2.36070000e+03 1.27080000e+03 7.63910000e+02 7.16240000e+02 3.69850000e+03 1.88560000e+03 1.03770000e+03 3.44350000e+02 1.56660000e+02 5.24830000e+01 2.48610000e+01 1.42800000e+01 9.25830000e+00 4.86020000e+00 3.04990000e+00 1.40390000e+00] JM2 = 1.04277863267 JM3 = 1.13731430805 K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.99810000e+03 1.54490000e+03 8.55980000e+02 2.86340000e+02 1.30690000e+02 4.39110000e+01 2.08360000e+01 1.19840000e+01 7.77860000e+00 4.09130000e+00 2.57100000e+00 1.18600000e+00] JM1 = 1.02455217497 M = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.18360000e+05 7.73070000e+05 9.69560000e+05 7.98860000e+05 9.43310000e+05 8.79790000e+05 7.33840000e+05 7.75840000e+05 6.39860000e+05 6.61640000e+05 3.85300000e+05 1.90760000e+05 1.08780000e+05 6.82450000e+04 3.23440000e+04 2.42720000e+04 2.37680000e+04 1.80560000e+04 1.79750000e+04 1.76780000e+04 1.60110000e+04 1.56760000e+04 6.08660000e+03 2.79320000e+03 9.19560000e+02 4.14450000e+02 2.22420000e+02 1.33440000e+02 1.25090000e+02 1.22320000e+02 5.93890000e+01 3.16370000e+01 1.00840000e+01 4.51060000e+00 1.48790000e+00 6.98330000e-01 3.98080000e-01 2.56430000e-01 1.33090000e-01 8.28200000e-02 3.76270000e-02] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.91290000e+04 3.74450000e+04 6.10480000e+04 5.87950000e+04 5.37350000e+04 6.38810000e+04 2.58780000e+04 1.21050000e+04 4.04860000e+03 1.83690000e+03 9.89220000e+02 5.94720000e+02 5.57620000e+02 5.45300000e+02 2.65320000e+02 1.41520000e+02 4.51720000e+01 2.02170000e+01 6.67280000e+00 3.13350000e+00 1.78730000e+00 1.15200000e+00 5.98760000e-01 3.72960000e-01 1.69740000e-01] JM4 = 1.17035714286 JM5 = 1.84154920087 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.37690000e+04 2.21220000e+04 2.04460000e+04 1.99750000e+04 7.88550000e+03 3.53770000e+03 1.09130000e+03 4.61650000e+02 2.34100000e+02 1.33630000e+02 1.24460000e+02 1.21440000e+02 5.47540000e+01 2.73210000e+01 7.75570000e+00 3.21500000e+00 9.64010000e-01 4.26370000e-01 2.33100000e-01 1.45570000e-01 7.23010000e-02 4.37430000e-02 1.91800000e-02] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.91290000e+04 3.74450000e+04 3.72800000e+04 3.66730000e+04 3.32900000e+04 3.26060000e+04 1.19400000e+04 5.10350000e+03 1.47190000e+03 5.92560000e+02 2.88690000e+02 1.59300000e+02 1.47720000e+02 1.43910000e+02 6.17520000e+01 2.94680000e+01 7.69580000e+00 3.00880000e+00 8.36990000e-01 3.54670000e-01 1.89090000e-01 1.16320000e-01 5.69260000e-02 3.42280000e-02 1.49190000e-02] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.13000000e+04 6.05210000e+03 3.46430000e+03 1.48540000e+03 7.82700000e+02 4.66430000e+02 3.01800000e+02 2.85430000e+02 2.79960000e+02 1.48810000e+02 8.47310000e+01 2.97200000e+01 1.39930000e+01 4.87180000e+00 2.35240000e+00 1.36510000e+00 8.90080000e-01 4.69530000e-01 2.94990000e-01 1.35640000e-01] all other = [ 8.63880000e+05 3.84990000e+05 3.71030000e+05 3.64900000e+05 3.46970000e+05 3.41200000e+05 2.24290000e+05 2.20420000e+05 2.08260000e+05 1.75960000e+05 1.72880000e+05 1.43370000e+05 1.40830000e+05 8.34470000e+04 4.23770000e+04 2.47100000e+04 1.57870000e+04 7.68980000e+03 5.82810000e+03 5.71100000e+03 4.37770000e+03 4.35880000e+03 4.28920000e+03 3.89670000e+03 3.81770000e+03 1.52230000e+03 7.11640000e+02 2.39510000e+02 1.09360000e+02 5.92050000e+01 3.57450000e+01 3.35330000e+01 3.27990000e+01 1.60470000e+01 8.59770000e+00 2.76330000e+00 1.24230000e+00 4.11730000e-01 1.93740000e-01 1.10610000e-01 7.13170000e-02 3.70680000e-02 2.30800000e-02 1.04950000e-02] [Yb.binding] K = 61.4583 L1 = 10.4568 M5 = 1.5284 M4 = 1.5781 M1 = 2.3691 L3 = 8.9335 M3 = 1.9352 M2 = 2.1612 L2 = 9.9931 [Dy] JL1 = 1.13189553148 JL3 = 2.66670592739 JL2 = 1.34424257682 energy = [ 1.00000000e+00 1.29800000e+00 1.30840000e+00 1.33520000e+00 1.34590000e+00 1.50000000e+00 1.66040000e+00 1.67370000e+00 1.82950000e+00 1.84410000e+00 2.00000000e+00 2.01690000e+00 2.03300000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 7.77300000e+00 7.83520000e+00 8.00000000e+00 8.58250000e+00 8.65120000e+00 9.00530000e+00 9.07740000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 5.38180000e+01 5.42490000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 5.33600777415 M5 = [ 0.00000000e+00 0.00000000e+00 3.90860000e+05 9.09370000e+05 9.23630000e+05 7.03830000e+05 5.42130000e+05 5.31140000e+05 4.21790000e+05 4.13090000e+05 3.35990000e+05 3.28650000e+05 3.21850000e+05 1.07460000e+05 4.47610000e+04 2.20180000e+04 1.20980000e+04 5.02420000e+03 4.88740000e+03 4.54710000e+03 3.55810000e+03 3.46000000e+03 3.00500000e+03 2.92170000e+03 2.07160000e+03 4.70110000e+02 1.57730000e+02 3.22190000e+01 1.01570000e+01 4.10260000e+00 3.03790000e+00 2.94050000e+00 1.94690000e+00 5.99090000e-01 2.40800000e-01 4.71830000e-02 1.53990000e-02 3.44410000e-03 1.28550000e-03 6.28660000e-04 3.63820000e-04 1.66380000e-04 9.66980000e-05 3.95090000e-05] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.43450000e+05 4.88290000e+05 3.77100000e+05 3.69570000e+05 2.94520000e+05 2.88530000e+05 2.35320000e+05 2.30170000e+05 2.25420000e+05 7.66610000e+04 3.22950000e+04 1.60330000e+04 8.87970000e+03 3.73130000e+03 3.63120000e+03 3.38190000e+03 2.65520000e+03 2.58290000e+03 2.24760000e+03 2.18620000e+03 1.55770000e+03 3.61400000e+02 1.23420000e+02 2.59380000e+01 8.36540000e+00 3.44450000e+00 2.56750000e+00 2.48690000e+00 1.66190000e+00 5.25440000e-01 2.15720000e-01 4.37730000e-02 1.45420000e-02 3.26930000e-03 1.19950000e-03 5.77830000e-04 3.26520000e-04 1.39540000e-04 7.66190000e-05 2.91860000e-05] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.97910000e+04 2.32960000e+04 1.48120000e+04 1.01560000e+04 7.35370000e+03 4.55420000e+03 4.48580000e+03 4.31150000e+03 3.76980000e+03 3.71260000e+03 3.43680000e+03 3.38410000e+03 2.80060000e+03 1.23260000e+03 6.69550000e+02 2.72240000e+02 1.39740000e+02 8.19860000e+01 6.85620000e+01 6.72410000e+01 5.25050000e+01 2.55510000e+01 1.44280000e+01 4.99800000e+00 2.33550000e+00 8.05290000e-01 3.86400000e-01 2.23260000e-01 1.45130000e-01 7.62510000e-02 4.78270000e-02 2.19900000e-02] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.80160000e+05 1.57160000e+05 1.55510000e+05 1.37660000e+05 1.35810000e+05 1.34070000e+05 6.96510000e+04 3.97650000e+04 2.48210000e+04 1.65220000e+04 8.97730000e+03 8.80490000e+03 8.36950000e+03 7.04350000e+03 6.90590000e+03 6.24960000e+03 6.12600000e+03 4.79560000e+03 1.63880000e+03 7.31790000e+02 2.21940000e+02 9.18460000e+01 4.55340000e+01 3.60240000e+01 3.51180000e+01 2.54240000e+01 9.99980000e+00 4.81180000e+00 1.26930000e+00 4.98360000e-01 1.39110000e-01 5.90430000e-02 3.15400000e-02 1.93790000e-02 9.49710000e-03 5.72380000e-03 2.50350000e-03] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 6.56490000e+04 5.93820000e+04 5.88680000e+04 5.83580000e+04 3.36580000e+04 2.04730000e+04 1.33010000e+04 9.12140000e+03 5.16330000e+03 5.07070000e+03 4.83570000e+03 4.11060000e+03 4.03480000e+03 3.67290000e+03 3.60460000e+03 2.86300000e+03 1.03710000e+03 4.82870000e+02 1.55650000e+02 6.74240000e+01 3.46910000e+01 2.77940000e+01 2.71320000e+01 1.99900000e+01 8.28320000e+00 4.15760000e+00 1.18700000e+00 4.92580000e-01 1.47510000e-01 6.50990000e-02 3.55340000e-02 2.21680000e-02 1.09860000e-02 6.63230000e-03 2.90340000e-03] total = [ 6.70170000e+05 4.05950000e+05 7.90410000e+05 1.29300000e+06 1.54470000e+06 1.49510000e+06 1.16440000e+06 1.32200000e+06 1.07300000e+06 1.11900000e+06 9.32950000e+05 9.15110000e+05 9.38310000e+05 3.76780000e+05 1.85630000e+05 1.05860000e+05 6.64370000e+04 3.39610000e+04 9.05640000e+04 8.69610000e+04 7.14990000e+04 9.61120000e+04 8.70310000e+04 9.85100000e+04 7.72870000e+04 2.67580000e+04 1.23740000e+04 4.08770000e+03 1.84120000e+03 9.86820000e+02 8.02660000e+02 4.28300000e+03 3.27440000e+03 1.53470000e+03 8.38000000e+02 2.74240000e+02 1.23730000e+02 4.10250000e+01 1.93060000e+01 1.10400000e+01 7.13590000e+00 3.73340000e+00 2.33990000e+00 1.07770000e+00] JM2 = 1.04287045666 JM3 = 1.13534867743 K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.49820000e+03 2.68330000e+03 1.27240000e+03 6.98730000e+02 2.30130000e+02 1.04100000e+02 3.45980000e+01 1.63030000e+01 9.33330000e+00 6.03850000e+00 3.16440000e+00 1.98570000e+00 9.16310000e-01] JM1 = 1.02535214346 M = [ 0.00000000e+00 0.00000000e+00 3.90860000e+05 9.09370000e+05 1.16710000e+06 1.19210000e+06 9.19230000e+05 1.08090000e+06 8.73470000e+05 9.22780000e+05 7.68350000e+05 7.53500000e+05 7.79490000e+05 3.10720000e+05 1.52100000e+05 8.63290000e+04 5.39750000e+04 2.74500000e+04 2.68800000e+04 2.54460000e+04 2.11370000e+04 2.06960000e+04 1.86120000e+04 1.82230000e+04 1.40890000e+04 4.74010000e+03 2.16540000e+03 7.07980000e+02 3.17530000e+02 1.69760000e+02 1.37990000e+02 1.34920000e+02 1.01530000e+02 4.49580000e+01 2.38530000e+01 7.54530000e+00 3.35640000e+00 1.09860000e+00 5.13030000e-01 2.91540000e-01 1.87370000e-01 9.70410000e-02 6.03560000e-02 2.74650000e-02] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.73040000e+04 5.54630000e+04 4.53010000e+04 7.04570000e+04 6.39440000e+04 7.59020000e+04 5.97790000e+04 2.08320000e+04 9.65640000e+03 3.19530000e+03 1.44000000e+03 7.71930000e+02 6.27890000e+02 6.13970000e+02 4.62430000e+02 2.05150000e+02 1.08950000e+02 3.44970000e+01 1.53500000e+01 5.02560000e+00 2.34760000e+00 1.33470000e+00 8.58150000e-01 4.45030000e-01 2.77040000e-01 1.26250000e-01] JM4 = 1.19466357309 JM5 = 1.94706244611 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.61010000e+04 2.39640000e+04 2.34140000e+04 1.82960000e+04 6.07460000e+03 2.67890000e+03 8.06820000e+02 3.35920000e+02 1.68270000e+02 1.33760000e+02 1.30470000e+02 9.51390000e+01 3.84250000e+01 1.89710000e+01 5.28950000e+00 2.16760000e+00 6.40780000e-01 2.80990000e-01 1.52850000e-01 9.50020000e-02 4.69290000e-02 2.82960000e-02 1.23490000e-02] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.73040000e+04 5.54630000e+04 4.53010000e+04 4.43550000e+04 3.99800000e+04 3.91640000e+04 3.02340000e+04 9.35520000e+03 3.94180000e+03 1.11640000e+03 4.44010000e+02 2.14470000e+02 1.68350000e+02 1.63980000e+02 1.17530000e+02 4.50920000e+01 2.13550000e+01 5.50740000e+00 2.13660000e+00 5.89190000e-01 2.48600000e-01 1.32350000e-01 8.13060000e-02 3.98050000e-02 2.39680000e-02 1.04920000e-02] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.33240000e+04 1.12480000e+04 5.40230000e+03 3.03570000e+03 1.27220000e+03 6.60030000e+02 3.89180000e+02 3.25780000e+02 3.19520000e+02 2.49760000e+02 1.21630000e+02 6.86250000e+01 2.37000000e+01 1.10460000e+01 3.79570000e+00 1.81800000e+00 1.04950000e+00 6.81840000e-01 3.58290000e-01 2.24780000e-01 1.03410000e-01] all other = [ 6.70170000e+05 4.05950000e+05 3.99550000e+05 3.83670000e+05 3.77580000e+05 3.02930000e+05 2.45220000e+05 2.41140000e+05 1.99560000e+05 1.96180000e+05 1.64600000e+05 1.61610000e+05 1.58810000e+05 6.60560000e+04 3.35280000e+04 1.95320000e+04 1.24630000e+04 6.51030000e+03 6.38010000e+03 6.05210000e+03 5.06100000e+03 4.95900000e+03 4.47570000e+03 4.38520000e+03 3.41950000e+03 1.18610000e+03 5.51770000e+02 1.84370000e+02 8.37290000e+01 4.51370000e+01 3.67810000e+01 3.59730000e+01 2.71580000e+01 1.21250000e+01 6.46820000e+00 2.06240000e+00 9.21210000e-01 3.02930000e-01 1.41800000e-01 8.06920000e-02 5.19040000e-02 2.69180000e-02 1.67540000e-02 7.62870000e-03] [Dy.binding] K = 53.8718 L1 = 9.0143 M5 = 1.2993 M4 = 1.3366 M1 = 2.0189 L3 = 7.7808 M3 = 1.6621 M2 = 1.8313 L2 = 8.5911 [I] JM1 = 1.02489941104 JL1 = 1.13102178582 JL3 = 2.9109895019 JL2 = 1.33035392489 energy = [ 1.00000000e+00 1.05460000e+00 1.06300000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 4.54980000e+00 4.58620000e+00 4.85280000e+00 4.89160000e+00 5.00000000e+00 5.15730000e+00 5.19850000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 3.31340000e+01 3.33990000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 1.10340000e+05 1.05210000e+05 1.04340000e+05 6.80750000e+04 4.31800000e+04 2.01290000e+04 1.09480000e+04 8.19830000e+03 8.05030000e+03 7.06930000e+03 6.93980000e+03 6.59480000e+03 6.13280000e+03 6.01850000e+03 4.26880000e+03 2.07530000e+03 1.15380000e+03 3.75060000e+02 1.62270000e+02 4.74470000e+01 3.48370000e+01 3.39800000e+01 1.92600000e+01 9.44490000e+00 5.24220000e+00 2.05390000e+00 9.89910000e-01 2.64260000e-01 1.05130000e-01 2.99120000e-02 1.28330000e-02 6.86530000e-03 4.21790000e-03 2.05490000e-03 1.22620000e-03 5.28880000e-04] M = [ 1.64280000e+06 1.46960000e+06 1.51610000e+06 7.05810000e+05 3.56400000e+05 1.30500000e+05 6.25970000e+04 4.48250000e+04 4.39050000e+04 3.78870000e+04 3.71050000e+04 3.50370000e+04 3.23050000e+04 3.16360000e+04 2.16830000e+04 1.00720000e+04 5.51480000e+03 1.81690000e+03 8.17350000e+02 2.61610000e+02 1.97450000e+02 1.93030000e+02 1.15570000e+02 6.10440000e+01 3.61420000e+01 1.57430000e+01 8.24200000e+00 2.54140000e+00 1.10940000e+00 3.53840000e-01 1.62470000e-01 9.13360000e-02 5.83040000e-02 3.00240000e-02 1.86560000e-02 8.54100000e-03] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.03760000e+05 9.32610000e+04 1.40030000e+05 1.34530000e+05 1.24140000e+05 1.46290000e+05 1.03040000e+05 4.86430000e+04 2.69630000e+04 8.99450000e+03 4.06370000e+03 1.30460000e+03 9.84970000e+02 9.62970000e+02 5.76880000e+02 3.04860000e+02 1.80550000e+02 7.86470000e+01 4.11700000e+01 1.26870000e+01 5.53550000e+00 1.76430000e+00 8.10190000e-01 4.55460000e-01 2.90770000e-01 1.49800000e-01 9.31410000e-02 4.26740000e-02] M5 = [ 7.59730000e+05 6.69480000e+05 6.56680000e+05 2.64230000e+05 1.15150000e+05 3.28790000e+04 1.27800000e+04 8.25420000e+03 8.03140000e+03 6.61010000e+03 6.43020000e+03 5.95980000e+03 5.35120000e+03 5.20430000e+03 3.13910000e+03 1.10590000e+03 4.79630000e+02 9.94930000e+01 3.14060000e+01 5.92390000e+00 3.91130000e+00 3.78280000e+00 1.77150000e+00 6.88890000e-01 3.17790000e-01 9.38940000e-02 3.67070000e-02 6.88230000e-03 2.18760000e-03 4.72080000e-04 1.74070000e-04 8.53930000e-05 4.95370000e-05 2.22370000e-05 1.31060000e-05 5.31910000e-06] M4 = [ 5.19840000e+05 4.58700000e+05 4.50090000e+05 1.83240000e+05 8.04300000e+04 2.32110000e+04 9.09510000e+03 5.89610000e+03 5.73840000e+03 4.73090000e+03 4.60320000e+03 4.26920000e+03 3.83680000e+03 3.73240000e+03 2.26150000e+03 8.04580000e+02 3.51850000e+02 7.42590000e+01 2.37750000e+01 4.58990000e+00 3.04990000e+00 2.95120000e+00 1.39910000e+00 5.52960000e-01 2.58670000e-01 7.81910000e-02 3.11100000e-02 5.99960000e-03 1.93060000e-03 4.20120000e-04 1.51080000e-04 7.11690000e-05 3.97320000e-05 1.71130000e-05 9.26370000e-06 3.53170000e-06] L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.87260000e+04 4.81930000e+04 4.42100000e+04 4.33170000e+04 3.03130000e+04 1.37140000e+04 7.28120000e+03 2.19600000e+03 9.08950000e+02 2.52580000e+02 1.83510000e+02 1.78840000e+02 9.96180000e+01 4.79550000e+01 2.62700000e+01 1.01150000e+01 4.82120000e+00 1.26700000e+00 4.99950000e-01 1.41110000e-01 6.01920000e-02 3.21220000e-02 1.97010000e-02 9.56930000e-03 5.70570000e-03 2.45900000e-03] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.03760000e+05 9.32610000e+04 9.13030000e+04 8.63370000e+04 7.99320000e+04 7.83500000e+04 5.33770000e+04 2.34150000e+04 1.21820000e+04 3.54030000e+03 1.42470000e+03 3.79370000e+02 2.72540000e+02 2.65380000e+02 1.44740000e+02 6.77750000e+01 3.62490000e+01 1.34070000e+01 6.18190000e+00 1.52550000e+00 5.76080000e-01 1.54150000e-01 6.40890000e-02 3.38590000e-02 2.07380000e-02 1.01640000e-02 6.14570000e-03 2.71920000e-03] M3 = [ 2.52880000e+05 2.36160000e+05 2.33670000e+05 1.42750000e+05 8.64830000e+04 3.83980000e+04 2.02780000e+04 1.50010000e+04 1.47190000e+04 1.28540000e+04 1.26090000e+04 1.19560000e+04 1.10870000e+04 1.08720000e+04 7.61050000e+03 3.60530000e+03 1.96460000e+03 6.14800000e+02 2.58520000e+02 7.23860000e+01 5.25500000e+01 5.12100000e+01 2.84110000e+01 1.35470000e+01 7.33880000e+00 2.76050000e+00 1.28670000e+00 3.22420000e-01 1.22740000e-01 3.31150000e-02 1.37930000e-02 7.30370000e-03 4.47990000e-03 2.19560000e-03 1.32780000e-03 5.87680000e-04] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.46200000e+04 1.93540000e+04 1.15140000e+04 7.49980000e+03 3.25830000e+03 1.73010000e+03 6.72690000e+02 5.28930000e+02 5.18760000e+02 3.32520000e+02 1.89130000e+02 1.18030000e+02 5.51260000e+01 3.01670000e+01 9.89430000e+00 4.45950000e+00 1.46910000e+00 6.85910000e-01 3.89480000e-01 2.50330000e-01 1.30070000e-01 8.12890000e-02 3.74950000e-02] JK = 5.9141553999 M1 = [ 0.00000000e+00 0.00000000e+00 7.12920000e+04 4.75180000e+04 3.11500000e+04 1.58810000e+04 9.49590000e+03 7.47580000e+03 7.36510000e+03 6.62290000e+03 6.52360000e+03 6.25760000e+03 5.89810000e+03 5.80860000e+03 4.40280000e+03 2.48060000e+03 1.56490000e+03 6.53260000e+02 3.41380000e+02 1.31270000e+02 1.03100000e+02 1.01110000e+02 6.47260000e+01 3.68100000e+01 2.29850000e+01 1.07560000e+01 5.89760000e+00 1.94180000e+00 8.77460000e-01 2.89930000e-01 1.35520000e-01 7.70100000e-02 4.95170000e-02 2.57340000e-02 1.60800000e-02 7.41560000e-03] all other = [ 2.72230000e+05 2.45330000e+05 2.41490000e+05 1.18470000e+05 6.28060000e+04 2.45100000e+04 1.22300000e+04 8.89860000e+03 8.72400000e+03 7.57980000e+03 7.43020000e+03 7.03340000e+03 6.50740000e+03 6.37820000e+03 4.43710000e+03 2.11610000e+03 1.18030000e+03 4.00380000e+02 1.83260000e+02 5.98470000e+01 4.53670000e+01 4.43670000e+01 2.67570000e+01 1.42480000e+01 8.48600000e+00 3.72540000e+00 1.96000000e+00 6.08920000e-01 2.66900000e-01 8.54840000e-02 3.93480000e-02 2.21470000e-02 1.41490000e-02 7.29330000e-03 4.53500000e-03 2.07790000e-03] total = [ 1.91500000e+06 1.71490000e+06 1.75760000e+06 8.24290000e+05 4.19200000e+05 1.55010000e+05 7.48260000e+04 5.37240000e+04 1.56390000e+05 1.38730000e+05 1.84560000e+05 1.76600000e+05 1.62950000e+05 1.84300000e+05 1.29160000e+05 6.08310000e+04 3.36580000e+04 1.12120000e+04 5.06430000e+03 1.62610000e+03 1.22780000e+03 7.26140000e+03 4.53270000e+03 2.50020000e+03 1.51940000e+03 6.82760000e+02 3.63480000e+02 1.14210000e+02 5.02210000e+01 1.61140000e+01 7.42840000e+00 4.18990000e+00 2.68330000e+00 1.39020000e+00 8.68340000e-01 4.01040000e-01] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 6.06110000e+03 3.81350000e+03 2.12010000e+03 1.29420000e+03 5.84640000e+02 3.12110000e+02 9.83700000e+01 4.33090000e+01 1.39110000e+01 6.41630000e+00 3.62090000e+00 2.32010000e+00 1.20310000e+00 7.52010000e-01 3.47750000e-01] [I.binding] K = 33.1668 L1 = 5.1624 M5 = 0.6292 M4 = 0.6414 M1 = 1.0556 L3 = 4.5543 M3 = 0.8698 M2 = 0.9274 L2 = 4.8576 [U] JL1 = 1.1329136632 JL3 = 2.33938050516 JL2 = 1.39031097948 energy = [ 1.00000000e+00 1.02950000e+00 1.03770000e+00 1.26360000e+00 1.27370000e+00 1.42090000e+00 1.43230000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 3.55090000e+00 3.57930000e+00 3.73270000e+00 3.76260000e+00 4.00000000e+00 4.28490000e+00 4.31930000e+00 5.00000000e+00 5.17770000e+00 5.21910000e+00 5.52360000e+00 5.56790000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 1.71630000e+01 1.73010000e+01 2.00000000e+01 2.10260000e+01 2.11940000e+01 2.17770000e+01 2.19510000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.16170000e+02 1.17100000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 4.15641745946 M5 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.85290000e+05 2.52430000e+05 2.47270000e+05 2.13180000e+05 1.78040000e+05 1.74190000e+05 1.14490000e+05 1.03330000e+05 1.00930000e+05 8.58850000e+04 8.39520000e+04 6.72760000e+04 2.80090000e+04 1.37960000e+04 3.58610000e+03 2.25600000e+03 2.19430000e+03 1.32040000e+03 1.10600000e+03 1.07510000e+03 9.76030000e+02 9.48670000e+02 3.06080000e+02 1.05150000e+02 4.52560000e+01 2.25660000e+01 7.46510000e+00 3.16260000e+00 1.77840000e+00 1.72480000e+00 6.71040000e-01 2.29560000e-01 5.38380000e-02 2.05100000e-02 1.01560000e-02 5.95130000e-03 2.70120000e-03 1.52940000e-03 6.32710000e-04] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.80830000e+05 1.53560000e+05 1.30290000e+05 1.27680000e+05 8.54920000e+04 7.73620000e+04 7.56090000e+04 6.40970000e+04 6.27220000e+04 5.09500000e+04 2.16930000e+04 1.08730000e+04 2.92450000e+03 1.86150000e+03 1.81210000e+03 1.10540000e+03 9.30670000e+02 9.05400000e+02 8.24200000e+02 8.01700000e+02 2.67090000e+02 9.47270000e+01 4.18540000e+01 2.13400000e+01 7.31890000e+00 3.18880000e+00 1.82650000e+00 1.77330000e+00 7.09930000e-01 2.49760000e-01 5.99720000e-02 2.28650000e-02 1.12110000e-02 6.50090000e-03 2.86210000e-03 1.59660000e-03 6.23160000e-04] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.21750000e+04 1.08730000e+04 7.26740000e+03 5.17060000e+03 2.58350000e+03 2.01870000e+03 1.98910000e+03 1.51530000e+03 1.37630000e+03 1.35530000e+03 1.28600000e+03 1.26630000e+03 6.80390000e+02 3.73840000e+02 2.31070000e+02 1.54420000e+02 8.03380000e+01 4.77650000e+01 3.35000000e+01 3.28700000e+01 1.81480000e+01 9.04040000e+00 3.39700000e+00 1.72270000e+00 1.03310000e+00 6.88850000e-01 3.72650000e-01 2.36540000e-01 1.08740000e-01] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 7.12240000e+04 5.66310000e+04 5.34400000e+04 5.26990000e+04 4.74490000e+04 4.67290000e+04 4.04000000e+04 2.30180000e+04 1.43750000e+04 5.68120000e+03 4.09390000e+03 4.01450000e+03 2.79320000e+03 2.46020000e+03 2.41060000e+03 2.24860000e+03 2.20290000e+03 9.64820000e+02 4.35840000e+02 2.30620000e+02 1.35530000e+02 5.75620000e+01 2.92870000e+01 1.85320000e+01 1.80850000e+01 8.46170000e+00 3.51140000e+00 1.04220000e+00 4.55540000e-01 2.46470000e-01 1.52620000e-01 7.46660000e-02 4.45580000e-02 1.89620000e-02] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.93500000e+04 1.82220000e+04 1.80650000e+04 1.68120000e+04 1.10850000e+04 7.64400000e+03 3.52670000e+03 2.66160000e+03 2.61700000e+03 1.90900000e+03 1.70870000e+03 1.67860000e+03 1.57940000e+03 1.55130000e+03 7.48550000e+02 3.68960000e+02 2.08840000e+02 1.29690000e+02 6.01170000e+01 3.27510000e+01 2.17000000e+01 2.12290000e+01 1.07160000e+01 4.84740000e+00 1.61280000e+00 7.57630000e-01 4.30760000e-01 2.76520000e-01 1.42270000e-01 8.78580000e-02 3.97330000e-02] total = [ 2.61380000e+06 2.48270000e+06 2.60350000e+06 1.80830000e+06 1.80560000e+06 1.45690000e+06 1.46190000e+06 1.33150000e+06 7.32290000e+05 2.99660000e+05 2.03810000e+05 4.85380000e+05 4.34010000e+05 6.06350000e+05 5.21340000e+05 4.39900000e+05 5.02220000e+05 3.47920000e+05 3.18130000e+05 3.31000000e+05 2.87590000e+05 2.94210000e+05 2.45230000e+05 1.20230000e+05 6.85980000e+04 2.43050000e+04 1.71430000e+04 4.01040000e+04 2.69990000e+04 2.36350000e+04 3.28600000e+04 3.06590000e+04 3.47340000e+04 1.56590000e+04 7.38340000e+03 4.09160000e+03 2.51540000e+03 1.16090000e+03 6.35370000e+02 4.23610000e+02 1.76070000e+03 9.38130000e+02 4.48890000e+02 1.60060000e+02 7.89860000e+01 4.66700000e+01 3.08610000e+01 1.65690000e+01 1.04930000e+01 4.82960000e+00] JM2 = 1.04045515984 JM3 = 1.14166856104 K = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 1346.1 725.75 350.65 126.12 62.563 37.111 24.614 13.274 8.4299 3.8927] JM1 = 1.02301888105 M = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.85290000e+05 2.52430000e+05 4.28100000e+05 3.66740000e+05 3.08330000e+05 3.73100000e+05 2.56610000e+05 2.34130000e+05 2.48590000e+05 2.15650000e+05 2.23640000e+05 1.86310000e+05 9.10720000e+04 5.18580000e+04 1.83020000e+04 1.28920000e+04 1.26270000e+04 8.64330000e+03 7.58190000e+03 7.42500000e+03 6.91420000e+03 6.77080000e+03 2.96690000e+03 1.37850000e+03 7.57630000e+02 4.63550000e+02 2.12800000e+02 1.16150000e+02 7.73370000e+01 7.56820000e+01 3.87060000e+01 1.78780000e+01 6.16580000e+00 2.97920000e+00 1.73170000e+00 1.13040000e+00 5.95140000e-01 3.72080000e-01 1.68690000e-01] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.33110000e+04 1.54900000e+04 1.35340000e+04 2.29670000e+04 2.14450000e+04 2.57100000e+04 1.16950000e+04 5.53790000e+03 3.07590000e+03 1.89330000e+03 8.74890000e+02 4.79090000e+02 3.19490000e+02 3.12680000e+02 1.60210000e+02 7.41190000e+01 2.56130000e+01 1.23980000e+01 7.21840000e+00 4.71880000e+00 2.49040000e+00 1.55970000e+00 7.08840000e-01] JM4 = 1.39708762471 JM5 = 2.38153181885 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 9.72020000e+03 9.13370000e+03 8.99400000e+03 4.09030000e+03 1.90420000e+03 1.03690000e+03 6.25330000e+02 2.78260000e+02 1.47500000e+02 9.61450000e+01 9.39800000e+01 4.63350000e+01 2.04960000e+01 6.65900000e+00 3.09080000e+00 1.74510000e+00 1.11550000e+00 5.71160000e-01 3.51880000e-01 1.58570000e-01] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.33110000e+04 1.54900000e+04 1.35340000e+04 1.32470000e+04 1.23110000e+04 1.20480000e+04 4.91010000e+03 2.09580000e+03 1.06520000e+03 6.07710000e+02 2.47780000e+02 1.22750000e+02 7.64500000e+01 7.45470000e+01 3.41030000e+01 1.38560000e+01 4.02450000e+00 1.74060000e+00 9.36350000e-01 5.77900000e-01 2.81720000e-01 1.67830000e-01 7.15930000e-02] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.66860000e+03 2.69460000e+03 1.53790000e+03 9.73850000e+02 6.60300000e+02 3.48850000e+02 2.08840000e+02 1.46890000e+02 1.44150000e+02 7.97770000e+01 3.97660000e+01 1.49300000e+01 7.56640000e+00 4.53700000e+00 3.02540000e+00 1.63750000e+00 1.04000000e+00 4.78680000e-01] all other = [ 2.61380000e+06 2.48270000e+06 2.60350000e+06 1.80830000e+06 1.80560000e+06 1.45690000e+06 1.46190000e+06 1.33150000e+06 7.32290000e+05 2.99660000e+05 2.03810000e+05 2.00090000e+05 1.81580000e+05 1.78250000e+05 1.54600000e+05 1.31570000e+05 1.29120000e+05 9.13060000e+04 8.39970000e+04 8.24090000e+04 7.19330000e+04 7.05680000e+04 5.89230000e+04 2.91570000e+04 1.67400000e+04 6.00250000e+03 4.25140000e+03 4.16520000e+03 2.86650000e+03 2.51870000e+03 2.46720000e+03 2.29960000e+03 2.25250000e+03 9.97110000e+02 4.67000000e+02 2.58070000e+02 1.58550000e+02 7.32220000e+01 4.01270000e+01 2.67850000e+01 2.62200000e+01 1.34610000e+01 6.24020000e+00 2.16060000e+00 1.04590000e+00 6.08810000e-01 3.97700000e-01 2.09560000e-01 1.31050000e-01 5.94290000e-02] [U.binding] K = 116.2831 L1 = 21.7989 M5 = 3.5545 M4 = 3.7365 M1 = 5.5292 L3 = 17.1804 M3 = 4.2892 M2 = 5.1828 L2 = 21.0466 [Y] JL1 = 1.11857768221 JL3 = 3.80414198187 JL2 = 1.3686795304 energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 2.07930000e+00 2.09600000e+00 2.15760000e+00 2.17490000e+00 2.35260000e+00 2.37150000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 1.69840000e+01 1.71200000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 6.92480000e+04 3.27390000e+04 1.78840000e+04 1.64110000e+04 1.61220000e+04 1.51090000e+04 1.48400000e+04 1.24120000e+04 1.21870000e+04 6.97480000e+03 3.37750000e+03 1.86770000e+03 1.13060000e+03 4.96740000e+02 2.56220000e+02 7.31890000e+01 4.92700000e+01 4.80250000e+01 2.90440000e+01 7.57810000e+00 2.85450000e+00 1.32530000e+00 7.04820000e-01 2.59120000e-01 1.19280000e-01 2.95850000e-02 1.12390000e-02 3.02590000e-03 1.25510000e-03 6.57800000e-04 3.98030000e-04 1.90060000e-04 1.12100000e-04 4.75840000e-05] M = [ 5.31270000e+05 2.02180000e+05 9.92170000e+04 8.99830000e+04 8.81950000e+04 8.19800000e+04 8.03460000e+04 6.58500000e+04 6.45280000e+04 3.52940000e+04 1.66270000e+04 9.18290000e+03 5.62150000e+03 2.56800000e+03 1.38860000e+03 4.47570000e+02 3.15230000e+02 3.08190000e+02 1.98230000e+02 6.20200000e+01 2.69330000e+01 1.40260000e+01 8.20300000e+00 3.49950000e+00 1.80110000e+00 5.37690000e-01 2.29210000e-01 7.08710000e-02 3.19390000e-02 1.77430000e-02 1.12440000e-02 5.75470000e-03 3.57490000e-03 1.65030000e-03] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.78830000e+05 2.54060000e+05 3.82700000e+05 3.18100000e+05 3.65860000e+05 2.04360000e+05 9.79510000e+04 5.44450000e+04 3.34050000e+04 1.52680000e+04 8.24350000e+03 2.64570000e+03 1.86110000e+03 1.81950000e+03 1.16860000e+03 3.64350000e+02 1.57860000e+02 8.20650000e+01 4.79300000e+01 2.04090000e+01 1.04900000e+01 3.12490000e+00 1.33130000e+00 4.11070000e-01 1.85130000e-01 1.02820000e-01 6.51540000e-02 3.33450000e-02 2.07180000e-02 9.56860000e-03] M5 = [ 1.61920000e+05 4.69710000e+04 1.83770000e+04 1.61310000e+04 1.57030000e+04 1.42390000e+04 1.38600000e+04 1.06040000e+04 1.03180000e+04 4.53460000e+03 1.59460000e+03 6.89600000e+02 3.41990000e+02 1.09930000e+02 4.45310000e+01 8.20860000e+00 4.83640000e+00 4.67420000e+00 2.39580000e+00 4.10300000e-01 1.15740000e-01 4.31630000e-02 1.92690000e-02 5.38870000e-03 2.03570000e-03 3.62140000e-04 1.11620000e-04 2.34780000e-05 8.45730000e-06 4.07540000e-06 2.38090000e-06 1.06620000e-06 6.31710000e-07 2.72200000e-07] M4 = [ 1.10940000e+05 3.23650000e+04 1.27150000e+04 1.11680000e+04 1.08730000e+04 9.86400000e+03 9.60240000e+03 7.35580000e+03 7.15810000e+03 3.15820000e+03 1.11640000e+03 4.84950000e+02 2.41450000e+02 7.81440000e+01 3.18460000e+01 5.94700000e+00 3.52000000e+00 3.40290000e+00 1.75500000e+00 3.06020000e-01 8.76110000e-02 3.30830000e-02 1.49310000e-02 4.28350000e-03 1.64190000e-03 2.98030000e-04 9.25190000e-05 1.92230000e-05 6.76970000e-06 3.15610000e-06 1.73280000e-06 7.40490000e-07 3.95530000e-07 1.54630000e-07] L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.32850000e+05 1.09430000e+05 1.07440000e+05 5.79970000e+04 2.63850000e+04 1.39630000e+04 8.17660000e+03 3.42440000e+03 1.71000000e+03 4.65060000e+02 3.09190000e+02 3.01150000e+02 1.79600000e+02 4.54840000e+01 1.68500000e+01 7.74020000e+00 4.08610000e+00 1.48810000e+00 6.81020000e-01 1.67270000e-01 6.32480000e-02 1.69450000e-02 7.00770000e-03 3.66520000e-03 2.21560000e-03 1.06030000e-03 6.25120000e-04 2.64950000e-04] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.78830000e+05 2.54060000e+05 2.49850000e+05 2.08670000e+05 2.04490000e+05 1.08320000e+05 4.86090000e+04 2.54190000e+04 1.47430000e+04 6.08720000e+03 3.00350000e+03 7.97980000e+02 5.26490000e+02 5.12540000e+02 3.02590000e+02 7.44280000e+01 2.69270000e+01 1.21190000e+01 6.28370000e+00 2.21870000e+00 9.89500000e-01 2.31330000e-01 8.45520000e-02 2.18120000e-02 8.90810000e-03 4.66690000e-03 2.84840000e-03 1.39080000e-03 8.42640000e-04 3.78890000e-04] M3 = [ 1.37840000e+05 6.35250000e+04 3.41710000e+04 3.12920000e+04 3.07290000e+04 2.87570000e+04 2.82350000e+04 2.35230000e+04 2.30860000e+04 1.30630000e+04 6.23890000e+03 3.41290000e+03 2.04740000e+03 8.86430000e+02 4.51780000e+02 1.26050000e+02 8.41910000e+01 8.20220000e+01 4.90970000e+01 1.24350000e+01 4.57270000e+00 2.07990000e+00 1.08640000e+00 3.87290000e-01 1.73770000e-01 4.09150000e-02 1.50200000e-02 3.89200000e-03 1.59210000e-03 8.34390000e-04 5.09540000e-04 2.49740000e-04 1.51330000e-04 6.78430000e-05] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.39330000e+04 3.80370000e+04 2.29570000e+04 1.50630000e+04 1.04860000e+04 5.75680000e+03 3.53010000e+03 1.38260000e+03 1.02540000e+03 1.00580000e+03 6.86400000e+02 2.44430000e+02 1.14080000e+02 6.22050000e+01 3.75600000e+01 1.67020000e+01 8.81960000e+00 2.72630000e+00 1.18350000e+00 3.72310000e-01 1.69210000e-01 9.44870000e-02 6.00900000e-02 3.08940000e-02 1.92510000e-02 8.92470000e-03] JK = 6.67611463535 M1 = [ 5.13220000e+04 2.65840000e+04 1.60690000e+04 1.49820000e+04 1.47680000e+04 1.40110000e+04 1.38090000e+04 1.19540000e+04 1.17790000e+04 7.56350000e+03 4.30000000e+03 2.72770000e+03 1.86000000e+03 9.96730000e+02 6.04200000e+02 2.34180000e+02 1.73410000e+02 1.70070000e+02 1.15940000e+02 4.12910000e+01 1.93030000e+01 1.05450000e+01 6.37760000e+00 2.84340000e+00 1.50440000e+00 4.66530000e-01 2.02750000e-01 6.39110000e-02 2.90760000e-02 1.62440000e-02 1.03330000e-02 5.31310000e-03 3.31050000e-03 1.53440000e-03] all other = [ 3.82440000e+04 1.74110000e+04 9.53050000e+03 8.76120000e+03 8.61070000e+03 8.08240000e+03 7.94260000e+03 6.67910000e+03 6.56180000e+03 3.85270000e+03 1.95580000e+03 1.13520000e+03 7.19990000e+02 3.45010000e+02 1.92530000e+02 6.50620000e+01 4.63680000e+01 4.53670000e+01 2.95930000e+01 9.54620000e+00 4.21620000e+00 2.21990000e+00 1.30830000e+00 5.63830000e-01 2.92060000e-01 8.79630000e-02 3.76930000e-02 1.17080000e-02 5.28850000e-03 2.94210000e-03 1.86620000e-03 9.56380000e-04 5.94770000e-04 2.75280000e-04] total = [ 5.69520000e+05 2.19600000e+05 1.08750000e+05 9.87450000e+04 3.75640000e+05 3.44120000e+05 4.70990000e+05 3.90630000e+05 4.36950000e+05 2.43500000e+05 1.16530000e+05 6.47630000e+04 3.97470000e+04 1.81810000e+04 9.82460000e+03 3.15830000e+03 2.22270000e+03 1.48390000e+04 9.97460000e+03 3.34980000e+03 1.50670000e+03 7.99630000e+02 4.73050000e+02 2.04410000e+02 1.05880000e+02 3.18060000e+01 1.35910000e+01 4.20660000e+00 1.89730000e+00 1.05530000e+00 6.69690000e-01 3.43750000e-01 2.14160000e-01 9.93710000e-02] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.26660000e+04 8.57820000e+03 2.91390000e+03 1.31770000e+03 7.01320000e+02 4.15610000e+02 1.79940000e+02 9.33010000e+01 2.80550000e+01 1.19930000e+01 3.71300000e+00 1.67500000e+00 9.31750000e-01 5.91420000e-01 3.03700000e-01 1.89270000e-01 8.78760000e-02] [Y.binding] K = 17.0008 L1 = 2.355 M5 = 0.1665 M4 = 0.1687 M1 = 0.3859 L3 = 2.0814 M3 = 0.2999 M2 = 0.3123 L2 = 2.1598 [Ac] JL1 = 1.13412223062 JL3 = 2.37072346917 JL2 = 1.38319227024 energy = [ 1.00000000e+00 1.10420000e+00 1.11300000e+00 1.25000000e+00 1.26000000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 3.22030000e+00 3.24610000e+00 3.37590000e+00 3.40300000e+00 3.89970000e+00 3.93090000e+00 4.00000000e+00 4.65110000e+00 4.68830000e+00 4.97500000e+00 5.00000000e+00 5.01480000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 1.58660000e+01 1.59930000e+01 1.91450000e+01 1.92990000e+01 1.98490000e+01 2.00000000e+01 2.00080000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.07210000e+02 1.08070000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 4.29726437036 M5 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.38250000e+05 2.88560000e+05 2.82830000e+05 2.00560000e+05 1.96190000e+05 1.86900000e+05 1.21150000e+05 1.18360000e+05 1.00080000e+05 9.86790000e+04 9.78600000e+04 5.74840000e+04 2.37490000e+04 1.15990000e+04 2.97270000e+03 2.44850000e+03 2.38160000e+03 1.26600000e+03 1.23070000e+03 1.11340000e+03 1.08380000e+03 1.08220000e+03 2.48090000e+02 8.44920000e+01 3.61290000e+01 1.79230000e+01 5.88780000e+00 2.47900000e+00 1.89370000e+00 1.83630000e+00 5.22430000e-01 1.77430000e-01 4.13830000e-02 1.57280000e-02 7.83030000e-03 4.55860000e-03 2.07020000e-03 1.17930000e-03 4.83980000e-04] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.14340000e+05 1.45860000e+05 1.42910000e+05 1.36560000e+05 8.99150000e+04 8.78950000e+04 7.40290000e+04 7.30290000e+04 7.24450000e+04 4.33380000e+04 1.82790000e+04 9.08480000e+03 2.40730000e+03 1.99290000e+03 1.93980000e+03 1.04790000e+03 1.01940000e+03 9.24680000e+02 9.00690000e+02 8.99410000e+02 2.14500000e+02 7.53330000e+01 3.30390000e+01 1.67470000e+01 5.69690000e+00 2.46490000e+00 1.89890000e+00 1.84300000e+00 5.44160000e-01 1.89850000e-01 4.52340000e-02 1.71660000e-02 8.46820000e-03 4.85420000e-03 2.12970000e-03 1.19660000e-03 4.62240000e-04] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.41210000e+04 1.40100000e+04 1.10290000e+04 7.15950000e+03 4.98530000e+03 2.44600000e+03 2.20370000e+03 2.17120000e+03 1.54420000e+03 1.52050000e+03 1.43990000e+03 1.41890000e+03 1.41780000e+03 6.29390000e+02 3.43030000e+02 2.10830000e+02 1.40230000e+02 7.24240000e+01 4.28180000e+01 3.62670000e+01 3.55820000e+01 1.61020000e+01 7.96250000e+00 2.96150000e+00 1.49160000e+00 8.90270000e-01 5.91600000e-01 3.18780000e-01 2.02000000e-01 9.28110000e-02] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 7.81110000e+04 7.70820000e+04 6.03660000e+04 5.95510000e+04 5.34710000e+04 5.29680000e+04 5.26720000e+04 3.75550000e+04 2.11480000e+04 1.30610000e+04 5.07950000e+03 4.42980000e+03 4.34400000e+03 2.76690000e+03 2.71140000e+03 2.52330000e+03 2.47480000e+03 2.47220000e+03 8.42840000e+02 3.77340000e+02 1.98330000e+02 1.15940000e+02 4.88480000e+01 2.47060000e+01 1.99450000e+01 1.94620000e+01 7.07030000e+00 2.91590000e+00 8.59760000e-01 3.74590000e-01 2.02620000e-01 1.25280000e-01 6.13200000e-02 3.66030000e-02 1.56410000e-02] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.22200000e+04 2.09080000e+04 2.07980000e+04 2.07350000e+04 1.66360000e+04 1.06870000e+04 7.19470000e+03 3.19980000e+03 2.83970000e+03 2.79140000e+03 1.87620000e+03 1.84290000e+03 1.72910000e+03 1.69960000e+03 1.69800000e+03 6.49770000e+02 3.15280000e+02 1.76410000e+02 1.08570000e+02 4.96510000e+01 2.67830000e+01 2.20640000e+01 2.15780000e+01 8.62120000e+00 3.85920000e+00 1.26770000e+00 5.91010000e-01 3.34640000e-01 2.13890000e-01 1.09540000e-01 6.75200000e-02 3.03990000e-02] total = [ 2.43380000e+06 2.02970000e+06 2.02900000e+06 1.62740000e+06 1.63490000e+06 1.15730000e+06 6.34720000e+05 2.59110000e+05 2.20470000e+05 5.54730000e+05 4.86420000e+05 6.91440000e+05 4.88060000e+05 5.56240000e+05 5.34030000e+05 3.64970000e+05 3.79810000e+05 3.28170000e+05 3.38330000e+05 3.35910000e+05 2.16790000e+05 1.06080000e+05 6.02820000e+04 2.12350000e+04 1.83560000e+04 4.35170000e+04 2.67020000e+04 3.69340000e+04 3.43940000e+04 3.90070000e+04 3.89740000e+04 1.37600000e+04 6.45080000e+03 3.55850000e+03 2.18010000e+03 1.00080000e+03 5.45590000e+02 4.51450000e+02 1.94000000e+03 8.36990000e+02 3.96930000e+02 1.40280000e+02 6.87920000e+01 4.04730000e+01 2.66780000e+01 1.42720000e+01 9.02490000e+00 4.15220000e+00] JM2 = 1.04066087624 JM3 = 1.13969593902 K = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 1498.2 655.84 313.54 111.66 55.004 32.469 21.46 11.526 7.3074 3.3727] JM1 = 1.03095956364 M = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.38250000e+05 2.88560000e+05 4.97170000e+05 3.46420000e+05 4.17210000e+05 4.00540000e+05 2.71430000e+05 2.88030000e+05 2.48480000e+05 2.59600000e+05 2.57720000e+05 1.66040000e+05 8.10230000e+04 4.59240000e+04 1.61050000e+04 1.39150000e+04 1.36280000e+04 8.50130000e+03 8.32480000e+03 7.73040000e+03 7.57780000e+03 7.56960000e+03 2.58460000e+03 1.19550000e+03 6.54740000e+02 3.99410000e+02 1.82510000e+02 9.92510000e+01 8.20690000e+01 8.03010000e+01 3.28600000e+01 1.51050000e+01 5.17560000e+00 2.49010000e+00 1.44380000e+00 9.40170000e-01 4.93840000e-01 3.08500000e-01 1.39800000e-01] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.55370000e+04 1.54660000e+04 2.59300000e+04 2.41730000e+04 2.89870000e+04 2.89650000e+04 1.03300000e+04 4.86100000e+03 2.68660000e+03 1.64760000e+03 7.57130000e+02 4.12910000e+02 3.41690000e+02 3.34360000e+02 1.37150000e+02 6.31400000e+01 2.16740000e+01 1.04450000e+01 6.06490000e+00 3.95470000e+00 2.08200000e+00 1.30290000e+00 5.91680000e-01] JM4 = 1.42148760331 JM5 = 2.51612464281 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.07900000e+04 1.01350000e+04 9.97140000e+03 9.96160000e+03 3.50810000e+03 1.61250000e+03 8.69240000e+02 5.20310000e+02 2.28810000e+02 1.20230000e+02 9.83020000e+01 9.60610000e+01 3.72280000e+01 1.63130000e+01 5.23950000e+00 2.41520000e+00 1.35870000e+00 8.64880000e-01 4.40910000e-01 2.71200000e-01 1.21640000e-01] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.55370000e+04 1.54660000e+04 1.51400000e+04 1.40380000e+04 1.37550000e+04 1.37390000e+04 4.28190000e+03 1.81010000e+03 9.15120000e+02 5.20040000e+02 2.10730000e+02 1.03890000e+02 8.32720000e+01 8.11870000e+01 2.86460000e+01 1.15800000e+01 3.34500000e+00 1.44300000e+00 7.76390000e-01 4.78470000e-01 2.33410000e-01 1.39350000e-01 5.95590000e-02] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.26070000e+03 5.26430000e+03 2.53970000e+03 1.43840000e+03 9.02210000e+02 6.07200000e+02 3.17580000e+02 1.88780000e+02 1.60120000e+02 1.57110000e+02 7.12760000e+01 3.52470000e+01 1.30900000e+01 6.58630000e+00 3.92980000e+00 2.61140000e+00 1.40760000e+00 8.92380000e-01 4.10480000e-01] all other = [ 2.43380000e+06 2.02970000e+06 2.02900000e+06 1.62740000e+06 1.63490000e+06 1.15730000e+06 6.34720000e+05 2.59110000e+05 2.20470000e+05 2.16480000e+05 1.97860000e+05 1.94270000e+05 1.41650000e+05 1.39030000e+05 1.33490000e+05 9.35390000e+04 9.17840000e+04 7.96860000e+04 7.87380000e+04 7.81820000e+04 5.07480000e+04 2.50550000e+04 1.43580000e+04 5.12990000e+03 4.44170000e+03 4.35160000e+03 2.73500000e+03 2.67900000e+03 2.49050000e+03 2.44210000e+03 2.43940000e+03 8.45220000e+02 3.94320000e+02 2.17230000e+02 1.33110000e+02 6.12110000e+01 3.34280000e+01 2.76820000e+01 2.70890000e+01 1.11450000e+01 5.14220000e+00 1.76920000e+00 8.53100000e-01 4.95230000e-01 3.22720000e-01 1.69660000e-01 1.06050000e-01 4.80550000e-02] [Ac.binding] K = 107.3156 L1 = 19.8691 M5 = 3.2235 M4 = 3.3793 M1 = 4.98 L3 = 15.8815 M3 = 3.9036 M2 = 4.6557 L2 = 19.1644 [Ag] JL1 = 1.12380624624 JL3 = 3.24808555777 JL2 = 1.34873048336 energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 3.34650000e+00 3.37330000e+00 3.52470000e+00 3.55300000e+00 3.77990000e+00 3.81020000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 2.54650000e+01 2.56690000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 9.95310000e+04 5.41150000e+04 3.20290000e+04 1.38530000e+04 1.08560000e+04 1.06620000e+04 9.64420000e+03 9.46900000e+03 8.20410000e+03 8.05270000e+03 7.18190000e+03 4.17770000e+03 2.63220000e+03 1.22770000e+03 6.61560000e+02 2.03790000e+02 8.50940000e+01 3.99980000e+01 3.90020000e+01 2.37290000e+01 9.33400000e+00 4.47370000e+00 2.43920000e+00 9.30660000e-01 4.40020000e-01 1.13770000e-01 4.43720000e-02 1.23550000e-02 5.21910000e-03 2.76670000e-03 1.69040000e-03 8.15790000e-04 4.84230000e-04 2.07240000e-04] M = [ 1.12450000e+06 4.41290000e+05 2.19580000e+05 7.92590000e+04 5.98790000e+04 5.86610000e+04 5.23740000e+04 5.13050000e+04 4.37020000e+04 4.28060000e+04 3.77170000e+04 2.09990000e+04 1.29390000e+04 5.96660000e+03 3.24750000e+03 1.05920000e+03 4.73380000e+02 2.39200000e+02 2.33850000e+02 1.50060000e+02 6.58180000e+01 3.45670000e+01 2.03670000e+01 8.79880000e+00 4.57550000e+00 1.39260000e+00 6.02230000e-01 1.89550000e-01 8.63750000e-02 4.83140000e-02 3.07480000e-02 1.57890000e-02 9.81080000e-03 4.50580000e-03] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.56100000e+05 1.40220000e+05 2.11350000e+05 1.82110000e+05 2.11920000e+05 1.89330000e+05 1.07150000e+05 6.68380000e+04 3.12300000e+04 1.70950000e+04 5.60160000e+03 2.50550000e+03 1.26600000e+03 1.23770000e+03 7.94160000e+02 3.48220000e+02 1.82810000e+02 1.07670000e+02 4.64780000e+01 2.41530000e+01 7.34160000e+00 3.17220000e+00 9.97880000e-01 4.54510000e-01 2.54190000e-01 1.61770000e-01 8.30980000e-02 5.16440000e-02 2.37370000e-02] M5 = [ 4.41620000e+05 1.41660000e+05 5.93030000e+04 1.59890000e+04 1.10590000e+04 1.07630000e+04 9.26390000e+03 9.01400000e+03 7.28210000e+03 7.08370000e+03 5.98140000e+03 2.71180000e+03 1.39520000e+03 4.73330000e+02 1.99510000e+02 3.95020000e+01 1.20850000e+01 4.38430000e+00 4.23890000e+00 2.18570000e+00 6.37090000e-01 2.43500000e-01 1.10890000e-01 3.21420000e-02 1.23940000e-02 2.27010000e-03 7.07540000e-04 1.51520000e-04 5.53510000e-05 2.70600000e-05 1.57910000e-05 7.04360000e-06 4.17790000e-06 1.71460000e-06] M4 = [ 3.02960000e+05 9.80160000e+04 4.12720000e+04 1.12240000e+04 7.78250000e+03 7.57550000e+03 6.52670000e+03 6.35190000e+03 5.13900000e+03 5.00000000e+03 4.22680000e+03 1.92700000e+03 9.96320000e+02 3.40880000e+02 1.44740000e+02 2.90970000e+01 9.01590000e+00 3.31080000e+00 3.20230000e+00 1.66560000e+00 4.94000000e-01 1.91610000e-01 8.83670000e-02 2.61490000e-02 1.02460000e-02 1.92370000e-03 6.11050000e-04 1.30540000e-04 4.65160000e-05 2.17390000e-05 1.21050000e-05 5.17580000e-06 2.78400000e-06 1.03690000e-06] L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 7.38350000e+04 6.36180000e+04 6.24700000e+04 5.56940000e+04 3.06030000e+04 1.85010000e+04 8.12830000e+03 4.20490000e+03 1.21540000e+03 4.88940000e+02 2.23780000e+02 2.18030000e+02 1.30710000e+02 5.02370000e+01 2.37210000e+01 1.27970000e+01 4.81490000e+00 2.25640000e+00 5.76380000e-01 2.23400000e-01 6.16890000e-02 2.59710000e-02 1.37390000e-02 8.37930000e-03 4.03440000e-03 2.40040000e-03 1.02630000e-03] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.56100000e+05 1.40220000e+05 1.37510000e+05 1.18500000e+05 1.16160000e+05 1.02360000e+05 5.48820000e+04 3.27480000e+04 1.41110000e+04 7.17940000e+03 2.01190000e+03 7.90530000e+02 3.54310000e+02 3.44960000e+02 2.03820000e+02 7.61120000e+01 3.50770000e+01 1.85270000e+01 6.72430000e+00 3.05860000e+00 7.38120000e-01 2.75010000e-01 7.24870000e-02 2.99130000e-02 1.57450000e-02 9.63270000e-03 4.71950000e-03 2.85040000e-03 1.26830000e-03] M3 = [ 2.09860000e+05 1.08140000e+05 6.22980000e+04 2.60700000e+04 2.02600000e+04 1.98850000e+04 1.79310000e+04 1.75950000e+04 1.51760000e+04 1.48870000e+04 1.32300000e+04 7.57620000e+03 4.71250000e+03 2.15360000e+03 1.14180000e+03 3.40960000e+02 1.39020000e+02 6.39620000e+01 6.23220000e+01 3.73620000e+01 1.42740000e+01 6.67500000e+00 3.56220000e+00 1.31070000e+00 6.01390000e-01 1.46920000e-01 5.50940000e-02 1.45880000e-02 6.03910000e-03 3.18460000e-03 1.94930000e-03 9.54770000e-04 5.79000000e-04 2.57610000e-04] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.32960000e+04 3.12710000e+04 2.16640000e+04 1.55890000e+04 8.99020000e+03 5.71060000e+03 2.37440000e+03 1.22610000e+03 6.87930000e+02 6.74720000e+02 4.59640000e+02 2.21870000e+02 1.24020000e+02 7.63420000e+01 3.49390000e+01 1.88380000e+01 6.02710000e+00 2.67380000e+00 8.63710000e-01 3.98630000e-01 2.24710000e-01 1.43760000e-01 7.43440000e-02 4.63930000e-02 2.14420000e-02] JK = 6.20432676784 M1 = [ 7.05720000e+04 3.93500000e+04 2.46740000e+04 1.21230000e+04 9.92190000e+03 9.77620000e+03 9.00780000e+03 8.87430000e+03 7.90000000e+03 7.78200000e+03 7.09690000e+03 4.60670000e+03 3.20310000e+03 1.77100000e+03 1.09990000e+03 4.45870000e+02 2.28160000e+02 1.27550000e+02 1.25080000e+02 8.51190000e+01 4.10790000e+01 2.29830000e+01 1.41660000e+01 6.49920000e+00 3.51150000e+00 1.12770000e+00 5.01440000e-01 1.62330000e-01 7.50150000e-02 4.23140000e-02 2.70810000e-02 1.40060000e-02 8.74060000e-03 4.03820000e-03] all other = [ 1.34900000e+05 5.71600000e+04 3.00380000e+04 1.16360000e+04 8.93930000e+03 8.76800000e+03 7.87930000e+03 7.72740000e+03 6.64010000e+03 6.51120000e+03 5.77580000e+03 3.30930000e+03 2.08190000e+03 9.90220000e+02 5.50620000e+02 1.85530000e+02 8.45100000e+01 4.33010000e+01 4.23510000e+01 2.73950000e+01 1.21690000e+01 6.44620000e+00 3.82110000e+00 1.66430000e+00 8.69980000e-01 2.66770000e-01 1.15820000e-01 3.66190000e-02 1.67200000e-02 9.36340000e-03 5.96370000e-03 3.06560000e-03 1.90590000e-03 8.76460000e-04] total = [ 1.25940000e+06 4.98450000e+05 2.49610000e+05 9.08950000e+04 6.88190000e+04 2.23530000e+05 2.00470000e+05 2.70380000e+05 2.32460000e+05 2.61240000e+05 2.32820000e+05 1.31460000e+05 8.18590000e+04 3.81870000e+04 2.08930000e+04 6.84640000e+03 3.06340000e+03 1.54850000e+03 9.60740000e+03 6.43370000e+03 2.98360000e+03 1.61690000e+03 9.71650000e+02 4.29290000e+02 2.25930000e+02 6.96640000e+01 3.02660000e+01 9.56430000e+00 4.36800000e+00 2.44880000e+00 1.56210000e+00 8.05930000e-01 5.02780000e-01 2.32620000e-01] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 8.09350000e+03 5.46210000e+03 2.55740000e+03 1.39300000e+03 8.39790000e+02 3.72350000e+02 1.96330000e+02 6.06630000e+01 2.63760000e+01 8.34030000e+00 3.81040000e+00 2.13690000e+00 1.36360000e+00 7.03980000e-01 4.39420000e-01 2.03500000e-01] [Ag.binding] K = 25.4903 L1 = 3.7837 M5 = 0.3765 M4 = 0.383 M1 = 0.704 L3 = 3.3499 M3 = 0.5685 M2 = 0.6003 L2 = 3.5283 [Ir] JL1 = 1.13187369945 JL3 = 2.52531006343 JL2 = 1.36035525749 energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 2.04250000e+00 2.05880000e+00 2.12110000e+00 2.13800000e+00 2.53640000e+00 2.55670000e+00 2.89790000e+00 2.92110000e+00 3.00000000e+00 3.14430000e+00 3.16950000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.12030000e+01 1.12920000e+01 1.28470000e+01 1.29500000e+01 1.33880000e+01 1.34960000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 7.62740000e+01 7.68850000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 4.86590809922 M5 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 7.55760000e+04 5.11490000e+05 5.17700000e+05 3.44610000e+05 3.37250000e+05 2.39530000e+05 2.34320000e+05 2.17690000e+05 1.92630000e+05 1.88520000e+05 9.69960000e+04 4.96240000e+04 2.81130000e+04 1.10740000e+04 5.22930000e+03 3.53650000e+03 3.44000000e+03 2.19080000e+03 2.12990000e+03 1.89300000e+03 1.84020000e+03 1.26170000e+03 4.41680000e+02 9.56980000e+01 3.13810000e+01 1.30450000e+01 6.32980000e+00 2.43420000e+00 2.35800000e+00 2.01270000e+00 8.27930000e-01 1.68130000e-01 5.58730000e-02 1.27950000e-02 4.82290000e-03 2.37870000e-03 1.38350000e-03 6.24910000e-04 3.60020000e-04 1.47380000e-04] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.16960000e+04 2.44650000e+05 2.39550000e+05 1.71270000e+05 1.67620000e+05 1.55920000e+05 1.37170000e+05 1.35100000e+05 7.05640000e+04 3.65780000e+04 2.09440000e+04 8.38200000e+03 4.01280000e+03 2.73430000e+03 2.66100000e+03 1.70930000e+03 1.66270000e+03 1.48100000e+03 1.44040000e+03 9.95030000e+02 3.55790000e+02 7.97030000e+01 2.68360000e+01 1.14030000e+01 5.63860000e+00 2.22450000e+00 2.15680000e+00 1.84880000e+00 7.78990000e-01 1.64720000e-01 5.59640000e-02 1.29880000e-02 4.85080000e-03 2.34610000e-03 1.33220000e-03 5.84620000e-04 3.20720000e-04 1.25310000e-04] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.43140000e+04 1.79060000e+04 1.28520000e+04 9.62620000e+03 5.89550000e+03 3.94210000e+03 3.19060000e+03 3.14320000e+03 2.45670000e+03 2.41910000e+03 2.26830000e+03 2.23350000e+03 1.81580000e+03 1.01590000e+03 4.30270000e+02 2.27470000e+02 1.36570000e+02 8.91180000e+01 5.01590000e+01 4.91980000e+01 4.46710000e+01 2.58040000e+01 9.30600000e+00 4.46910000e+00 1.59730000e+00 7.83840000e-01 4.59650000e-01 3.01750000e-01 1.60370000e-01 1.00990000e-01 4.63710000e-02] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.19560000e+05 1.01420000e+05 1.00150000e+05 9.58620000e+04 8.83810000e+04 8.71460000e+04 5.79320000e+04 3.78650000e+04 2.61330000e+04 1.39300000e+04 8.28850000e+03 6.30300000e+03 6.18100000e+03 4.48850000e+03 4.39960000e+03 4.04490000e+03 3.96390000e+03 3.02330000e+03 1.41000000e+03 4.53550000e+02 1.95350000e+02 9.97420000e+01 5.69900000e+01 2.69580000e+01 2.62900000e+01 2.32000000e+01 1.14450000e+01 3.14380000e+00 1.26450000e+00 3.62800000e-01 1.56030000e-01 8.38130000e-02 5.17130000e-02 2.53320000e-02 1.51890000e-02 6.58190000e-03] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.97750000e+04 3.84180000e+04 3.67500000e+04 3.64650000e+04 2.63800000e+04 1.87830000e+04 1.36070000e+04 7.81200000e+03 4.88910000e+03 3.80720000e+03 3.73990000e+03 2.79250000e+03 2.74150000e+03 2.53740000e+03 2.49060000e+03 1.94230000e+03 9.60070000e+02 3.35190000e+02 1.53200000e+02 8.20110000e+01 4.87520000e+01 2.43290000e+01 2.37690000e+01 2.11660000e+01 1.09920000e+01 3.32090000e+00 1.42790000e+00 4.46770000e-01 2.02350000e-01 1.12310000e-01 7.08030000e-02 3.56530000e-02 2.17550000e-02 9.64130000e-03] total = [ 1.35050000e+06 6.02200000e+05 3.25910000e+05 3.11260000e+05 3.81440000e+05 7.97970000e+05 8.50890000e+05 7.81470000e+05 8.85130000e+05 6.54120000e+05 6.81180000e+05 6.38890000e+05 5.72440000e+05 5.86900000e+05 3.36520000e+05 1.94710000e+05 1.23380000e+05 5.92830000e+04 3.32890000e+04 2.47530000e+04 6.25090000e+04 4.41370000e+04 6.00420000e+04 5.52650000e+04 6.25530000e+04 4.78480000e+04 2.26470000e+04 7.69340000e+03 3.52780000e+03 1.91480000e+03 1.15840000e+03 5.95860000e+02 2.89940000e+03 2.61820000e+03 1.45580000e+03 4.94370000e+02 2.28250000e+02 7.78970000e+01 3.73450000e+01 2.16270000e+01 1.41000000e+01 7.44940000e+00 4.68570000e+00 2.15570000e+00] JM2 = 1.04136855623 JM3 = 1.13264744648 K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.31660000e+03 2.09630000e+03 1.17530000e+03 4.03570000e+02 1.87200000e+02 6.41530000e+01 3.08320000e+01 1.78890000e+01 1.16820000e+01 6.18730000e+00 3.89900000e+00 1.79830000e+00] JM1 = 1.02526028929 M = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 7.55760000e+04 5.11490000e+05 5.69400000e+05 5.89260000e+05 6.96350000e+05 5.12220000e+05 5.41870000e+05 5.07890000e+05 4.54930000e+05 4.71550000e+05 2.69780000e+05 1.55700000e+05 9.84220000e+04 4.70930000e+04 2.63620000e+04 1.95720000e+04 1.91650000e+04 1.36380000e+04 1.33530000e+04 1.22240000e+04 1.19690000e+04 9.03820000e+03 4.18340000e+03 1.39440000e+03 6.34240000e+02 3.42770000e+02 2.06830000e+02 1.06100000e+02 1.03770000e+02 9.28990000e+01 4.98470000e+01 1.61040000e+01 7.27340000e+00 2.43260000e+00 1.15190000e+00 6.60490000e-01 4.26980000e-01 2.22560000e-01 1.38610000e-01 6.28670000e-02] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.82670000e+04 2.68570000e+04 4.31210000e+04 3.97680000e+04 4.73780000e+04 3.63740000e+04 1.73180000e+04 5.91050000e+03 2.71490000e+03 1.47470000e+03 8.92580000e+02 4.59280000e+02 4.49220000e+02 4.02280000e+02 2.16260000e+02 7.00110000e+01 3.16510000e+01 1.05970000e+01 5.02250000e+00 2.88260000e+00 1.86510000e+00 9.73820000e-01 6.07230000e-01 2.75960000e-01] JM4 = 1.06631828264 JM5 = 1.22547066761 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.68210000e+04 1.56700000e+04 1.52980000e+04 1.16420000e+04 5.45420000e+03 1.75830000e+03 7.66320000e+02 3.96970000e+02 2.30430000e+02 1.11860000e+02 1.09200000e+02 9.68410000e+01 4.92280000e+01 1.44210000e+01 6.09810000e+00 1.87520000e+00 8.41990000e-01 4.64990000e-01 2.92240000e-01 1.46660000e-01 8.91850000e-02 3.94640000e-02] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.82670000e+04 2.68570000e+04 2.63000000e+04 2.40980000e+04 2.35960000e+04 1.76910000e+04 7.66080000e+03 2.27500000e+03 9.33850000e+02 4.61640000e+02 2.57660000e+02 1.18640000e+02 1.15610000e+02 1.01620000e+02 4.91060000e+01 1.30960000e+01 5.18560000e+00 1.46430000e+00 6.24930000e-01 3.34270000e-01 2.05710000e-01 1.00660000e-01 6.03300000e-02 2.61180000e-02] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 8.48400000e+03 7.04080000e+03 4.20330000e+03 1.87710000e+03 1.01470000e+03 6.16140000e+02 4.04500000e+02 2.28770000e+02 2.24410000e+02 2.03830000e+02 1.17930000e+02 4.24940000e+01 2.03680000e+01 7.25740000e+00 3.55560000e+00 2.08330000e+00 1.36720000e+00 7.26500000e-01 4.57720000e-01 2.10370000e-01] all other = [ 1.35050000e+06 6.02200000e+05 3.25910000e+05 3.11260000e+05 3.05870000e+05 2.86480000e+05 2.81490000e+05 1.92210000e+05 1.88770000e+05 1.41900000e+05 1.39320000e+05 1.31000000e+05 1.17510000e+05 1.15360000e+05 6.67380000e+04 3.90100000e+04 2.49630000e+04 1.21900000e+04 6.92770000e+03 5.18150000e+03 5.07660000e+03 3.64190000e+03 3.56760000e+03 3.27280000e+03 3.20590000e+03 2.43590000e+03 1.14490000e+03 3.88510000e+02 1.78680000e+02 9.73120000e+01 5.90370000e+01 3.04770000e+01 2.98130000e+01 2.67150000e+01 1.44050000e+01 4.68790000e+00 2.12630000e+00 7.14120000e-01 3.38920000e-01 1.94600000e-01 1.25910000e-01 6.56950000e-02 4.09360000e-02 1.85750000e-02] [Ir.binding] K = 76.3502 L1 = 13.4017 M5 = 2.0445 M4 = 2.1232 M1 = 3.1474 L3 = 11.2139 M3 = 2.539 M2 = 2.9008 L2 = 12.8595 [Am] JL1 = 1.13243460471 JL3 = 2.31028037383 JL2 = 1.39766975456 energy = [ 1.00000000e+00 1.14580000e+00 1.15500000e+00 1.42760000e+00 1.43900000e+00 1.50000000e+00 1.59700000e+00 1.60980000e+00 2.00000000e+00 3.00000000e+00 3.88780000e+00 3.91900000e+00 4.00000000e+00 4.09910000e+00 4.13190000e+00 4.68030000e+00 4.71780000e+00 5.00000000e+00 5.73760000e+00 5.78360000e+00 6.00000000e+00 6.10690000e+00 6.15580000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 1.85070000e+01 1.86550000e+01 2.00000000e+01 2.30430000e+01 2.32270000e+01 2.38450000e+01 2.40360000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.25680000e+02 1.26690000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 4.01747602069 M5 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.51800000e+05 2.41730000e+05 2.23980000e+05 2.19340000e+05 1.59710000e+05 1.56260000e+05 1.32670000e+05 8.83360000e+04 8.64030000e+04 7.79620000e+04 7.41190000e+04 7.24240000e+04 3.28560000e+04 1.62940000e+04 4.28920000e+03 2.08870000e+03 2.03160000e+03 1.59330000e+03 9.67020000e+02 9.39960000e+02 8.55960000e+02 8.31950000e+02 3.74110000e+02 1.29590000e+02 5.61260000e+01 2.81260000e+01 9.37430000e+00 3.99280000e+00 1.66940000e+00 1.61960000e+00 8.54580000e-01 2.93840000e-01 6.92870000e-02 2.64590000e-02 1.31140000e-02 7.63420000e-03 3.48670000e-03 1.97220000e-03 8.14070000e-04] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.58380000e+05 1.17590000e+05 1.15260000e+05 9.89410000e+04 6.70560000e+04 6.55260000e+04 5.89000000e+04 5.58960000e+04 5.46950000e+04 2.54650000e+04 1.28760000e+04 3.51710000e+03 1.74790000e+03 1.70170000e+03 1.34450000e+03 8.27760000e+02 8.05300000e+02 7.35380000e+02 7.15330000e+02 3.29390000e+02 1.17950000e+02 5.24920000e+01 2.69170000e+01 9.31170000e+00 4.08240000e+00 1.75670000e+00 1.70590000e+00 9.18250000e-01 3.25090000e-01 7.86610000e-02 3.01290000e-02 1.48210000e-02 8.52220000e-03 3.80530000e-03 2.11930000e-03 8.32470000e-04] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.05980000e+04 7.40800000e+03 5.30950000e+03 2.70190000e+03 1.85270000e+03 1.82550000e+03 1.60400000e+03 1.22660000e+03 1.20790000e+03 1.14810000e+03 1.13050000e+03 7.30280000e+02 4.04580000e+02 2.51630000e+02 1.68940000e+02 8.85400000e+01 5.29380000e+01 3.09460000e+01 3.03670000e+01 2.03210000e+01 1.01980000e+01 3.87210000e+00 1.97760000e+00 1.19190000e+00 7.97480000e-01 4.33220000e-01 2.75510000e-01 1.26740000e-01] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 6.53710000e+04 5.92290000e+04 4.75100000e+04 4.68270000e+04 4.37040000e+04 4.22370000e+04 4.15850000e+04 2.50460000e+04 1.57510000e+04 6.30560000e+03 3.79870000e+03 3.72500000e+03 3.13450000e+03 2.18960000e+03 2.14530000e+03 2.00520000e+03 1.96440000e+03 1.09650000e+03 4.99760000e+02 2.66210000e+02 1.57260000e+02 6.73180000e+01 3.44480000e+01 1.72210000e+01 1.68080000e+01 1.00480000e+01 4.19420000e+00 1.25310000e+00 5.49370000e-01 2.97640000e-01 1.84150000e-01 9.01550000e-02 5.37370000e-02 2.28060000e-02] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.68200000e+04 1.62560000e+04 1.58830000e+04 1.57470000e+04 1.12900000e+04 8.04970000e+03 3.83820000e+03 2.50250000e+03 2.46120000e+03 2.12420000e+03 1.55930000e+03 1.53200000e+03 1.44530000e+03 1.41980000e+03 8.54330000e+02 4.28090000e+02 2.45160000e+02 1.53680000e+02 7.22250000e+01 3.97460000e+01 2.14040000e+01 2.09450000e+01 1.32250000e+01 6.04630000e+00 2.03800000e+00 9.64870000e-01 5.51410000e-01 3.54890000e-01 1.83620000e-01 1.13720000e-01 5.16030000e-02] total = [ 2.96770000e+06 2.33690000e+06 2.44990000e+06 1.63270000e+06 1.62800000e+06 1.49780000e+06 1.31940000e+06 1.32240000e+06 8.40380000e+05 3.43910000e+05 1.89660000e+05 4.37970000e+05 4.19210000e+05 3.91600000e+05 5.42250000e+05 4.00000000e+05 4.57290000e+05 3.95720000e+05 2.78350000e+05 2.89590000e+05 2.64560000e+05 2.53040000e+05 2.58710000e+05 1.35630000e+05 7.75810000e+04 2.75960000e+04 1.60500000e+04 3.70800000e+04 3.08510000e+04 2.09420000e+04 2.92700000e+04 2.73720000e+04 3.09970000e+04 1.76650000e+04 8.39100000e+03 4.67610000e+03 2.88640000e+03 1.33950000e+03 7.36080000e+02 3.98260000e+02 1.60000000e+03 1.04580000e+03 5.04120000e+02 1.81630000e+02 9.02180000e+01 5.35560000e+01 3.55260000e+01 1.91500000e+01 1.21470000e+01 5.59370000e+00] JM2 = 1.04038081552 JM3 = 1.143225 K = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 1210.2 798.02 388.92 141.56 70.739 42.182 28.08 15.21 9.6779 4.4714] JM1 = 1.0224075245 M = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.51800000e+05 2.41730000e+05 2.23980000e+05 3.77720000e+05 2.77300000e+05 3.36890000e+05 2.90840000e+05 2.02900000e+05 2.15580000e+05 1.96820000e+05 1.88130000e+05 1.95050000e+05 1.02070000e+05 5.82800000e+04 2.06520000e+04 1.19910000e+04 1.17450000e+04 9.80040000e+03 6.77030000e+03 6.63050000e+03 6.18990000e+03 6.06190000e+03 3.38460000e+03 1.58000000e+03 8.71620000e+02 5.34920000e+02 2.46770000e+02 1.35210000e+02 7.29960000e+01 7.14450000e+01 4.53660000e+01 2.10570000e+01 7.31110000e+00 3.54840000e+00 2.06890000e+00 1.35270000e+00 7.14290000e-01 4.47060000e-01 2.02800000e-01] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.13580000e+04 1.77240000e+04 1.18650000e+04 2.03790000e+04 1.90700000e+04 2.28660000e+04 1.31180000e+04 6.26440000e+03 3.50140000e+03 2.16480000e+03 1.00620000e+03 5.53230000e+02 2.99460000e+02 2.93110000e+02 1.86370000e+02 8.66450000e+01 3.01500000e+01 1.46610000e+01 8.56370000e+00 5.60820000e+00 2.96910000e+00 1.86180000e+00 8.46700000e-01] JM4 = 1.38470377937 JM5 = 2.30923758304 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 8.76680000e+03 8.25650000e+03 8.14100000e+03 4.69040000e+03 2.22100000e+03 1.22490000e+03 7.45640000e+02 3.36210000e+02 1.79820000e+02 9.43950000e+01 9.22960000e+01 5.73330000e+01 2.56020000e+01 8.41610000e+00 3.93400000e+00 2.23170000e+00 1.42970000e+00 7.36060000e-01 4.54720000e-01 2.05650000e-01] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.13580000e+04 1.77240000e+04 1.18650000e+04 1.16120000e+04 1.08140000e+04 1.05810000e+04 5.60160000e+03 2.40690000e+03 1.23040000e+03 7.05070000e+02 2.89380000e+02 1.43980000e+02 7.02270000e+01 6.84890000e+01 4.03080000e+01 1.64560000e+01 4.80500000e+00 2.08340000e+00 1.12190000e+00 6.91560000e-01 3.37360000e-01 2.00740000e-01 8.53940000e-02] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 4.14440000e+03 2.82570000e+03 1.63640000e+03 1.04610000e+03 7.14050000e+02 3.80560000e+02 2.29430000e+02 1.34840000e+02 1.32330000e+02 8.87250000e+01 4.45880000e+01 1.69290000e+01 8.64370000e+00 5.21010000e+00 3.48700000e+00 1.89570000e+00 1.20640000e+00 5.55660000e-01] all other = [ 2.96770000e+06 2.33690000e+06 2.44990000e+06 1.63270000e+06 1.62800000e+06 1.49780000e+06 1.31940000e+06 1.32240000e+06 8.40380000e+05 3.43910000e+05 1.89660000e+05 1.86170000e+05 1.77490000e+05 1.67630000e+05 1.64530000e+05 1.22700000e+05 1.20410000e+05 1.04880000e+05 7.54480000e+04 7.40120000e+04 6.77330000e+04 6.49030000e+04 6.36630000e+04 3.35680000e+04 1.93000000e+04 6.94400000e+03 4.05970000e+03 3.97740000e+03 3.32560000e+03 2.30760000e+03 2.26050000e+03 2.11190000e+03 2.06870000e+03 1.16250000e+03 5.46630000e+02 3.03080000e+02 1.86700000e+02 8.66100000e+01 4.76390000e+01 2.58090000e+01 2.52640000e+01 1.60830000e+01 7.49210000e+00 2.61120000e+00 1.26980000e+00 7.41270000e-01 4.85010000e-01 2.56290000e-01 1.60450000e-01 7.27960000e-02] [Am.binding] K = 125.8091 L1 = 23.8693 M5 = 3.8917 M4 = 4.1032 M1 = 6.113 L3 = 18.5251 M3 = 4.685 M2 = 5.7434 L2 = 23.0659 [Al] energy = [ 1.00000000e+00 1.50000000e+00 1.54830000e+00 1.56070000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 5.34900000e+01 1.48980000e+01 1.34340000e+01 1.30880000e+01 5.77000000e+00 1.43480000e+00 5.18000000e-01 2.30930000e-01 1.18070000e-01 4.01800000e-02 1.71490000e-02 3.54570000e-03 1.14000000e-03 2.27660000e-04 7.23660000e-05 2.97640000e-05 1.44340000e-05 4.64010000e-06 1.94260000e-06 4.13660000e-07 1.43260000e-07 3.45810000e-08 1.34460000e-08 6.74680000e-09 3.96540000e-09 1.81970000e-09 1.04870000e-09 4.38050000e-10] M = [ 1.94140000e+03 7.59020000e+02 7.03620000e+02 6.90310000e+02 3.77610000e+02 1.34960000e+02 6.31890000e+01 3.44830000e+01 2.08380000e+01 9.25000000e+00 4.85770000e+00 1.46350000e+00 6.12010000e-01 1.74830000e-01 7.08340000e-02 3.49090000e-02 1.95110000e-02 7.75400000e-03 3.78300000e-03 1.03040000e-03 4.14180000e-04 1.19080000e-04 5.14880000e-05 2.79080000e-05 1.74410000e-05 8.83300000e-06 5.49930000e-06 2.60160000e-06] L = [ 5.10570000e+04 1.71700000e+04 1.57480000e+04 1.54090000e+04 7.79420000e+03 2.50760000e+03 1.10590000e+03 5.81340000e+02 3.41890000e+02 1.46420000e+02 7.51680000e+01 2.19370000e+01 9.02370000e+00 2.53440000e+00 1.01800000e+00 4.99030000e-01 2.77990000e-01 1.10010000e-01 5.35320000e-02 1.45310000e-02 5.83230000e-03 1.67440000e-03 7.23500000e-04 3.92000000e-04 2.44810000e-04 1.23830000e-04 7.69600000e-05 3.61510000e-05] L2 = [ 8.82780000e+03 2.39850000e+03 2.16020000e+03 2.10400000e+03 9.16090000e+02 2.25090000e+02 8.06590000e+01 3.57990000e+01 1.82440000e+01 6.18320000e+00 2.63180000e+00 5.41830000e-01 1.73780000e-01 3.46190000e-02 1.10180000e-02 4.53070000e-03 2.19680000e-03 7.06070000e-04 2.95890000e-04 6.30770000e-05 2.18790000e-05 5.30010000e-06 2.06790000e-06 1.03930000e-06 6.13200000e-07 2.81610000e-07 1.63410000e-07 6.70420000e-08] L3 = [ 1.73740000e+04 4.70830000e+03 4.23960000e+03 4.12910000e+03 1.79460000e+03 4.39450000e+02 1.57050000e+02 6.95390000e+01 3.53620000e+01 1.19350000e+01 5.06050000e+00 1.03350000e+00 3.29090000e-01 6.47000000e-02 2.02820000e-02 8.24820000e-03 3.95840000e-03 1.25060000e-03 5.15800000e-04 1.06790000e-04 3.63990000e-05 8.70160000e-06 3.42640000e-06 1.76770000e-06 1.06670000e-06 5.23230000e-07 3.16980000e-07 1.46160000e-07] M3 = [ 1.05310000e+02 2.92500000e+01 2.63700000e+01 2.56900000e+01 1.13030000e+01 2.79510000e+00 1.00610000e+00 4.47510000e-01 2.28270000e-01 7.73690000e-02 3.28970000e-02 6.74360000e-03 2.15220000e-03 4.24000000e-04 1.33210000e-04 5.42040000e-05 2.60250000e-05 8.22410000e-06 3.39470000e-06 7.03280000e-07 2.39860000e-07 5.74620000e-08 2.27040000e-08 1.17100000e-08 7.11230000e-09 3.51090000e-09 2.17000000e-09 1.04670000e-09] L1 = [ 2.48550000e+04 1.00630000e+04 9.34790000e+03 9.17570000e+03 5.08350000e+03 1.84310000e+03 8.68180000e+02 4.76000000e+02 2.88280000e+02 1.28310000e+02 6.74760000e+01 2.03620000e+01 8.52080000e+00 2.43510000e+00 9.86700000e-01 4.86250000e-01 2.71840000e-01 1.08050000e-01 5.27210000e-02 1.43610000e-02 5.77400000e-03 1.66040000e-03 7.18010000e-04 3.89200000e-04 2.43130000e-04 1.23030000e-04 7.64800000e-05 3.59380000e-05] JK = 10.7555771686 M1 = [ 1.78260000e+03 7.14870000e+02 6.63820000e+02 6.51530000e+02 3.60540000e+02 1.30730000e+02 6.16650000e+01 3.38050000e+01 2.04910000e+01 9.13250000e+00 4.80770000e+00 1.45320000e+00 6.08720000e-01 1.74170000e-01 7.06280000e-02 3.48250000e-02 1.94700000e-02 7.74110000e-03 3.77770000e-03 1.02920000e-03 4.13800000e-04 1.18990000e-04 5.14520000e-05 2.78890000e-05 1.74300000e-05 8.82770000e-06 5.49610000e-06 2.60010000e-06] all other = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0.] total = [ 5.29990000e+04 1.79290000e+04 1.64510000e+04 1.76940000e+05 1.01310000e+05 3.52380000e+04 1.60900000e+04 8.61230000e+03 5.11960000e+03 2.21840000e+03 1.14580000e+03 3.36680000e+02 1.38880000e+02 3.90800000e+01 1.57020000e+01 7.69680000e+00 4.28570000e+00 1.69500000e+00 8.24470000e-01 2.23620000e-01 8.97030000e-02 2.57350000e-02 1.11150000e-02 6.02110000e-03 3.76440000e-03 1.90450000e-03 1.18390000e-03 5.56240000e-04] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.60840000e+05 9.31390000e+04 3.25950000e+04 1.49210000e+04 7.99650000e+03 4.75690000e+03 2.06270000e+03 1.06570000e+03 3.13280000e+02 1.29240000e+02 3.63710000e+01 1.46130000e+01 7.16280000e+00 3.98820000e+00 1.57730000e+00 7.67150000e-01 2.08060000e-01 8.34570000e-02 2.39410000e-02 1.03400000e-02 5.60110000e-03 3.50220000e-03 1.77180000e-03 1.10150000e-03 5.17490000e-04] [Al.binding] K = 1.5499 L1 = 0.1191 M1 = 0.0102 L3 = 0.0807 M3 = 0.0049 M2 = 0.0049 L2 = 0.0812 [As] JL1 = 1.10871737923 JL3 = 4.14088912056 JL2 = 1.37454335009 energy = [ 1.00000000e+00 1.32690000e+00 1.33760000e+00 1.36440000e+00 1.37530000e+00 1.50000000e+00 1.51780000e+00 1.52990000e+00 2.00000000e+00 3.00000000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.18170000e+01 1.19120000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 4.36060000e+04 2.43570000e+04 2.39410000e+04 2.29300000e+04 2.25340000e+04 1.85920000e+04 1.81060000e+04 1.77840000e+04 9.49490000e+03 3.39230000e+03 1.55300000e+03 8.24990000e+02 4.84020000e+02 2.02720000e+02 1.00850000e+02 5.90760000e+01 5.75720000e+01 2.70700000e+01 1.03180000e+01 2.55450000e+00 9.29030000e-01 4.20380000e-01 2.19160000e-01 7.83980000e-02 3.53610000e-02 8.47100000e-03 3.15240000e-03 8.28350000e-04 3.38880000e-04 1.75990000e-04 1.05820000e-04 5.01280000e-05 2.94060000e-05 1.23820000e-05] M = [ 2.55570000e+05 1.29890000e+05 1.27390000e+05 1.21370000e+05 1.19040000e+05 9.62210000e+04 9.34700000e+04 9.16490000e+04 4.68990000e+04 1.65140000e+04 7.73170000e+03 4.25310000e+03 2.59570000e+03 1.17950000e+03 6.34840000e+02 3.97680000e+02 3.88860000e+02 2.02750000e+02 8.92010000e+01 2.76100000e+01 1.18810000e+01 6.13860000e+00 3.56560000e+00 1.50410000e+00 7.66480000e-01 2.25000000e-01 9.48770000e-02 2.89070000e-02 1.29150000e-02 7.13640000e-03 4.50830000e-03 2.30130000e-03 1.42990000e-03 6.62660000e-04] L = [ 0.00000000e+00 0.00000000e+00 4.24360000e+05 4.27400000e+05 6.36910000e+05 5.49980000e+05 5.33520000e+05 6.03930000e+05 3.15300000e+05 1.12690000e+05 5.26300000e+04 2.88160000e+04 1.75020000e+04 7.89050000e+03 4.22150000e+03 2.63410000e+03 2.57520000e+03 1.33630000e+03 5.84760000e+02 1.79790000e+02 7.70530000e+01 3.97040000e+01 2.30170000e+01 9.68230000e+00 4.92920000e+00 1.44320000e+00 6.07690000e-01 1.84860000e-01 8.25270000e-02 4.55900000e-02 2.87980000e-02 1.46990000e-02 9.13340000e-03 4.23290000e-03] M5 = [ 5.40180000e+04 2.15680000e+04 2.10020000e+04 1.96540000e+04 1.91360000e+04 1.42800000e+04 1.37190000e+04 1.33510000e+04 5.25080000e+03 1.19460000e+03 3.99320000e+02 1.66480000e+02 8.01380000e+01 2.45480000e+01 9.58380000e+00 4.69010000e+00 4.53180000e+00 1.66910000e+00 4.72320000e-01 7.71420000e-02 2.10920000e-02 7.69510000e-03 3.38050000e-03 9.29940000e-04 3.46180000e-04 5.98240000e-05 1.81120000e-05 3.73890000e-06 1.35170000e-06 6.46980000e-07 3.73800000e-07 1.68660000e-07 9.92660000e-08 4.10850000e-08] M4 = [ 3.69520000e+04 1.47970000e+04 1.44100000e+04 1.34880000e+04 1.31340000e+04 9.81010000e+03 9.42640000e+03 9.17440000e+03 3.61950000e+03 8.27790000e+02 2.77850000e+02 1.16250000e+02 5.61380000e+01 1.72980000e+01 6.78950000e+00 3.33690000e+00 3.22490000e+00 1.19530000e+00 3.41310000e-01 5.69790000e-02 1.57960000e-02 5.83010000e-03 2.58720000e-03 7.24350000e-04 2.72820000e-04 4.81770000e-05 1.47020000e-05 2.98930000e-06 1.03610000e-06 4.79980000e-07 2.62760000e-07 1.10290000e-07 5.85140000e-08 2.19000000e-08] L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.04730000e+05 1.87690000e+05 1.82240000e+05 1.78570000e+05 8.87790000e+04 2.94130000e+04 1.27620000e+04 6.53270000e+03 3.72870000e+03 1.50350000e+03 7.29480000e+02 4.20520000e+02 4.09520000e+02 1.88940000e+02 7.06050000e+01 1.70960000e+01 6.14360000e+00 2.75960000e+00 1.43160000e+00 5.07910000e-01 2.28080000e-01 5.42970000e-02 2.01360000e-02 5.27120000e-03 2.15090000e-03 1.11870000e-03 6.73030000e-04 3.18560000e-04 1.86760000e-04 7.89170000e-05] L3 = [ 0.00000000e+00 0.00000000e+00 4.24360000e+05 4.27400000e+05 4.32180000e+05 3.62290000e+05 3.51280000e+05 3.43980000e+05 1.69930000e+05 5.52600000e+04 2.37380000e+04 1.20540000e+04 6.83370000e+03 2.72480000e+03 1.30990000e+03 7.49580000e+02 7.29710000e+02 3.32990000e+02 1.22570000e+02 2.89540000e+01 1.01940000e+01 4.49800000e+00 2.29660000e+00 7.92770000e-01 3.47870000e-01 7.92330000e-02 2.85170000e-02 7.23570000e-03 2.93280000e-03 1.52720000e-03 9.29540000e-04 4.54840000e-04 2.76880000e-04 1.24170000e-04] M3 = [ 8.51950000e+04 4.70700000e+04 4.62520000e+04 4.42660000e+04 4.34900000e+04 3.57690000e+04 3.48200000e+04 3.41900000e+04 1.80840000e+04 6.37170000e+03 2.88780000e+03 1.52180000e+03 8.86820000e+02 3.67250000e+02 1.80980000e+02 1.05230000e+02 1.02510000e+02 4.76630000e+01 1.78900000e+01 4.31970000e+00 1.53910000e+00 6.84280000e-01 3.51230000e-01 1.21890000e-01 5.37210000e-02 1.23100000e-02 4.44400000e-03 1.13100000e-03 4.58970000e-04 2.39460000e-04 1.45920000e-04 7.14790000e-05 4.34310000e-05 1.95920000e-05] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 8.13760000e+04 5.65940000e+04 2.80210000e+04 1.61300000e+04 1.02290000e+04 6.93950000e+03 3.66210000e+03 2.18210000e+03 1.46400000e+03 1.43600000e+03 8.14320000e+02 3.91590000e+02 1.33740000e+02 6.07150000e+01 3.24470000e+01 1.92880000e+01 8.38160000e+00 4.35330000e+00 1.30970000e+00 5.59030000e-01 1.72350000e-01 7.74430000e-02 4.29440000e-02 2.71950000e-02 1.39250000e-02 8.66970000e-03 4.02980000e-03] JK = 7.1609296852 M1 = [ 3.57980000e+04 2.20940000e+04 2.17860000e+04 2.10370000e+04 2.07430000e+04 1.77710000e+04 1.73980000e+04 1.71500000e+04 1.04500000e+04 4.72750000e+03 2.61370000e+03 1.62360000e+03 1.08860000e+03 5.67720000e+02 3.36630000e+02 2.25350000e+02 2.21030000e+02 1.25150000e+02 6.01800000e+01 2.06020000e+01 9.37560000e+00 5.02040000e+00 2.98930000e+00 1.30210000e+00 6.76780000e-01 2.04110000e-01 8.72480000e-02 2.69410000e-02 1.21140000e-02 6.71980000e-03 4.25590000e-03 2.17940000e-03 1.35690000e-03 6.30630000e-04] all other = [ 7.65560000e+03 4.40320000e+03 4.33310000e+03 4.16290000e+03 4.09630000e+03 3.43380000e+03 3.35200000e+03 3.29750000e+03 1.87450000e+03 7.63530000e+02 3.92840000e+02 2.31440000e+02 1.49010000e+02 7.33310000e+01 4.18880000e+01 2.73040000e+01 2.67470000e+01 1.46630000e+01 6.81740000e+00 2.24990000e+00 1.00400000e+00 5.31080000e-01 3.13570000e-01 1.35140000e-01 6.98480000e-02 2.08850000e-02 8.88940000e-03 2.73350000e-03 1.22670000e-03 6.79690000e-04 4.30170000e-04 2.20160000e-04 1.37050000e-04 6.38030000e-05] total = [ 2.63230000e+05 1.34290000e+05 5.56080000e+05 5.52940000e+05 7.60040000e+05 6.49640000e+05 6.30350000e+05 6.98880000e+05 3.64080000e+05 1.29970000e+05 6.07540000e+04 3.33000000e+04 2.02470000e+04 9.14330000e+03 4.89820000e+03 3.05910000e+03 2.19060000e+04 1.21220000e+04 5.57800000e+03 1.80970000e+03 7.94470000e+02 4.14990000e+02 2.42580000e+02 1.03000000e+02 5.26850000e+01 1.55010000e+01 6.53800000e+00 1.99130000e+00 8.89710000e-01 4.91900000e-01 3.11000000e-01 1.59060000e-01 9.90190000e-02 4.60560000e-02] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.89150000e+04 1.05690000e+04 4.89720000e+03 1.60000000e+03 7.04530000e+02 3.68610000e+02 2.15690000e+02 9.16750000e+01 4.69190000e+01 1.38120000e+01 5.82650000e+00 1.77480000e+00 7.93040000e-01 4.38490000e-01 2.77270000e-01 1.41840000e-01 8.83190000e-02 4.10970000e-02] [As.binding] K = 11.8291 L1 = 1.5193 M5 = 0.0505 M4 = 0.0513 M1 = 0.2021 L3 = 1.3282 M3 = 0.1438 M2 = 0.149 L2 = 1.3658 [Ar] energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 3.17440000e+00 3.19980000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 3.44280000e+03 1.08990000e+03 4.57910000e+02 1.27270000e+02 1.05970000e+02 1.03260000e+02 4.94420000e+01 2.32630000e+01 1.23920000e+01 4.48590000e+00 2.00610000e+00 4.49700000e-01 1.52140000e-01 3.22190000e-02 1.05970000e-02 4.46490000e-03 2.20540000e-03 7.29060000e-04 3.11450000e-04 6.84680000e-05 2.41900000e-05 5.97650000e-06 2.35620000e-06 1.19550000e-06 7.06670000e-07 3.27130000e-07 1.89180000e-07 7.81840000e-08] M = [ 1.71700000e+04 6.25170000e+03 2.97050000e+03 1.01240000e+03 8.69650000e+02 8.51160000e+02 4.64230000e+02 2.51280000e+02 1.51200000e+02 6.70390000e+01 3.53580000e+01 1.08240000e+01 4.60100000e+00 1.34810000e+00 5.56270000e-01 2.78040000e-01 1.57180000e-01 6.35690000e-02 3.14140000e-02 8.73920000e-03 3.55960000e-03 1.03940000e-03 4.53260000e-04 2.46880000e-04 1.54660000e-04 7.84320000e-05 4.87550000e-05 2.28560000e-05] L = [ 1.93840000e+05 6.68480000e+04 3.08190000e+04 1.01440000e+04 8.67430000e+03 8.48440000e+03 4.55080000e+03 2.42460000e+03 1.44220000e+03 6.29810000e+02 3.28800000e+02 9.92350000e+01 4.18370000e+01 1.21480000e+01 4.98880000e+00 2.48600000e+00 1.40240000e+00 5.65650000e-01 2.79040000e-01 7.74790000e-02 3.15260000e-02 9.19700000e-03 4.00880000e-03 2.18310000e-03 1.36740000e-03 6.93190000e-04 4.30730000e-04 2.01600000e-04] L2 = [ 4.56350000e+04 1.37070000e+04 5.60900000e+03 1.51370000e+03 1.25540000e+03 1.22260000e+03 5.77270000e+02 2.68040000e+02 1.41530000e+02 5.06790000e+01 2.25090000e+01 4.99610000e+00 1.68120000e+00 3.53920000e-01 1.16020000e-01 4.87800000e-02 2.40600000e-02 7.93440000e-03 3.38410000e-03 7.45620000e-04 2.63350000e-04 6.50960000e-05 2.57280000e-05 1.30690000e-05 7.72460000e-06 3.59060000e-06 2.07890000e-06 8.63160000e-07] L3 = [ 8.93110000e+04 2.67120000e+04 1.08950000e+04 2.92580000e+03 2.42490000e+03 2.36130000e+03 1.11140000e+03 5.14280000e+02 2.70720000e+02 9.64170000e+01 4.26200000e+01 9.36240000e+00 3.12180000e+00 6.46910000e-01 2.09180000e-01 8.68680000e-02 4.23690000e-02 1.37040000e-02 5.75070000e-03 1.22150000e-03 4.22540000e-04 1.02710000e-04 4.07180000e-05 2.09880000e-05 1.27410000e-05 6.22350000e-06 3.78590000e-06 1.72110000e-06] M3 = [ 6.73080000e+03 2.12230000e+03 8.88740000e+02 2.45730000e+02 2.04460000e+02 1.99200000e+02 9.50830000e+01 4.45740000e+01 2.36730000e+01 8.50360000e+00 3.78430000e+00 8.39500000e-01 2.81430000e-01 5.86680000e-02 1.90290000e-02 7.91690000e-03 3.86700000e-03 1.25270000e-03 5.26290000e-04 1.12030000e-04 3.87820000e-05 9.43170000e-06 3.74660000e-06 1.93520000e-06 1.17470000e-06 5.75370000e-07 3.51370000e-07 1.61660000e-07] L1 = [ 5.88910000e+04 2.64290000e+04 1.43150000e+04 5.70500000e+03 4.99390000e+03 4.90050000e+03 2.86210000e+03 1.64230000e+03 1.03000000e+03 4.82710000e+02 2.63670000e+02 8.48760000e+01 3.70340000e+01 1.11470000e+01 4.66360000e+00 2.35040000e+00 1.33600000e+00 5.44010000e-01 2.69910000e-01 7.55120000e-02 3.08400000e-02 9.02920000e-03 3.94240000e-03 2.14900000e-03 1.34690000e-03 6.83380000e-04 4.24870000e-04 1.99020000e-04] JK = 8.86660589486 M1 = [ 6.99600000e+03 3.03950000e+03 1.62380000e+03 6.39410000e+02 5.59220000e+02 5.48700000e+02 3.19700000e+02 1.83440000e+02 1.15130000e+02 5.40500000e+01 2.95680000e+01 9.53450000e+00 4.16750000e+00 1.25720000e+00 5.26650000e-01 2.65660000e-01 1.51110000e-01 6.15870000e-02 3.05770000e-02 8.55870000e-03 3.49660000e-03 1.02400000e-03 4.47150000e-04 2.43750000e-04 1.52780000e-04 7.75300000e-05 4.82140000e-05 2.26160000e-05] all other = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0.] total = [ 2.11010000e+05 7.31000000e+04 3.37900000e+04 1.11570000e+04 9.54390000e+03 8.46220000e+04 5.01110000e+04 2.79310000e+04 1.71190000e+04 7.76020000e+03 4.13430000e+03 1.27810000e+03 5.44390000e+02 1.59470000e+02 6.57260000e+01 3.28120000e+01 1.85280000e+01 7.47940000e+00 3.69070000e+00 1.02430000e+00 4.16600000e-01 1.21470000e-01 5.29320000e-02 2.88240000e-02 1.80550000e-02 9.15740000e-03 5.69590000e-03 2.66860000e-03] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 7.52870000e+04 4.50960000e+04 2.52550000e+04 1.55260000e+04 7.06330000e+03 3.77010000e+03 1.16810000e+03 4.97950000e+02 1.45970000e+02 6.01810000e+01 3.00480000e+01 1.69680000e+01 6.85020000e+00 3.38030000e+00 9.38050000e-01 3.81520000e-01 1.11230000e-01 4.84700000e-02 2.63940000e-02 1.65330000e-02 8.38580000e-03 5.21650000e-03 2.44410000e-03] [Ar.binding] K = 3.1776 L1 = 0.3134 M1 = 0.0289 L3 = 0.2471 M3 = 0.0144 M2 = 0.0146 L2 = 0.2494 [Au] JL1 = 1.13195464426 JL3 = 2.49574395642 JL2 = 1.36300441245 energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 2.20960000e+00 2.22730000e+00 2.29840000e+00 2.31680000e+00 2.73120000e+00 2.75310000e+00 3.00000000e+00 3.14190000e+00 3.16700000e+00 3.40010000e+00 3.42740000e+00 4.00000000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.19090000e+01 1.20050000e+01 1.37630000e+01 1.38730000e+01 1.43290000e+01 1.44440000e+01 1.50000000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 8.09230000e+01 8.15710000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 4.77655354782 M5 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 7.75510000e+04 4.75360000e+05 4.74550000e+05 3.15740000e+05 3.08940000e+05 2.43920000e+05 2.14570000e+05 2.09860000e+05 1.73410000e+05 1.69700000e+05 1.09350000e+05 5.63790000e+04 3.21100000e+04 1.27340000e+04 6.04810000e+03 3.32200000e+03 3.23130000e+03 2.00230000e+03 1.94660000e+03 1.73600000e+03 1.68760000e+03 1.47540000e+03 5.20120000e+02 1.13790000e+02 3.75650000e+01 1.56930000e+01 7.64390000e+00 2.44420000e+00 2.33550000e+00 2.26270000e+00 1.00950000e+00 2.06310000e-01 6.88150000e-02 1.58180000e-02 5.97230000e-03 2.94760000e-03 1.71480000e-03 7.75130000e-04 4.47840000e-04 1.81210000e-04] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.39950000e+04 2.25170000e+05 2.20460000e+05 1.74970000e+05 1.54290000e+05 1.50960000e+05 1.24190000e+05 1.22160000e+05 7.98410000e+04 4.16670000e+04 2.39600000e+04 9.67390000e+03 4.65950000e+03 2.58930000e+03 2.51990000e+03 1.57650000e+03 1.53360000e+03 1.37070000e+03 1.33310000e+03 1.16860000e+03 4.21140000e+02 9.53660000e+01 3.23470000e+01 1.38210000e+01 6.86310000e+00 2.26460000e+00 2.16660000e+00 2.10090000e+00 9.58540000e-01 2.04180000e-01 6.96820000e-02 1.62550000e-02 6.09040000e-03 2.95180000e-03 1.67880000e-03 7.37250000e-04 4.04930000e-04 1.57980000e-04] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.20060000e+04 1.83970000e+04 1.31130000e+04 9.97830000e+03 6.16300000e+03 4.14360000e+03 2.99690000e+03 2.95250000e+03 2.27440000e+03 2.23960000e+03 2.10400000e+03 2.07170000e+03 1.92510000e+03 1.08280000e+03 4.62100000e+02 2.45520000e+02 1.47990000e+02 9.68880000e+01 4.88140000e+01 4.74780000e+01 4.65700000e+01 2.83090000e+01 1.02820000e+01 4.96210000e+00 1.78510000e+00 8.79720000e-01 5.17330000e-01 3.40270000e-01 1.81220000e-01 1.14230000e-01 5.24470000e-02] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.10090000e+05 9.98740000e+04 9.32630000e+04 9.20740000e+04 8.14550000e+04 8.02990000e+04 6.07470000e+04 4.03870000e+04 2.80310000e+04 1.50740000e+04 9.02470000e+03 5.93050000e+03 5.81570000e+03 4.14020000e+03 4.05800000e+03 3.73960000e+03 3.66460000e+03 3.32740000e+03 1.56370000e+03 5.07960000e+02 2.20250000e+02 1.13030000e+02 6.48410000e+01 2.65540000e+01 2.56160000e+01 2.49840000e+01 1.31560000e+01 3.63940000e+00 1.47010000e+00 4.23810000e-01 1.82690000e-01 9.82380000e-02 6.06360000e-02 2.96960000e-02 1.77900000e-02 7.69460000e-03] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.60820000e+04 3.35900000e+04 3.33370000e+04 2.71080000e+04 1.94490000e+04 1.43130000e+04 8.34620000e+03 5.28320000e+03 3.61720000e+03 3.55340000e+03 2.60980000e+03 2.56240000e+03 2.37770000e+03 2.33400000e+03 2.13680000e+03 1.06870000e+03 3.78590000e+02 1.74720000e+02 9.42100000e+01 5.63240000e+01 2.46620000e+01 2.38560000e+01 2.33120000e+01 1.28880000e+01 3.93430000e+00 1.70290000e+00 5.37090000e-01 2.44420000e-01 1.36090000e-01 8.59880000e-02 4.34250000e-02 2.65440000e-02 1.17830000e-02] total = [ 1.51760000e+06 6.79270000e+05 3.68120000e+05 2.95730000e+05 3.68100000e+05 7.46350000e+05 7.94770000e+05 7.24700000e+05 8.19980000e+05 6.67020000e+05 5.95380000e+05 6.19800000e+05 5.23530000e+05 5.36340000e+05 3.71070000e+05 2.15240000e+05 1.36730000e+05 6.58440000e+04 3.70390000e+04 2.34960000e+04 5.86400000e+04 4.05670000e+04 5.52930000e+04 5.10630000e+04 5.78010000e+04 5.24920000e+04 2.50250000e+04 8.54100000e+03 3.92850000e+03 2.13760000e+03 1.29590000e+03 5.85560000e+02 5.67250000e+02 2.70950000e+03 1.58800000e+03 5.44120000e+02 2.52170000e+02 8.65520000e+01 4.16410000e+01 2.41730000e+01 1.57870000e+01 8.35690000e+00 5.26070000e+00 2.41980000e+00] JM2 = 1.04101582183 JM3 = 1.13147509314 K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.15470000e+03 1.27250000e+03 4.41600000e+02 2.05690000e+02 7.09250000e+01 3.42150000e+01 1.99050000e+01 1.30220000e+01 6.91200000e+00 4.35950000e+00 2.01060000e+00] JM1 = 1.02446851183 M = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 7.75510000e+04 4.75360000e+05 5.28550000e+05 5.40910000e+05 6.39490000e+05 5.18770000e+05 4.62120000e+05 4.88980000e+05 4.12640000e+05 4.27500000e+05 2.95450000e+05 1.71000000e+05 1.08390000e+05 5.19910000e+04 2.91590000e+04 1.84560000e+04 1.80730000e+04 1.26030000e+04 1.23400000e+04 1.13280000e+04 1.10910000e+04 1.00330000e+04 4.65640000e+03 1.55780000e+03 7.10400000e+02 3.84740000e+02 2.32560000e+02 1.04740000e+02 1.01450000e+02 9.92290000e+01 5.63200000e+01 1.82660000e+01 8.27360000e+00 2.77810000e+00 1.31890000e+00 7.57560000e-01 4.90290000e-01 2.55860000e-01 1.59410000e-01 7.22630000e-02] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.56290000e+04 2.44930000e+04 3.95530000e+04 3.66090000e+04 4.36480000e+04 3.96830000e+04 1.90620000e+04 6.53840000e+03 3.01310000e+03 1.64100000e+03 9.95310000e+02 4.49980000e+02 4.35910000e+02 4.26390000e+02 2.42430000e+02 7.88110000e+01 3.57340000e+01 1.20130000e+01 5.70900000e+00 3.28250000e+00 2.12650000e+00 1.11170000e+00 6.93530000e-01 3.15010000e-01] JM4 = 1.06487572855 JM5 = 1.24471646434 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.55670000e+04 1.45740000e+04 1.42370000e+04 1.27770000e+04 6.12270000e+03 1.99230000e+03 8.76280000e+02 4.56920000e+02 2.66520000e+02 1.12820000e+02 1.09000000e+02 1.06420000e+02 5.76650000e+01 1.70450000e+01 7.25010000e+00 2.24550000e+00 1.01270000e+00 5.60880000e-01 3.53240000e-01 1.77760000e-01 1.08280000e-01 4.79880000e-02] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.56290000e+04 2.44930000e+04 2.39870000e+04 2.20350000e+04 2.15750000e+04 1.94960000e+04 8.51730000e+03 2.55310000e+03 1.05250000e+03 5.22350000e+02 2.92480000e+02 1.15900000e+02 1.11680000e+02 1.08830000e+02 5.62090000e+01 1.50780000e+01 5.99150000e+00 1.69870000e+00 7.26390000e-01 3.88880000e-01 2.39390000e-01 1.17100000e-01 7.01310000e-02 3.02820000e-02] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 7.83610000e+03 7.40980000e+03 4.42190000e+03 1.99300000e+03 1.08430000e+03 6.61780000e+02 4.36310000e+02 2.21260000e+02 2.15230000e+02 2.11130000e+02 1.28560000e+02 4.66880000e+01 2.24930000e+01 8.06860000e+00 3.96990000e+00 2.33280000e+00 1.53390000e+00 8.16860000e-01 5.15120000e-01 2.36740000e-01] all other = [ 1.51760000e+06 6.79270000e+05 3.68120000e+05 2.95730000e+05 2.90550000e+05 2.70990000e+05 2.66220000e+05 1.83800000e+05 1.80490000e+05 1.48260000e+05 1.33260000e+05 1.30820000e+05 1.10890000e+05 1.08840000e+05 7.56210000e+04 4.42450000e+04 2.83370000e+04 1.38530000e+04 7.87940000e+03 5.03980000e+03 4.93760000e+03 3.47050000e+03 3.39960000e+03 3.12630000e+03 3.06230000e+03 2.77610000e+03 1.30710000e+03 4.44830000e+02 2.05040000e+02 1.11850000e+02 6.79860000e+01 3.08460000e+01 2.98870000e+01 2.92370000e+01 1.66690000e+01 5.44640000e+00 2.47750000e+00 8.35580000e-01 3.97630000e-01 2.28710000e-01 1.48150000e-01 7.74040000e-02 4.82490000e-02 2.18830000e-02] [Au.binding] K = 81.004 L1 = 14.3435 M5 = 2.2118 M4 = 2.3007 M1 = 3.4035 L3 = 11.9214 M3 = 2.7339 M2 = 3.145 L2 = 13.7769 [At] JL1 = 1.1329772699 JL3 = 2.41291759465 JL2 = 1.37290662268 energy = [ 1.00000000e+00 1.02160000e+00 1.02970000e+00 1.50000000e+00 2.00000000e+00 2.78290000e+00 2.80520000e+00 2.90840000e+00 2.93160000e+00 3.00000000e+00 3.39490000e+00 3.42210000e+00 3.98860000e+00 4.00000000e+00 4.02060000e+00 4.28490000e+00 4.31930000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.42000000e+01 1.43140000e+01 1.50000000e+01 1.68240000e+01 1.69590000e+01 1.74690000e+01 1.76090000e+01 2.00000000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 9.60550000e+01 9.68240000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] JK = 4.49463499726 M5 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.27720000e+05 3.59240000e+05 3.51750000e+05 3.32610000e+05 2.40760000e+05 2.35500000e+05 1.52550000e+05 1.51310000e+05 1.49100000e+05 1.24940000e+05 1.22220000e+05 7.97800000e+04 4.62640000e+04 1.87630000e+04 9.06610000e+03 2.75950000e+03 2.68400000e+03 2.27970000e+03 1.52260000e+03 1.48010000e+03 1.33210000e+03 1.29480000e+03 8.20450000e+02 1.84550000e+02 6.21000000e+01 2.63160000e+01 1.29620000e+01 4.21340000e+00 2.06040000e+00 1.99720000e+00 1.76070000e+00 3.66610000e-01 1.23630000e-01 2.86210000e-02 1.09030000e-02 5.39160000e-03 3.13790000e-03 1.42010000e-03 8.17270000e-04 3.30830000e-04] M4 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 3.36440000e+05 2.38250000e+05 1.73940000e+05 1.70320000e+05 1.11740000e+05 1.10850000e+05 1.09260000e+05 9.12710000e+04 8.93620000e+04 5.93100000e+04 3.47640000e+04 1.43850000e+04 7.05980000e+03 2.20630000e+03 2.14740000e+03 1.83050000e+03 1.23420000e+03 1.20060000e+03 1.08310000e+03 1.05350000e+03 6.74880000e+02 1.57590000e+02 5.46010000e+01 2.37050000e+01 1.19190000e+01 4.00640000e+00 2.00170000e+00 1.94210000e+00 1.71850000e+00 3.74090000e-01 1.29380000e-01 3.05090000e-02 1.15900000e-02 5.65330000e-03 3.23050000e-03 1.41060000e-03 7.88050000e-04 3.05240000e-04] M1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.70470000e+04 1.39840000e+04 1.06230000e+04 6.82880000e+03 4.69170000e+03 2.48870000e+03 2.45200000e+03 2.24620000e+03 1.80350000e+03 1.77590000e+03 1.67680000e+03 1.65110000e+03 1.28620000e+03 5.61320000e+02 3.02830000e+02 1.84680000e+02 1.22070000e+02 6.24330000e+01 4.03590000e+01 3.95920000e+01 3.66290000e+01 1.35860000e+01 6.65340000e+00 2.44160000e+00 1.21880000e+00 7.23030000e-01 4.78430000e-01 2.56530000e-01 1.62220000e-01 7.44890000e-02] M3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 8.80200000e+04 7.19380000e+04 7.15960000e+04 7.09800000e+04 6.33270000e+04 6.23950000e+04 4.73830000e+04 3.37760000e+04 1.86420000e+04 1.13800000e+04 4.96280000e+03 4.86670000e+03 4.33480000e+03 3.24950000e+03 3.18450000e+03 2.95320000e+03 2.89360000e+03 2.08130000e+03 6.95970000e+02 3.07730000e+02 1.60250000e+02 9.29950000e+01 3.87480000e+01 2.20270000e+01 2.14890000e+01 1.94400000e+01 5.48990000e+00 2.24580000e+00 6.56170000e-01 2.84910000e-01 1.53680000e-01 9.49560000e-02 4.65090000e-02 2.77870000e-02 1.19380000e-02] M2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.67930000e+04 2.65040000e+04 2.52970000e+04 2.51160000e+04 2.09710000e+04 1.59490000e+04 9.84750000e+03 6.45980000e+03 3.11870000e+03 3.06460000e+03 2.76330000e+03 2.13690000e+03 2.09860000e+03 1.96090000e+03 1.92530000e+03 1.43150000e+03 5.30400000e+02 2.52150000e+02 1.38990000e+02 8.45390000e+01 3.79870000e+01 2.26750000e+01 2.21680000e+01 2.02290000e+01 6.37330000e+00 2.81430000e+00 9.09170000e-01 4.19970000e-01 2.36090000e-01 1.50200000e-01 7.64570000e-02 4.70070000e-02 2.10370000e-02] total = [ 2.04150000e+06 1.96300000e+06 1.97550000e+06 9.47780000e+05 5.16930000e+05 2.48850000e+05 7.72120000e+05 5.84410000e+05 9.09300000e+05 7.80650000e+05 5.72580000e+05 6.48830000e+05 4.44590000e+05 4.68180000e+05 4.62190000e+05 3.96310000e+05 4.05900000e+05 2.84700000e+05 1.82050000e+05 8.84590000e+04 5.00760000e+04 2.02050000e+04 4.87530000e+04 4.33260000e+04 3.15280000e+04 4.32850000e+04 4.02550000e+04 4.56080000e+04 3.29340000e+04 1.14570000e+04 5.33340000e+03 2.92540000e+03 1.78430000e+03 8.13810000e+02 4.93010000e+02 2.21590000e+03 2.03710000e+03 7.10590000e+02 3.34040000e+02 1.16600000e+02 5.67300000e+01 3.31890000e+01 2.17920000e+01 1.16060000e+01 7.32520000e+00 3.36940000e+00] JM2 = 1.05306012281 JM3 = 1.13316916413 K = [ 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 1733.5 1595.6 565.29 267.57 93.98 45.891 26.923 17.718 9.4686 5.9899 2.7634] JM1 = 1.02419822866 M = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 5.27720000e+05 3.59240000e+05 6.88180000e+05 5.70860000e+05 4.14710000e+05 4.93840000e+05 3.36230000e+05 3.60550000e+05 3.55850000e+05 3.04830000e+05 3.16140000e+05 2.21430000e+05 1.41380000e+05 6.84660000e+04 3.86580000e+04 1.55360000e+04 1.52150000e+04 1.34550000e+04 9.94660000e+03 9.73960000e+03 9.00610000e+03 8.81830000e+03 6.29440000e+03 2.12980000e+03 9.79410000e+02 5.33930000e+02 3.24490000e+02 1.47390000e+02 8.91230000e+01 8.71880000e+01 7.97770000e+01 2.61900000e+01 1.19660000e+01 4.06600000e+00 1.94620000e+00 1.12390000e+00 7.29950000e-01 3.82330000e-01 2.38610000e-01 1.08100000e-01] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.89640000e+04 2.58160000e+04 1.85680000e+04 3.05940000e+04 2.85160000e+04 3.41130000e+04 2.47180000e+04 8.66660000e+03 4.04750000e+03 2.22330000e+03 1.35720000e+03 6.19460000e+02 3.75380000e+02 3.67260000e+02 3.36140000e+02 1.10660000e+02 5.06310000e+01 1.72310000e+01 8.25860000e+00 4.77530000e+00 3.10540000e+00 1.62980000e+00 1.01860000e+00 4.62490000e-01] JM4 = 1.55592820109 JM5 = 3.10275266225 L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.24150000e+04 1.17180000e+04 1.14800000e+04 8.23760000e+03 2.82960000e+03 1.27940000e+03 6.79960000e+02 4.02580000e+02 1.74270000e+02 1.01920000e+02 9.95620000e+01 9.05560000e+01 2.75150000e+01 1.19120000e+01 3.76920000e+00 1.72320000e+00 9.62900000e-01 6.10290000e-01 3.09350000e-01 1.89620000e-01 8.46400000e-02] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.89640000e+04 2.58160000e+04 1.85680000e+04 1.81790000e+04 1.67990000e+04 1.64430000e+04 1.15590000e+04 3.51290000e+03 1.47250000e+03 7.39280000e+02 4.17670000e+02 1.67780000e+02 9.35080000e+01 9.11500000e+01 8.21940000e+01 2.24210000e+01 9.00320000e+00 2.58110000e+00 1.11060000e+00 5.96070000e-01 3.67200000e-01 1.79270000e-01 1.07210000e-01 4.60030000e-02] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 6.18920000e+03 4.92160000e+03 2.32400000e+03 1.29560000e+03 8.04100000e+02 5.36910000e+02 2.77410000e+02 1.79950000e+02 1.76550000e+02 1.63390000e+02 6.07290000e+01 2.97160000e+01 1.08810000e+01 5.42470000e+00 3.21630000e+00 2.12790000e+00 1.14120000e+00 7.21820000e-01 3.31850000e-01] all other = [ 2.04150000e+06 1.96300000e+06 1.97550000e+06 9.47780000e+05 5.16930000e+05 2.48850000e+05 2.44400000e+05 2.25170000e+05 2.21110000e+05 2.09790000e+05 1.57880000e+05 1.54990000e+05 1.08360000e+05 1.07630000e+05 1.06340000e+05 9.14770000e+04 8.97620000e+04 6.32700000e+04 4.06690000e+04 1.99930000e+04 1.14180000e+04 4.66940000e+03 4.57450000e+03 4.05460000e+03 3.01340000e+03 2.95170000e+03 2.73300000e+03 2.67700000e+03 1.92140000e+03 6.60230000e+02 3.06430000e+02 1.68130000e+02 1.02660000e+02 4.69620000e+01 2.85120000e+01 2.78970000e+01 2.55420000e+01 8.44450000e+00 3.87400000e+00 1.32190000e+00 6.34240000e-01 3.66760000e-01 2.38420000e-01 1.24990000e-01 7.80430000e-02 3.53640000e-02] [At.binding] K = 96.1506 L1 = 17.487 M5 = 2.7857 M4 = 2.9113 M1 = 4.2892 L3 = 14.2142 M3 = 3.3983 M2 = 3.9926 L2 = 16.8411 [In] JL1 = 1.12595475553 JL3 = 3.10386875069 JL2 = 1.33643164815 energy = [ 1.00000000e+00 1.50000000e+00 2.00000000e+00 3.00000000e+00 3.72460000e+00 3.75440000e+00 3.93880000e+00 3.97030000e+00 4.00000000e+00 4.20990000e+00 4.24360000e+00 5.00000000e+00 6.00000000e+00 8.00000000e+00 1.00000000e+01 1.50000000e+01 2.00000000e+01 2.78940000e+01 2.81180000e+01 3.00000000e+01 4.00000000e+01 5.00000000e+01 6.00000000e+01 8.00000000e+01 1.00000000e+02 1.50000000e+02 2.00000000e+02 3.00000000e+02 4.00000000e+02 5.00000000e+02 6.00000000e+02 8.00000000e+02 1.00000000e+03 1.50000000e+03] M2 = [ 1.04170000e+05 5.91860000e+04 3.58060000e+04 1.58690000e+04 9.84570000e+03 9.66900000e+03 8.66360000e+03 8.50550000e+03 8.36000000e+03 7.42080000e+03 7.28330000e+03 4.92000000e+03 3.12850000e+03 1.48020000e+03 8.06200000e+02 2.52860000e+02 1.06860000e+02 3.81120000e+01 3.71670000e+01 3.02820000e+01 1.20380000e+01 5.81440000e+00 3.18930000e+00 1.22770000e+00 5.84250000e-01 1.52700000e-01 5.99490000e-02 1.68170000e-02 7.13910000e-03 3.79780000e-03 2.32490000e-03 1.12400000e-03 6.69390000e-04 2.86780000e-04] M = [ 1.31250000e+06 5.21110000e+05 2.60400000e+05 9.44130000e+04 5.41840000e+04 5.30780000e+04 4.68740000e+04 4.59130000e+04 4.50320000e+04 3.94180000e+04 3.86080000e+04 2.51160000e+04 1.54990000e+04 7.16590000e+03 3.90820000e+03 1.27870000e+03 5.72730000e+02 2.23980000e+02 2.18970000e+02 1.82140000e+02 8.00810000e+01 4.21390000e+01 2.48700000e+01 1.07750000e+01 5.61600000e+00 1.71690000e+00 7.44880000e-01 2.35580000e-01 1.07590000e-01 6.02820000e-02 3.84030000e-02 1.97390000e-02 1.22650000e-02 5.62730000e-03] L = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.34130000e+05 1.21760000e+05 1.82230000e+05 1.81070000e+05 1.59510000e+05 1.86340000e+05 1.24770000e+05 7.76970000e+04 3.64960000e+04 2.00540000e+04 6.60890000e+03 2.96510000e+03 1.16050000e+03 1.13450000e+03 9.43850000e+02 4.15010000e+02 2.18370000e+02 1.28850000e+02 5.57940000e+01 2.90670000e+01 8.87690000e+00 3.84830000e+00 1.21600000e+00 5.55360000e-01 3.11130000e-01 1.98220000e-01 1.01920000e-01 6.33440000e-02 2.90850000e-02] M5 = [ 5.39110000e+05 1.77010000e+05 7.51560000e+04 2.06750000e+04 1.00060000e+04 9.73770000e+03 8.26280000e+03 8.03910000e+03 7.83530000e+03 6.56470000e+03 6.38540000e+03 3.58790000e+03 1.86160000e+03 6.40030000e+02 2.72370000e+02 5.47780000e+01 1.69440000e+01 4.22740000e+00 4.08760000e+00 3.10850000e+00 9.13720000e-01 3.51220000e-01 1.60640000e-01 4.68710000e-02 1.81630000e-02 3.35270000e-03 1.05010000e-03 2.26600000e-04 8.33410000e-05 4.04610000e-05 2.32600000e-05 1.07380000e-05 6.16640000e-06 2.65750000e-06] M4 = [ 3.69720000e+05 1.22570000e+05 5.23740000e+04 1.45420000e+04 7.07500000e+03 6.88650000e+03 5.85060000e+03 5.69330000e+03 5.55000000e+03 4.65610000e+03 4.52990000e+03 2.55640000e+03 1.33330000e+03 4.62480000e+02 1.98330000e+02 4.05260000e+01 1.27020000e+01 3.22540000e+00 3.12010000e+00 2.38180000e+00 7.12820000e-01 2.78200000e-01 1.28910000e-01 3.84280000e-02 1.51390000e-02 2.86800000e-03 9.14870000e-04 1.96230000e-04 7.00710000e-05 3.29860000e-05 1.85560000e-05 7.77020000e-06 4.23690000e-06 1.61760000e-06] L2 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 6.28830000e+04 6.38870000e+04 5.60090000e+04 5.49730000e+04 3.63140000e+04 2.19790000e+04 9.79090000e+03 5.10430000e+03 1.49600000e+03 6.07560000e+02 2.08620000e+02 2.03280000e+02 1.64580000e+02 6.38070000e+01 3.03250000e+01 1.64450000e+01 6.23580000e+00 2.93910000e+00 7.57960000e-01 2.95560000e-01 8.22160000e-02 3.47650000e-02 1.84450000e-02 1.12730000e-02 5.44260000e-03 3.23390000e-03 1.38860000e-03] L3 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.34130000e+05 1.21760000e+05 1.19350000e+05 1.17190000e+05 1.03500000e+05 1.01460000e+05 6.50690000e+04 3.89280000e+04 1.68940000e+04 8.65560000e+03 2.45470000e+03 9.72240000e+02 3.23620000e+02 3.15090000e+02 2.53450000e+02 9.53430000e+01 4.41800000e+01 2.34360000e+01 8.56100000e+00 3.91220000e+00 9.51280000e-01 3.56050000e-01 9.43280000e-02 3.90250000e-02 2.05670000e-02 1.25890000e-02 6.16790000e-03 3.72140000e-03 1.65640000e-03] M3 = [ 2.25120000e+05 1.19880000e+05 7.01800000e+04 2.99650000e+04 1.82590000e+04 1.79190000e+04 1.59930000e+04 1.56910000e+04 1.54140000e+04 1.36300000e+04 1.33690000e+04 8.91610000e+03 5.59040000e+03 2.58720000e+03 1.38470000e+03 4.20120000e+02 1.73110000e+02 5.98190000e+01 5.82880000e+01 4.71820000e+01 1.81910000e+01 8.56310000e+00 4.59310000e+00 1.70270000e+00 7.85440000e-01 1.93530000e-01 7.29440000e-02 1.94320000e-02 8.06520000e-03 4.25630000e-03 2.60650000e-03 1.27910000e-03 7.73720000e-04 3.44520000e-04] L1 = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.99080000e+04 2.33830000e+04 1.67900000e+04 9.81160000e+03 6.29460000e+03 2.65810000e+03 1.38530000e+03 6.28210000e+02 6.16140000e+02 5.25820000e+02 2.55860000e+02 1.43860000e+02 8.89670000e+01 4.09980000e+01 2.22160000e+01 7.16760000e+00 3.19670000e+00 1.03940000e+00 4.81570000e-01 2.72120000e-01 1.74360000e-01 9.03050000e-02 5.63890000e-02 2.60400000e-02] JK = 6.10070683743 M1 = [ 7.43440000e+04 4.24530000e+04 2.68840000e+04 1.33620000e+04 8.99820000e+03 8.86560000e+03 8.10450000e+03 7.98370000e+03 7.87240000e+03 7.14700000e+03 7.03980000e+03 5.13600000e+03 3.58580000e+03 1.99590000e+03 1.24660000e+03 5.10450000e+02 2.63110000e+02 1.18600000e+02 1.16300000e+02 9.91910000e+01 4.82250000e+01 2.71320000e+01 1.67980000e+01 7.75880000e+00 4.21300000e+00 1.36450000e+00 6.10020000e-01 1.98910000e-01 9.22340000e-02 5.21540000e-02 3.34300000e-02 1.73170000e-02 1.08120000e-02 4.99180000e-03] all other = [ 1.74980000e+05 7.44110000e+04 3.91000000e+04 1.51420000e+04 8.96310000e+03 8.78950000e+03 7.81230000e+03 7.66010000e+03 7.52050000e+03 6.62630000e+03 6.49640000e+03 4.31220000e+03 2.71570000e+03 1.29320000e+03 7.20390000e+02 2.43720000e+02 1.11410000e+02 4.44790000e+01 4.35040000e+01 3.63200000e+01 1.62090000e+01 8.61340000e+00 5.12170000e+00 2.24030000e+00 1.17520000e+00 3.62650000e-01 1.58120000e-01 5.02630000e-02 2.30250000e-02 1.29210000e-02 8.23970000e-03 4.24060000e-03 2.63700000e-03 1.21160000e-03] total = [ 1.48740000e+06 5.95520000e+05 2.99500000e+05 1.09560000e+05 6.31470000e+04 1.96000000e+05 1.76440000e+05 2.35800000e+05 2.33630000e+05 2.05550000e+05 2.31440000e+05 1.54190000e+05 9.59120000e+04 4.49550000e+04 2.46830000e+04 8.13130000e+03 3.64930000e+03 1.42890000e+03 8.71730000e+03 7.37920000e+03 3.46480000e+03 1.88290000e+03 1.13580000e+03 5.05040000e+02 2.66820000e+02 8.27810000e+01 3.61120000e+01 1.14700000e+01 5.25480000e+00 2.95190000e+00 1.88550000e+00 9.74090000e-01 6.07920000e-01 2.81100000e-01] K = [ 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 7.32040000e+03 6.21690000e+03 2.95350000e+03 1.61380000e+03 9.77000000e+02 4.36230000e+02 2.30960000e+02 7.18250000e+01 3.13610000e+01 9.96850000e+00 4.56880000e+00 2.56750000e+00 1.64060000e+00 8.48200000e-01 5.29680000e-01 2.45170000e-01] [In.binding] K = 27.9221 L1 = 4.2141 M5 = 0.4529 M4 = 0.461 M1 = 0.8114 L3 = 3.7283 M3 = 0.6606 M2 = 0.6998 L2 = 3.9427 PyMca5-5.2.2/PyMca5/PyMcaData/LShellRatesCampbell.dat0000644000276300001750000006774013136054446022164 0ustar solebliss00000000000000 #S 1 L1 Subshell X-ray emission rates. #U0 File: AP0L1R.DAT received by courtesy of J.L. Campbell #U1 #U2 X-ray emission rates for determining relative x-ray line intensities. #U3 #U4 Reference: J.L.Campbell and J.X.Wang. Interpolated Dirac-Fock values of L #U5 subshell X-ray emission rates including overlap and exchange effects. At.Data #U6 Nucl.Data Tables 43 (1989) 281-291. #U7 #N 10 #L Z L1L3 L1M2 L1M3 L1N2 L1N3 L1O23 L1P23 L1M45 L1N45 1 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 7 0 0 0 0 0 0 0 0 0 8 0 0 0 0 0 0 0 0 0 9 0 0 0 0 0 0 0 0 0 10 0 0 0 0 0 0 0 0 0 11 0 0 0 0 0 0 0 0 0 12 0 0 0 0 0 0 0 0 0 13 0 0 0 0 0 0 0 0 0 14 0 0 0 0 0 0 0 0 0 15 0 0 0 0 0 0 0 0 0 16 0 0 0 0 0 0 0 0 0 17 0 0 0 0 0 0 0 0 0 18 8.559E-2 3.125E-1 6.019E-1 0 0 0 0 0 0 19 6.223E-2 3.205E-1 6.173E-1 0 0 0 0 0 0 20 4.786E-2 3.260E-1 6.261E-1 0 0 0 0 0 0 21 3.998E-2 3.295E-1 6.304E-1 0 0 0 0 8.738E-5 0 22 3.401E-2 3.329E-1 6.329E-1 0 0 0 0 2.113E-4 0 23 2.955E-2 3.350E-1 6.351E-1 0 0 0 0 3.738E-4 0 24 2.667E-2 3.365E-1 6.362E-1 0 0 0 0 6.452E-4 0 25 2.331E-2 3.390E-1 6.368E-1 0 0 0 0 8.210E-4 0 26 2.102E-2 3.403E-1 6.375E-1 0 0 0 0 1.108E-3 0 27 1.914E-2 3.419E-1 6.375E-1 0 0 0 0 1.441E-3 0 28 1.757E-2 3.437E-1 6.369E-1 0 0 0 0 1.820E-3 0 29 1.669E-2 3.452E-1 6.358E-1 0 0 0 0 2.337E-3 0 30 1.552E-2 3.465E-1 6.352E-1 0 0 0 0 2.714E-3 0 31 1.448E-2 3.479E-1 6.345E-1 0 0 0 0 3.092E-3 0 32 1.326E-2 3.411E-1 6.187E-1 8.346E-3 1.523E-2 0 0 3.372E-3 0 33 1.227E-2 3.362E-1 6.068E-1 1.454E-2 2.652E-2 0 0 3.683E-3 0 34 1.139E-2 3.298E-1 5.950E-1 2.121E-2 3.852E-2 0 0 3.982E-3 0 35 1.064E-2 3.246E-1 5.817E-1 2.807E-2 5.076E-2 0 0 4.265E-3 0 36 9.979E-3 3.189E-1 5.685E-1 3.509E-2 6.301E-2 0 0 4.528E-3 0 37 9.460E-3 3.151E-1 5.588E-1 3.995E-2 7.188E-2 0 0 4.824E-3 0 38 9.045E-3 3.129E-1 5.507E-1 4.376E-2 7.844E-2 0 0 5.128E-3 0 39 8.727E-3 3.117E-1 5.458E-1 4.611E-2 8.219E-2 0 0 5.458E-3 0 40 8.475E-3 3.113E-1 5.412E-1 4.805E-2 8.518E-2 0 0 5.791E-3 6.392E-5 41 8.304E-3 3.117E-1 5.382E-1 4.913E-2 8.644E-2 0 0 6.155E-3 1.358E-4 42 8.143E-3 3.112E-1 5.345E-1 5.074E-2 8.878E-2 0 0 6.504E-3 1.981E-4 43 8.032E-3 3.113E-1 5.304E-1 5.226E-2 9.091E-2 0 0 6.860E-3 2.707E-4 44 7.964E-3 3.112E-1 5.268E-1 5.367E-2 9.279E-2 0 0 7.222E-3 3.537E-4 45 7.920E-3 3.113E-1 5.230E-1 5.498E-2 9.474E-2 0 0 7.598E-3 4.475E-4 46 7.915E-3 3.117E-1 5.206E-1 5.582E-2 9.543E-2 0 0 7.988E-3 5.702E-4 47 7.938E-3 3.113E-1 5.164E-1 5.755E-2 9.777E-2 0 0 8.372E-3 6.687E-4 48 7.983E-3 3.108E-1 5.122E-1 5.934E-2 1.002E-1 0 0 8.753E-3 7.658E-4 49 8.062E-3 3.102E-1 5.077E-1 6.110E-2 1.029E-1 0 0 9.176E-3 8.695E-4 50 8.108E-3 3.076E-1 5.013E-1 6.241E-2 1.049E-1 5.205E-3 0 9.501E-3 9.647E-4 51 8.203E-3 3.064E-1 4.956E-1 6.377E-2 1.059E-1 9.128E-3 0 9.898E-3 1.065E-3 52 8.307E-3 3.047E-1 4.899E-1 6.490E-2 1.073E-1 1.350E-2 0 1.028E-2 1.162E-3 53 8.445E-3 3.032E-1 4.835E-1 6.608E-2 1.086E-1 1.828E-2 0 1.067E-2 1.262E-3 54 8.602E-3 3.017E-1 4.774E-1 6.703E-2 1.096E-1 2.336E-2 0 1.106E-2 1.359E-3 55 8.786E-3 3.008E-1 4.715E-1 6.814E-2 1.107E-1 2.716E-2 0 1.146E-2 1.460E-3 56 8.999E-3 3.001E-1 4.663E-1 6.919E-2 1.117E-1 3.026E-2 0 1.189E-2 1.565E-3 57 9.253E-3 2.997E-1 4.613E-1 7.047E-2 1.129E-1 3.232E-2 0 1.234E-2 1.674E-3 58 9.598E-3 3.019E-1 4.610E-1 7.088E-2 1.125E-1 2.945E-2 0 1.290E-2 1.733E-3 59 9.933E-3 3.032E-1 4.583E-1 7.160E-2 1.127E-1 2.902E-2 0 1.344E-2 1.816E-3 60 1.032E-2 3.044E-1 4.556E-1 7.234E-2 1.128E-1 2.864E-2 0 1.400E-2 1.903E-3 61 1.072E-2 3.056E-1 4.532E-1 7.296E-2 1.127E-1 2.826E-2 0 1.457E-2 1.988E-3 62 1.117E-2 3.070E-1 4.504E-1 7.365E-2 1.127E-1 2.787E-2 0 1.515E-2 2.075E-3 63 1.166E-2 3.085E-1 4.476E-1 7.425E-2 1.126E-1 2.748E-2 0 1.575E-2 2.162E-3 64 1.216E-2 3.091E-1 4.435E-1 7.505E-2 1.126E-1 2.901E-2 0 1.632E-2 2.272E-3 65 1.273E-2 3.118E-1 4.417E-1 7.551E-2 1.121E-1 2.678E-2 0 1.702E-2 2.348E-3 66 1.334E-2 3.131E-1 4.390E-1 7.624E-2 1.119E-1 2.639E-2 0 1.766E-2 2.445E-3 67 1.399E-2 3.147E-1 4.360E-1 7.677E-2 1.116E-1 2.603E-2 0 1.834E-2 2.542E-3 68 1.467E-2 3.165E-1 4.327E-1 7.736E-2 1.114E-1 2.568E-2 0 1.903E-2 2.642E-3 69 1.544E-2 3.181E-1 4.296E-1 7.813E-2 1.110E-1 2.535E-2 0 1.975E-2 2.747E-3 70 1.624E-2 3.199E-1 4.264E-1 7.865E-2 1.105E-1 2.508E-2 0 2.046E-2 2.853E-3 71 1.708E-2 3.211E-1 4.218E-1 7.933E-2 1.103E-1 2.629E-2 0 2.117E-2 2.979E-3 72 1.797E-2 3.218E-1 4.174E-1 8.019E-2 1.101E-1 2.753E-2 0 2.189E-2 3.108E-3 73 1.894E-2 3.228E-1 4.130E-1 8.088E-2 1.098E-1 2.867E-2 0 2.262E-2 3.244E-3 74 1.995E-2 3.242E-1 4.082E-1 8.163E-2 1.095E-1 2.976E-2 0 2.337E-2 3.390E-3 75 2.104E-2 3.253E-1 4.032E-1 8.245E-2 1.094E-1 3.085E-2 0 2.414E-2 3.539E-3 76 2.221E-2 3.271E-1 3.980E-1 8.323E-2 1.091E-1 3.181E-2 0 2.491E-2 3.696E-3 77 2.349E-2 3.278E-1 3.936E-1 8.427E-2 1.090E-1 3.222E-2 0 2.576E-2 3.865E-3 78 2.482E-2 3.289E-1 3.885E-1 8.495E-2 1.086E-1 3.352E-2 0 2.657E-2 4.034E-3 79 2.622E-2 3.306E-1 3.831E-1 8.567E-2 1.082E-1 3.452E-2 0 2.741E-2 4.208E-3 80 2.772E-2 3.320E-1 3.780E-1 8.643E-2 1.077E-1 3.577E-2 0 2.801E-2 4.388E-3 81 2.937E-2 3.330E-1 3.725E-1 8.714E-2 1.072E-1 3.705E-2 0 2.914E-2 4.578E-3 82 3.098E-2 3.338E-1 3.665E-1 8.777E-2 1.066E-1 3.827E-2 1.348E-3 2.998E-2 4.761E-3 83 3.282E-2 3.350E-1 3.602E-1 8.864E-2 1.058E-1 3.932E-2 2.384E-3 3.087E-2 4.965E-3 84 3.467E-2 3.358E-1 3.544E-1 8.937E-2 1.049E-1 4.037E-2 3.566E-3 3.177E-2 5.170E-3 85 3.677E-2 3.371E-1 3.479E-1 9.000E-2 1.040E-1 4.129E-2 4.853E-3 3.263E-2 5.378E-3 86 3.891E-2 3.381E-1 3.414E-1 9.081E-2 1.031E-1 4.221E-2 6.237E-3 3.362E-2 5.591E-3 87 4.122E-2 3.390E-1 3.352E-1 9.166E-2 1.022E-1 4.315E-2 7.208E-3 3.459E-2 5.821E-3 88 4.363E-2 3.404E-1 3.288E-1 9.240E-2 1.012E-1 4.401E-2 7.974E-3 3.558E-2 6.057E-3 89 4.625E-2 3.418E-1 3.223E-1 9.317E-2 1.002E-1 4.486E-2 8.554E-3 3.661E-2 6.299E-3 90 4.904E-2 3.430E-1 3.158E-1 9.404E-2 9.912E-2 4.577E-2 9.082E-3 3.762E-2 6.553E-3 91 5.201E-2 3.448E-1 3.098E-1 9.494E-2 9.807E-2 4.623E-2 8.658E-3 3.873E-2 6.821E-3 92 5.517E-2 3.467E-1 3.031E-1 9.571E-2 9.693E-2 4.682E-2 8.692E-3 3.986E-2 7.092E-3 93 5.857E-2 3.481E-1 2.962E-1 9.653E-2 9.591E-2 4.734E-2 9.005E-3 4.102E-2 7.379E-3 94 6.215E-2 3.500E-1 2.894E-1 9.730E-2 9.462E-2 4.782E-2 8.834E-3 4.216E-2 7.670E-3 95 6.215E-2 3.500E-1 2.894E-1 9.730E-2 9.462E-2 4.782E-2 8.834E-3 4.216E-2 7.670E-3 96 6.215E-2 3.500E-1 2.894E-1 9.730E-2 9.462E-2 4.782E-2 8.834E-3 4.216E-2 7.670E-3 97 6.215E-2 3.500E-1 2.894E-1 9.730E-2 9.462E-2 4.782E-2 8.834E-3 4.216E-2 7.670E-3 98 6.215E-2 3.500E-1 2.894E-1 9.730E-2 9.462E-2 4.782E-2 8.834E-3 4.216E-2 7.670E-3 99 6.215E-2 3.500E-1 2.894E-1 9.730E-2 9.462E-2 4.782E-2 8.834E-3 4.216E-2 7.670E-3 100 6.215E-2 3.500E-1 2.894E-1 9.730E-2 9.462E-2 4.782E-2 8.834E-3 4.216E-2 7.670E-3 101 6.215E-2 3.500E-1 2.894E-1 9.730E-2 9.462E-2 4.782E-2 8.834E-3 4.216E-2 7.670E-3 102 6.215E-2 3.500E-1 2.894E-1 9.730E-2 9.462E-2 4.782E-2 8.834E-3 4.216E-2 7.670E-3 103 6.215E-2 3.500E-1 2.894E-1 9.730E-2 9.462E-2 4.782E-2 8.834E-3 4.216E-2 7.670E-3 104 6.215E-2 3.500E-1 2.894E-1 9.730E-2 9.462E-2 4.782E-2 8.834E-3 4.216E-2 7.670E-3 105 6.215E-2 3.500E-1 2.894E-1 9.730E-2 9.462E-2 4.782E-2 8.834E-3 4.216E-2 7.670E-3 106 6.215E-2 3.500E-1 2.894E-1 9.730E-2 9.462E-2 4.782E-2 8.834E-3 4.216E-2 7.670E-3 107 6.215E-2 3.500E-1 2.894E-1 9.730E-2 9.462E-2 4.782E-2 8.834E-3 4.216E-2 7.670E-3 108 6.215E-2 3.500E-1 2.894E-1 9.730E-2 9.462E-2 4.782E-2 8.834E-3 4.216E-2 7.670E-3 109 6.215E-2 3.500E-1 2.894E-1 9.730E-2 9.462E-2 4.782E-2 8.834E-3 4.216E-2 7.670E-3 #S 2 L2 Subshell X-ray emission rates. #U0 File: AP0L2R.DAT received by courtesy of J.L. Campbell #U1 #U2 X-ray emission rates for determining relative x-ray line intensities. #U3 #U4 Reference: J.L.Campbell and J.X.Wang. Interpolated Dirac-Fock values of L #U5 subshell X-ray emission rates including overlap and exchange effects. At.Data #U6 Nucl.Data Tables 43 (1989) 281-291. #U7 #N 8 #L Z L2M1 L2M4 L2N1 L2N4 L2O1 L2O4 L2P1 1 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 7 0 0 0 0 0 0 0 8 0 0 0 0 0 0 0 9 0 0 0 0 0 0 0 10 0 0 0 0 0 0 0 11 0 0 0 0 0 0 0 12 0 0 0 0 0 0 0 13 0 0 0 0 0 0 0 14 0 0 0 0 0 0 0 15 0 0 0 0 0 0 0 16 0 0 0 0 0 0 0 17 0 0 0 0 0 0 0 18 1 0 0 0 0 0 0 19 1 0 0 0 0 0 0 20 1 0 0 0 0 0 0 21 1 0 0 0 0 0 0 22 1 0 0 0 0 0 0 23 1 0 0 0 0 0 0 24 1 0 0 0 0 0 0 25 1 0 0 0 0 0 0 26 8.246E-2 9.103E-1 7.201E-3 0 0 0 0 27 6.939E-2 9.248E-1 5.859E-3 0 0 0 0 28 5.949E-2 9.358E-1 4.745E-3 0 0 0 0 29 5.044E-2 9.481E-1 1.433E-3 0 0 0 0 30 4.609E-2 9.507E-1 3.200E-3 0 0 0 0 31 4.277E-2 9.535E-1 3.745E-3 0 0 0 0 32 4.033E-2 9.557E-1 3.967E-3 0 0 0 0 33 3.837E-2 9.575E-1 4.108E-3 0 0 0 0 34 3.684E-2 9.589E-1 4.226E-3 0 0 0 0 35 3.556E-2 9.601E-1 4.358E-3 0 0 0 0 36 3.451E-2 9.610E-1 4.489E-3 0 0 0 0 37 3.355E-2 9.617E-1 4.797E-3 0 0 0 0 38 3.271E-2 9.622E-1 5.060E-3 0 0 0 0 39 3.195E-2 9.629E-1 5.151E-3 0 0 0 0 40 3.078E-2 9.492E-1 4.977E-3 1.503E-2 0 0 0 41 2.978E-2 9.356E-1 5.005E-3 2.899E-2 5.843E-4 0 0 42 2.905E-2 9.266E-1 5.066E-3 3.901E-2 2.411E-4 0 0 43 2.829E-2 9.170E-1 5.076E-3 4.935E-2 2.353E-4 0 0 44 2.758E-2 9.073E-1 5.066E-3 5.985E-2 2.266E-4 0 0 45 2.708E-2 8.969E-1 5.067E-3 7.074E-2 2.182E-4 0 0 46 2.646E-2 8.841E-1 4.999E-3 8.418E-2 2.071E-4 0 0 47 2.606E-2 8.758E-1 5.019E-3 9.295E-2 2.144E-4 0 0 48 2.567E-2 8.681E-1 5.036E-3 1.006E-1 5.098E-4 0 0 49 2.526E-2 8.611E-1 5.063E-3 1.080E-1 5.971E-4 0 0 50 2.493E-2 8.546E-1 5.113E-3 1.147E-1 6.448E-4 0 0 51 2.455E-2 8.491E-1 5.156E-3 1.205E-1 6.840E-4 0 0 52 2.426E-2 8.439E-1 5.203E-3 1.259E-1 7.266E-4 0 0 53 2.398E-2 8.391E-1 5.240E-3 1.309E-1 7.786E-4 0 0 54 2.373E-2 8.348E-1 5.277E-3 1.353E-1 8.440E-4 0 0 55 2.349E-2 8.306E-1 5.319E-3 1.397E-1 9.086E-4 0 0 56 2.325E-2 8.262E-1 5.356E-3 1.441E-1 9.706E-4 0 1.592E-4 57 2.299E-2 8.228E-1 5.380E-3 1.477E-1 1.016E-3 0 1.768E-4 58 2.292E-2 8.241E-1 5.368E-3 1.465E-1 9.519E-4 0 1.444E-4 59 2.286E-2 8.229E-1 5.389E-3 1.477E-1 9.428E-4 0 1.382E-4 60 2.275E-2 8.222E-1 5.391E-3 1.486E-1 9.350E-4 0 1.325E-4 61 2.271E-2 8.215E-1 5.401E-3 1.493E-1 9.261E-4 0 1.275E-4 62 2.261E-2 8.209E-1 5.399E-3 1.501E-1 9.171E-4 0 1.231E-4 63 2.253E-2 8.206E-1 5.398E-3 1.505E-1 9.091E-4 0 1.191E-4 64 2.244E-2 8.186E-1 5.421E-3 1.524E-1 9.444E-4 0 1.359E-4 65 2.241E-2 8.195E-1 5.406E-3 1.517E-1 8.949E-4 0 1.124E-4 66 2.237E-2 8.190E-1 5.422E-3 1.522E-1 8.878E-4 0 1.094E-4 67 2.237E-2 8.183E-1 5.426E-3 1.529E-1 8.822E-4 0 1.068E-4 68 2.230E-2 8.180E-1 5.426E-3 1.533E-1 8.755E-4 0 1.039E-4 69 2.230E-2 8.172E-1 5.444E-3 1.540E-1 8.697E-4 0 1.013E-4 70 2.228E-2 8.168E-1 5.447E-3 1.545E-1 8.628E-4 0 9.834E-5 71 2.223E-2 8.155E-1 5.456E-3 1.558E-1 8.908E-4 0 1.101E-4 72 2.219E-2 8.139E-1 5.484E-3 1.574E-1 9.210E-4 0 1.160E-4 73 2.207E-2 8.094E-1 5.476E-3 1.584E-1 9.466E-4 3.552E-3 1.194E-4 74 2.204E-2 8.062E-1 5.497E-3 1.599E-1 9.771E-4 5.281E-3 1.221E-4 75 2.195E-2 8.032E-1 5.508E-3 1.610E-1 1.007E-3 7.192E-3 1.242E-4 76 2.188E-2 7.998E-1 5.525E-3 1.623E-1 1.039E-3 9.291E-3 1.258E-4 77 2.178E-2 7.953E-1 5.532E-3 1.632E-1 1.063E-3 1.313E-2 0 78 2.175E-2 7.927E-1 5.559E-3 1.640E-1 1.092E-3 1.485E-2 5.624E-5 79 2.168E-2 7.893E-1 5.581E-3 1.649E-1 1.118E-3 1.741E-2 5.656E-5 80 2.166E-2 7.867E-1 5.597E-3 1.656E-1 1.149E-3 1.915E-2 1.296E-4 81 2.165E-2 7.836E-1 5.621E-3 1.668E-1 1.179E-3 2.098E-2 1.577E-4 82 2.160E-2 7.809E-1 5.649E-3 1.678E-1 1.211E-3 2.273E-2 1.788E-4 83 2.160E-2 7.781E-1 5.672E-3 1.688E-1 1.239E-3 2.436E-2 1.967E-4 84 2.153E-2 7.756E-1 5.701E-3 1.698E-1 1.270E-3 2.590E-2 2.133E-4 85 2.154E-2 7.728E-1 5.725E-3 1.710E-1 1.301E-3 2.741E-2 2.289E-4 86 2.154E-2 7.702E-1 5.755E-3 1.721E-1 1.333E-3 2.883E-2 2.434E-4 87 2.155E-2 7.676E-1 5.789E-3 1.732E-1 1.365E-3 3.027E-2 2.645E-4 88 2.153E-2 7.651E-1 5.817E-3 1.742E-1 1.395E-3 3.168E-2 2.846E-4 89 2.155E-2 7.623E-1 5.851E-3 1.755E-1 1.425E-3 3.305E-2 3.026E-4 90 2.156E-2 7.599E-1 5.879E-3 1.765E-1 1.454E-3 3.438E-2 3.193E-4 91 2.157E-2 7.579E-1 5.911E-3 1.778E-1 1.478E-3 3.504E-2 3.151E-4 92 2.160E-2 7.558E-1 5.945E-3 1.789E-1 1.507E-3 3.592E-2 3.219E-4 93 2.163E-2 7.537E-1 5.977E-3 1.801E-1 1.533E-3 3.678E-2 3.324E-4 94 2.169E-2 7.519E-1 6.010E-3 1.811E-1 1.557E-3 3.738E-2 3.333E-4 95 2.169E-2 7.519E-1 6.010E-3 1.811E-1 1.557E-3 3.738E-2 3.333E-4 96 2.169E-2 7.519E-1 6.010E-3 1.811E-1 1.557E-3 3.738E-2 3.333E-4 97 2.169E-2 7.519E-1 6.010E-3 1.811E-1 1.557E-3 3.738E-2 3.333E-4 98 2.169E-2 7.519E-1 6.010E-3 1.811E-1 1.557E-3 3.738E-2 3.333E-4 99 2.169E-2 7.519E-1 6.010E-3 1.811E-1 1.557E-3 3.738E-2 3.333E-4 100 2.169E-2 7.519E-1 6.010E-3 1.811E-1 1.557E-3 3.738E-2 3.333E-4 101 2.169E-2 7.519E-1 6.010E-3 1.811E-1 1.557E-3 3.738E-2 3.333E-4 102 2.169E-2 7.519E-1 6.010E-3 1.811E-1 1.557E-3 3.738E-2 3.333E-4 103 2.169E-2 7.519E-1 6.010E-3 1.811E-1 1.557E-3 3.738E-2 3.333E-4 104 2.169E-2 7.519E-1 6.010E-3 1.811E-1 1.557E-3 3.738E-2 3.333E-4 105 2.169E-2 7.519E-1 6.010E-3 1.811E-1 1.557E-3 3.738E-2 3.333E-4 106 2.169E-2 7.519E-1 6.010E-3 1.811E-1 1.557E-3 3.738E-2 3.333E-4 107 2.169E-2 7.519E-1 6.010E-3 1.811E-1 1.557E-3 3.738E-2 3.333E-4 108 2.169E-2 7.519E-1 6.010E-3 1.811E-1 1.557E-3 3.738E-2 3.333E-4 109 2.169E-2 7.519E-1 6.010E-3 1.811E-1 1.557E-3 3.738E-2 3.333E-4 #S 3 L3 Subshell X-ray emission rates. #U0 File: AP0L3R.DAT received by courtesy of J.L. Campbell #U1 #U2 X-ray emission rates for determining relative x-ray line intensities. #U3 #U4 Reference: J.L.Campbell and J.X.Wang. Interpolated Dirac-Fock values of L #U5 subshell X-ray emission rates including overlap and exchange effects. At.Data #U6 Nucl.Data Tables 43 (1989) 281-291. #U7 #N 10 #L Z L3M1 L3M4 L3M5 L3N1 L3N4 L3N5 L3O1 L3O45 L3P1 1 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 7 0 0 0 0 0 0 0 0 0 8 0 0 0 0 0 0 0 0 0 9 0 0 0 0 0 0 0 0 0 10 0 0 0 0 0 0 0 0 0 11 0 0 0 0 0 0 0 0 0 12 0 0 0 0 0 0 0 0 0 13 0 0 0 0 0 0 0 0 0 14 0 0 0 0 0 0 0 0 0 15 0 0 0 0 0 0 0 0 0 16 0 0 0 0 0 0 0 0 0 17 0 0 0 0 0 0 0 0 0 18 1 0 0 0 0 0 0 0 0 19 1 0 0 0 0 0 0 0 0 20 1 0 0 0 0 0 0 0 0 21 1 0 0 0 0 0 0 0 0 22 1 0 0 0 0 0 0 0 0 23 1 0 0 0 0 0 0 0 0 24 1 0 0 0 0 0 0 0 0 25 1 0 0 0 0 0 0 0 0 26 8.581E-2 9.302E-2 8.137E-1 7.437E-3 0 0 0 0 0 27 7.263E-2 9.457E-2 8.268E-1 6.042E-3 0 0 0 0 0 28 6.288E-2 9.575E-2 8.364E-1 4.982E-3 0 0 0 0 0 29 5.377E-2 9.734E-2 8.474E-1 1.535E-3 0 0 0 0 0 30 4.935E-2 9.732E-2 8.499E-1 3.474E-3 0 0 0 0 0 31 4.616E-2 9.740E-2 8.524E-1 4.072E-3 0 0 0 0 0 32 4.384E-2 9.744E-2 8.545E-1 4.251E-3 0 0 0 0 0 33 4.204E-2 9.758E-2 8.559E-1 4.523E-3 0 0 0 0 0 34 4.067E-2 9.760E-2 8.570E-1 4.720E-3 0 0 0 0 0 35 3.954E-2 9.762E-2 8.580E-1 4.879E-3 0 0 0 0 0 36 3.865E-2 9.762E-2 8.587E-1 5.003E-3 0 0 0 0 0 37 3.789E-2 9.755E-2 8.593E-1 5.304E-3 0 0 0 0 0 38 3.722E-2 9.762E-2 8.596E-1 5.569E-3 0 0 0 0 0 39 3.665E-2 9.758E-2 8.601E-1 5.714E-3 0 0 0 0 0 40 3.569E-2 9.607E-2 8.468E-1 5.723E-3 1.515E-3 1.341E-2 7.861E-4 0 0 41 3.490E-2 9.471E-2 8.356E-1 5.767E-3 2.925E-3 2.578E-2 3.226E-4 0 0 42 3.429E-2 9.381E-2 8.272E-1 5.884E-3 3.924E-3 3.461E-2 3.170E-4 0 0 43 3.372E-2 9.283E-2 8.185E-1 5.965E-3 4.954E-3 4.370E-2 3.081E-4 0 0 44 3.320E-2 9.182E-2 8.097E-1 6.039E-3 5.999E-3 5.293E-2 3.003E-4 0 0 45 3.293E-2 9.084E-2 8.001E-1 6.089E-3 7.100E-3 6.265E-2 2.909E-4 0 0 46 3.263E-2 8.961E-2 7.892E-1 6.091E-3 8.442E-3 7.400E-2 0 0 0 47 3.237E-2 8.862E-2 7.815E-1 6.163E-3 9.295E-3 8.181E-2 2.635E-4 0 0 48 3.213E-2 8.780E-2 7.746E-1 6.235E-3 1.002E-2 8.859E-2 6.283E-4 0 0 49 3.199E-2 8.704E-2 7.680E-1 6.345E-3 1.074E-2 9.513E-2 7.559E-4 0 0 50 3.183E-2 8.632E-2 7.624E-1 6.467E-3 1.137E-2 1.009E-1 8.068E-4 0 0 51 3.171E-2 8.564E-2 7.573E-1 6.576E-3 1.192E-2 1.060E-1 8.927E-4 0 0 52 3.165E-2 8.514E-2 7.525E-1 6.697E-3 1.243E-2 1.106E-1 9.687E-4 0 0 53 3.158E-2 8.457E-2 7.482E-1 6.818E-3 1.289E-2 1.149E-1 1.036E-3 0 0 54 3.158E-2 8.412E-2 7.442E-1 6.946E-3 1.331E-2 1.187E-1 1.100E-3 0 0 55 3.162E-2 8.378E-2 7.403E-1 7.065E-3 1.370E-2 1.224E-1 1.200E-3 0 0 56 3.169E-2 8.346E-2 7.362E-1 7.176E-3 1.409E-2 1.259E-1 1.301E-3 0 2.123E-4 57 3.175E-2 8.305E-2 7.326E-1 7.300E-3 1.444E-2 1.293E-1 1.381E-3 0 2.383E-4 58 3.205E-2 8.335E-2 7.335E-1 7.356E-3 1.432E-2 1.279E-1 1.304E-3 0 1.971E-4 59 3.227E-2 8.328E-2 7.324E-1 7.446E-3 1.441E-2 1.287E-1 1.305E-3 0 1.903E-4 60 3.246E-2 8.288E-2 7.322E-1 7.528E-3 1.443E-2 1.290E-1 1.301E-3 0 1.842E-4 61 3.275E-2 8.280E-2 7.314E-1 7.612E-3 1.449E-2 1.295E-1 1.302E-3 0 1.794E-4 62 3.308E-2 8.293E-2 7.304E-1 7.727E-3 1.453E-2 1.299E-1 1.306E-3 0 1.753E-4 63 3.333E-2 8.261E-2 7.302E-1 7.796E-3 1.454E-2 1.301E-1 1.306E-3 0 1.710E-4 64 3.360E-2 8.259E-2 7.282E-1 7.914E-3 1.469E-2 1.315E-1 1.371E-3 0 1.970E-4 65 3.399E-2 8.263E-2 7.287E-1 7.995E-3 1.461E-2 1.306E-1 1.316E-3 0 1.650E-4 66 3.437E-2 8.256E-2 7.280E-1 8.104E-3 1.463E-2 1.309E-1 1.321E-3 0 1.624E-4 67 3.474E-2 8.259E-2 7.277E-1 8.214E-3 1.466E-2 1.306E-1 1.328E-3 0 1.602E-4 68 3.510E-2 8.238E-2 7.270E-1 8.319E-3 1.464E-2 1.311E-1 1.331E-3 0 1.576E-4 69 3.546E-2 8.250E-2 7.261E-1 8.425E-3 1.469E-2 1.313E-1 1.339E-3 0 1.554E-4 70 3.591E-2 8.226E-2 7.256E-1 8.530E-3 1.469E-2 1.315E-1 1.344E-3 0 1.528E-4 71 3.625E-2 8.222E-2 7.240E-1 8.659E-3 1.480E-2 1.325E-1 1.404E-3 0 1.737E-4 72 3.674E-2 8.201E-2 7.225E-1 8.789E-3 1.490E-2 1.334E-1 1.467E-3 0 1.851E-4 73 3.698E-2 8.156E-2 7.185E-1 8.903E-3 1.497E-2 1.341E-1 1.528E-3 3.231E-3 1.920E-4 74 3.740E-2 8.134E-2 7.155E-1 9.043E-3 1.506E-2 1.351E-1 1.594E-3 4.798E-3 1.971E-4 75 3.776E-2 8.098E-2 7.126E-1 9.163E-3 1.514E-2 1.359E-1 1.657E-3 6.525E-3 2.006E-4 76 3.810E-2 8.073E-2 7.095E-1 9.308E-3 1.522E-2 1.368E-1 1.732E-3 8.427E-3 2.038E-4 77 3.850E-2 8.026E-2 7.058E-1 9.422E-3 1.526E-2 1.373E-1 1.794E-3 1.161E-2 0 78 3.889E-2 7.995E-2 7.032E-1 9.569E-3 1.531E-2 1.379E-1 1.861E-3 1.327E-2 9.227E-5 79 3.933E-2 7.962E-2 6.999E-1 9.717E-3 1.537E-2 1.385E-1 1.924E-3 1.551E-2 9.384E-5 80 3.973E-2 7.937E-2 6.972E-1 9.873E-3 1.542E-2 1.391E-1 1.998E-3 1.712E-2 2.191E-4 81 4.017E-2 7.900E-2 6.945E-1 1.003E-2 1.547E-2 1.397E-1 2.072E-3 1.882E-2 2.725E-4 82 4.068E-2 7.870E-2 6.918E-1 1.018E-2 1.551E-2 1.402E-1 2.151E-3 2.041E-2 3.180E-4 83 4.112E-2 7.852E-2 6.891E-1 1.034E-2 1.556E-2 1.409E-1 2.236E-3 2.191E-2 3.547E-4 84 4.166E-2 7.826E-2 6.867E-1 1.051E-2 1.561E-2 1.413E-1 2.318E-3 2.325E-2 3.890E-4 85 4.216E-2 7.789E-2 6.840E-1 1.068E-2 1.566E-2 1.422E-1 2.409E-3 2.457E-2 4.208E-4 86 4.269E-2 7.765E-2 6.818E-1 1.084E-2 1.570E-2 1.426E-1 2.495E-3 2.582E-2 4.512E-4 87 4.325E-2 7.742E-2 6.791E-1 1.101E-2 1.577E-2 1.433E-1 2.582E-3 2.706E-2 4.937E-4 88 4.373E-2 7.716E-2 6.765E-1 1.121E-2 1.581E-2 1.441E-1 2.667E-3 2.827E-2 5.364E-4 89 4.435E-2 7.685E-2 6.742E-1 1.137E-2 1.585E-2 1.446E-1 2.754E-3 2.945E-2 5.760E-4 90 4.491E-2 7.659E-2 6.719E-1 1.155E-2 1.589E-2 1.451E-1 2.836E-3 3.056E-2 6.150E-4 91 4.552E-2 7.641E-2 6.700E-1 1.173E-2 1.596E-2 1.459E-1 2.904E-3 3.101E-2 6.139E-4 92 4.617E-2 7.616E-2 6.677E-1 1.191E-2 1.600E-2 1.467E-1 2.971E-3 3.176E-2 6.348E-4 93 4.682E-2 7.596E-2 6.659E-1 1.212E-2 1.605E-2 1.470E-1 3.058E-3 3.244E-2 6.588E-4 94 4.747E-2 7.578E-2 6.642E-1 1.230E-2 1.609E-2 1.476E-1 3.141E-3 3.281E-2 6.679E-4 95 4.747E-2 7.578E-2 6.642E-1 1.230E-2 1.609E-2 1.476E-1 3.141E-3 3.281E-2 6.679E-4 96 4.747E-2 7.578E-2 6.642E-1 1.230E-2 1.609E-2 1.476E-1 3.141E-3 3.281E-2 6.679E-4 97 4.747E-2 7.578E-2 6.642E-1 1.230E-2 1.609E-2 1.476E-1 3.141E-3 3.281E-2 6.679E-4 98 4.747E-2 7.578E-2 6.642E-1 1.230E-2 1.609E-2 1.476E-1 3.141E-3 3.281E-2 6.679E-4 99 4.747E-2 7.578E-2 6.642E-1 1.230E-2 1.609E-2 1.476E-1 3.141E-3 3.281E-2 6.679E-4 100 4.747E-2 7.578E-2 6.642E-1 1.230E-2 1.609E-2 1.476E-1 3.141E-3 3.281E-2 6.679E-4 101 4.747E-2 7.578E-2 6.642E-1 1.230E-2 1.609E-2 1.476E-1 3.141E-3 3.281E-2 6.679E-4 102 4.747E-2 7.578E-2 6.642E-1 1.230E-2 1.609E-2 1.476E-1 3.141E-3 3.281E-2 6.679E-4 103 4.747E-2 7.578E-2 6.642E-1 1.230E-2 1.609E-2 1.476E-1 3.141E-3 3.281E-2 6.679E-4 104 4.747E-2 7.578E-2 6.642E-1 1.230E-2 1.609E-2 1.476E-1 3.141E-3 3.281E-2 6.679E-4 105 4.747E-2 7.578E-2 6.642E-1 1.230E-2 1.609E-2 1.476E-1 3.141E-3 3.281E-2 6.679E-4 106 4.747E-2 7.578E-2 6.642E-1 1.230E-2 1.609E-2 1.476E-1 3.141E-3 3.281E-2 6.679E-4 107 4.747E-2 7.578E-2 6.642E-1 1.230E-2 1.609E-2 1.476E-1 3.141E-3 3.281E-2 6.679E-4 108 4.747E-2 7.578E-2 6.642E-1 1.230E-2 1.609E-2 1.476E-1 3.141E-3 3.281E-2 6.679E-4 109 4.747E-2 7.578E-2 6.642E-1 1.230E-2 1.609E-2 1.476E-1 3.141E-3 3.281E-2 6.679E-4 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/0000755000276300001750000000000013205526235017251 5ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Ni.mat0000644000276300001750000001712413136054446020332 0ustar solebliss00000000000000Ni 1 28 1.000000 3 4 9 87 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.0081E-03 1.0081E-03 1.5000E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 8.3328E-03 8.3328E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 5.0525E+00 2.0491E+00 5.3370E+00 5.0473E+00 5.0473E+00 4.7611E+00 4.4471E+00 3.8376E+00 3.2927E+00 2.8187E+00 2.4175E+00 1.8111E+00 1.7331E+00 1.7331E+00 1.4057E+00 8.6007E-01 5.9472E-01 3.3030E-01 2.0819E-01 1.4396E-01 1.0610E-01 6.4829E-02 4.3670E-02 2.0717E-02 1.2026E-02 7.8405E-03 5.5101E-03 4.0813E-03 3.1429E-03 2.4940E-03 2.0265E-03 1.6786E-03 1.4129E-03 1.2056E-03 9.0752E-04 7.9830E-04 7.0766E-04 5.6713E-04 5.1202E-04 4.9027E-04 3.2814E-04 3.0344E-04 2.6170E-04 2.2800E-04 2.0039E-04 1.5836E-04 1.2836E-04 1.2293E-04 1.0617E-04 7.6023E-05 5.7082E-05 3.2117E-05 2.0553E-05 1.4273E-05 1.0487E-05 8.0302E-06 6.3454E-06 5.1397E-06 4.2480E-06 3.5687E-06 3.0413E-06 2.6227E-06 2.2841E-06 2.0081E-06 1.5863E-06 1.2847E-06 1.0620E-06 8.9239E-07 7.6033E-07 6.5557E-07 5.7112E-07 3.2127E-07 2.0563E-07 1.4273E-07 8.0302E-08 5.1397E-08 2.2841E-08 1.2847E-08 5.7102E-09 3.2117E-09 2.0553E-09 1.4273E-09 8.0302E-10 5.1397E-10 2.2841E-10 1.2847E-10 5.7102E-11 3.2117E-11 2.0553E-11 1.4273E-11 8.0302E-12 5.1397E-12 2.2841E-12 1.2847E-12 5.7102E-13 3.2117E-13 2.0553E-13 1.4273E-13 8.0302E-14 5.1397E-14 INCOHERENT SCATTERING CROSS SECTION 7.8116E-03 6.3978E+25 2.2354E-01 7.9101E-03 7.9101E-03 1.3904E-02 1.9598E-02 3.0034E-02 3.9843E-02 4.8955E-02 5.7266E-02 7.1724E-02 7.3858E-02 7.3858E-02 8.3585E-02 1.0415E-01 1.1646E-01 1.2990E-01 1.3565E-01 1.3770E-01 1.3780E-01 1.3575E-01 1.3226E-01 1.2262E-01 1.1390E-01 1.0646E-01 1.0018E-01 9.4825E-02 9.0204E-02 8.6161E-02 8.2590E-02 7.9406E-02 7.6536E-02 7.3929E-02 6.9363E-02 6.7353E-02 6.5494E-02 6.2141E-02 6.0611E-02 5.9965E-02 5.4229E-02 5.3149E-02 5.1136E-02 4.9304E-02 4.7630E-02 4.4664E-02 4.2090E-02 4.1567E-02 3.9837E-02 3.6111E-02 3.3122E-02 2.7633E-02 2.3867E-02 2.1096E-02 1.8962E-02 1.7259E-02 1.5863E-02 1.4694E-02 1.3709E-02 1.2857E-02 1.2108E-02 1.1461E-02 1.0877E-02 1.0364E-02 9.4678E-03 8.7310E-03 8.1092E-03 7.5777E-03 7.1160E-03 6.7127E-03 6.3566E-03 5.0504E-03 4.2162E-03 3.6324E-03 2.8648E-03 2.3775E-03 1.6931E-03 1.3278E-03 9.4103E-04 7.3704E-04 6.1011E-04 5.2238E-04 4.0797E-04 3.3563E-04 2.3436E-04 1.8141E-04 1.2611E-04 9.7366E-05 7.9604E-05 6.7507E-05 5.2013E-05 4.2470E-05 2.9346E-05 2.2564E-05 1.5556E-05 1.1944E-05 9.7274E-06 8.2231E-06 6.3053E-06 5.1294E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 9.8505E+03 3.7130E+06 5.8748E+04 9.6514E+03 1.0989E+04 4.2296E+03 2.0440E+03 7.0564E+02 3.2486E+02 1.7639E+02 1.0651E+02 4.7641E+01 4.2470E+01 3.2753E+02 2.0748E+02 6.9846E+01 3.1491E+01 9.8833E+00 4.2562E+00 2.1928E+00 1.2672E+00 5.2998E-01 2.6802E-01 7.7460E-02 3.2291E-02 1.6556E-02 9.7017E-03 6.2404E-03 4.2993E-03 3.1224E-03 2.3651E-03 1.8534E-03 1.4909E-03 1.2247E-03 8.7551E-04 7.6033E-04 6.7034E-04 5.3139E-04 4.7303E-04 4.4922E-04 3.0372E-04 2.8314E-04 2.4768E-04 2.1887E-04 1.9547E-04 1.6012E-04 1.3483E-04 1.3021E-04 1.1595E-04 8.9923E-05 7.3006E-05 4.9099E-05 3.6714E-05 2.9213E-05 2.4216E-05 2.0655E-05 1.7998E-05 1.5935E-05 1.4293E-05 1.2960E-05 1.1841E-05 1.0907E-05 1.0108E-05 9.4165E-06 8.2826E-06 7.3909E-06 6.6717E-06 6.0796E-06 5.5840E-06 5.1633E-06 4.8011E-06 3.5534E-06 2.8207E-06 2.3374E-06 1.7413E-06 1.3873E-06 9.2020E-07 6.8830E-07 4.5764E-07 3.4271E-07 2.7397E-07 2.2820E-07 1.7105E-07 1.3678E-07 9.1117E-08 6.8317E-08 4.5538E-08 3.4148E-08 2.7315E-08 2.2759E-08 1.7074E-08 1.3657E-08 9.1035E-09 6.8276E-09 4.5517E-09 3.4138E-09 2.7304E-09 2.2759E-09 1.7064E-09 1.3657E-09 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 7.9799E-05 1.2620E-04 2.4761E-04 4.0233E-04 5.8574E-04 1.0210E-03 1.5176E-03 1.6315E-03 2.0432E-03 3.1220E-03 4.1885E-03 6.6747E-03 8.8675E-03 1.0815E-02 1.2549E-02 1.4109E-02 1.5525E-02 1.6797E-02 1.7967E-02 1.9024E-02 2.0009E-02 2.0922E-02 2.1784E-02 2.2584E-02 2.4052E-02 2.5355E-02 2.6545E-02 2.7622E-02 2.8607E-02 2.9510E-02 3.0342E-02 3.3748E-02 3.6293E-02 3.8294E-02 4.1259E-02 4.3383E-02 4.6780E-02 4.8811E-02 5.1192E-02 5.2556E-02 5.3459E-02 5.4106E-02 5.4958E-02 5.5522E-02 5.6322E-02 5.6763E-02 5.7235E-02 5.7492E-02 5.7656E-02 5.7769E-02 5.7913E-02 5.8005E-02 5.8128E-02 5.8200E-02 5.8272E-02 5.8313E-02 5.8333E-02 5.8344E-02 5.8374E-02 5.8385E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.1100E-07 3.2918E-06 1.1595E-05 4.7313E-05 9.4247E-05 1.4468E-04 1.9496E-04 2.4380E-04 2.9049E-04 3.3492E-04 3.7699E-04 4.1670E-04 4.5415E-04 4.8996E-04 5.2372E-04 5.5594E-04 6.1576E-04 6.7024E-04 7.2032E-04 7.6639E-04 8.0897E-04 8.4868E-04 8.8562E-04 1.0394E-03 1.1574E-03 1.2518E-03 1.3945E-03 1.4991E-03 1.6746E-03 1.7854E-03 1.9229E-03 2.0050E-03 2.0624E-03 2.1045E-03 2.1620E-03 2.2010E-03 2.2584E-03 2.2913E-03 2.3272E-03 2.3487E-03 2.3610E-03 2.3703E-03 2.3826E-03 2.3908E-03 2.4011E-03 2.4072E-03 2.4134E-03 2.4164E-03 2.4195E-03 2.4206E-03 2.4216E-03 2.4236E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/KCl.mat0000644000276300001750000001714113136054446020434 0ustar solebliss00000000000000KCl 2 17 19 0.475550 0.524450 3 6 3 91 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 2.8224E-03 2.8224E-03 3.0000E-03 3.6074E-03 3.6074E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 3.1980E+00 4.2505E+01 3.8263E+00 2.9444E+00 2.6810E+00 2.2703E+00 2.2703E+00 2.1899E+00 1.9372E+00 1.9372E+00 1.7951E+00 1.5005E+00 1.2823E+00 9.8728E-01 7.9115E-01 4.8742E-01 3.2360E-01 1.7351E-01 1.0971E-01 7.5948E-02 5.5648E-02 3.3402E-02 2.2190E-02 1.0365E-02 5.9720E-03 3.8731E-03 2.7109E-03 2.0016E-03 1.5375E-03 1.2178E-03 9.8817E-04 8.1775E-04 6.8783E-04 5.8653E-04 4.4105E-04 3.8782E-04 3.4368E-04 2.7529E-04 2.4848E-04 2.3789E-04 1.5913E-04 1.4715E-04 1.2690E-04 1.1055E-04 9.7176E-05 7.6792E-05 6.2208E-05 5.9558E-05 5.1413E-05 3.6811E-05 2.7651E-05 1.5559E-05 9.9584E-06 6.9155E-06 5.0810E-06 3.8895E-06 3.0736E-06 2.4896E-06 2.0574E-06 1.7291E-06 1.4729E-06 1.2702E-06 1.1065E-06 9.7258E-07 7.6837E-07 6.2240E-07 5.1440E-07 4.3225E-07 3.6827E-07 3.1754E-07 2.7667E-07 1.5560E-07 9.9584E-08 6.9155E-08 3.8895E-08 2.4888E-08 1.1064E-08 6.2232E-09 2.7667E-09 1.5559E-09 9.9584E-10 6.9155E-10 3.8895E-10 2.4888E-10 1.1064E-10 6.2232E-11 2.7667E-11 1.5559E-11 9.9584E-12 6.9155E-12 3.8895E-12 2.4888E-12 1.1064E-12 6.2232E-13 2.7667E-13 1.5559E-13 9.9584E-14 6.9155E-14 3.8895E-14 2.4888E-14 INCOHERENT SCATTERING CROSS SECTION 1.0444E-02 4.3154E-03 4.2344E-03 1.8309E-02 2.6471E-02 3.9405E-02 3.9405E-02 4.2029E-02 5.0438E-02 5.0438E-02 5.5382E-02 6.6400E-02 7.5423E-02 8.9333E-02 9.9915E-02 1.1862E-01 1.3010E-01 1.4101E-01 1.4477E-01 1.4562E-01 1.4498E-01 1.4162E-01 1.3719E-01 1.2601E-01 1.1647E-01 1.0858E-01 1.0200E-01 9.6437E-02 9.1660E-02 8.7499E-02 8.3832E-02 8.0565E-02 7.7628E-02 7.4967E-02 7.0312E-02 6.8258E-02 6.6355E-02 6.2939E-02 6.1400E-02 6.0754E-02 5.4921E-02 5.3825E-02 5.1788E-02 4.9929E-02 4.8220E-02 4.5192E-02 4.2611E-02 4.2094E-02 4.0368E-02 3.6585E-02 3.3531E-02 2.7974E-02 2.4153E-02 2.1350E-02 1.9193E-02 1.7464E-02 1.6056E-02 1.4875E-02 1.3875E-02 1.3013E-02 1.2258E-02 1.1597E-02 1.1011E-02 1.0486E-02 9.5828E-03 8.8372E-03 8.2079E-03 7.6699E-03 7.2030E-03 6.7943E-03 6.4332E-03 5.1125E-03 4.2675E-03 3.6770E-03 2.9000E-03 2.4072E-03 1.7141E-03 1.3438E-03 9.5246E-04 7.4599E-04 6.1755E-04 5.2870E-04 4.1294E-04 3.3976E-04 2.3725E-04 1.8361E-04 1.2768E-04 9.8550E-05 8.0577E-05 6.8323E-05 5.2652E-05 4.2982E-05 2.9702E-05 2.2836E-05 1.5749E-05 1.2091E-05 9.8461E-06 8.3234E-06 6.3823E-06 5.1916E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 3.4711E+03 1.4102E+06 2.1171E+04 1.2054E+03 5.5802E+02 2.1803E+02 9.1191E+02 8.1344E+02 5.1461E+02 1.0747E+03 8.1821E+02 4.5608E+02 2.8006E+02 1.2708E+02 6.7806E+01 2.1002E+01 8.9608E+00 2.6285E+00 1.0846E+00 5.4186E-01 3.0615E-01 1.2371E-01 6.1085E-02 1.6976E-02 6.9066E-03 3.4820E-03 2.0156E-03 1.2846E-03 8.7871E-04 6.3455E-04 4.7861E-04 3.7387E-04 2.9985E-04 2.4553E-04 1.7494E-04 1.5213E-04 1.3455E-04 1.0685E-04 9.4608E-05 8.9519E-05 6.0624E-05 5.6608E-05 4.9575E-05 4.3822E-05 3.9175E-05 3.2194E-05 2.7206E-05 2.6293E-05 2.3470E-05 1.8299E-05 1.4923E-05 1.0123E-05 7.6158E-06 6.0867E-06 5.0632E-06 4.3297E-06 3.7804E-06 3.3539E-06 3.0130E-06 2.7336E-06 2.5025E-06 2.3070E-06 2.1394E-06 1.9942E-06 1.7560E-06 1.5691E-06 1.4173E-06 1.2925E-06 1.1882E-06 1.0991E-06 1.0224E-06 7.5811E-07 6.0229E-07 4.9962E-07 3.7255E-07 2.9694E-07 1.9701E-07 1.4739E-07 9.8049E-08 7.3452E-08 5.8718E-08 4.8903E-08 3.6657E-08 2.9323E-08 1.9535E-08 1.4648E-08 9.7629E-09 7.3218E-09 5.8565E-09 4.8807E-09 3.6601E-09 2.9282E-09 1.9521E-09 1.4636E-09 9.7597E-10 7.3194E-10 5.8548E-10 4.8790E-10 3.6593E-10 2.9282E-10 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 4.5898E-05 7.3654E-05 1.4794E-04 2.4444E-04 3.5985E-04 6.3548E-04 9.5351E-04 1.0273E-03 1.2947E-03 1.9945E-03 2.6875E-03 4.3273E-03 5.7830E-03 7.0835E-03 8.2410E-03 9.2823E-03 1.0226E-02 1.1081E-02 1.1858E-02 1.2569E-02 1.3229E-02 1.3842E-02 1.4415E-02 1.4955E-02 1.5934E-02 1.6820E-02 1.7611E-02 1.8337E-02 1.8999E-02 1.9605E-02 2.0162E-02 2.2489E-02 2.4226E-02 2.5575E-02 2.7570E-02 2.9016E-02 3.1358E-02 3.2796E-02 3.4493E-02 3.5478E-02 3.6132E-02 3.6609E-02 3.7239E-02 3.7651E-02 3.8249E-02 3.8580E-02 3.8927E-02 3.9121E-02 3.9242E-02 3.9323E-02 3.9444E-02 3.9509E-02 3.9606E-02 3.9662E-02 3.9719E-02 3.9743E-02 3.9759E-02 3.9775E-02 3.9792E-02 3.9792E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 1.1220E-07 3.3295E-06 1.1733E-05 4.7910E-05 9.5448E-05 1.4657E-04 1.9758E-04 2.4710E-04 2.9452E-04 3.3967E-04 3.8257E-04 4.2296E-04 4.6117E-04 4.9760E-04 5.3209E-04 5.6497E-04 6.2612E-04 6.8193E-04 7.3323E-04 7.8057E-04 8.2443E-04 8.6522E-04 9.0327E-04 1.0626E-03 1.1853E-03 1.2838E-03 1.4345E-03 1.5468E-03 1.7359E-03 1.8579E-03 2.0122E-03 2.1051E-03 2.1705E-03 2.2190E-03 2.2860E-03 2.3305E-03 2.3991E-03 2.4379E-03 2.4807E-03 2.5066E-03 2.5219E-03 2.5324E-03 2.5470E-03 2.5558E-03 2.5696E-03 2.5768E-03 2.5841E-03 2.5882E-03 2.5914E-03 2.5930E-03 2.5946E-03 2.5962E-03PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Li.mat0000644000276300001750000001642013136054446020326 0ustar solebliss00000000000000Li 1 3 1.000000 1 96 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 4.1073E-01 8.9458E+00 5.8355E-01 3.4193E-01 2.9204E-01 2.3157E-01 1.9357E-01 1.6389E-01 1.3899E-01 1.0090E-01 7.4849E-02 4.0136E-02 2.4736E-02 1.1990E-02 7.0060E-03 4.5723E-03 3.2111E-03 1.8272E-03 1.1765E-03 5.2569E-04 2.9629E-04 1.8981E-04 1.3188E-04 9.6912E-05 7.4207E-05 5.8638E-05 4.7502E-05 3.9263E-05 3.2996E-05 2.8117E-05 2.1119E-05 1.8558E-05 1.6435E-05 1.3156E-05 1.1878E-05 1.1374E-05 7.6038E-06 7.0299E-06 6.0617E-06 5.2803E-06 4.6399E-06 3.6647E-06 2.9699E-06 2.8441E-06 2.4563E-06 1.7581E-06 1.3196E-06 7.4259E-07 4.7528E-07 3.3004E-07 2.4250E-07 1.8567E-07 1.4671E-07 1.1878E-07 9.8214E-08 8.2510E-08 7.0303E-08 6.0620E-08 5.2803E-08 4.6409E-08 3.6674E-08 2.9707E-08 2.4545E-08 2.0623E-08 1.7578E-08 1.5157E-08 1.3205E-08 7.4251E-09 4.7519E-09 3.3004E-09 1.8558E-09 1.1878E-09 5.2786E-10 2.9690E-10 1.3196E-10 7.4233E-11 4.7511E-11 3.2996E-11 1.8558E-11 1.1878E-11 5.2786E-12 2.9690E-12 1.3196E-12 7.4233E-13 4.7511E-13 3.2996E-13 1.8558E-13 1.1878E-13 5.2786E-14 2.9690E-14 1.3196E-14 7.4233E-15 4.7511E-15 3.2996E-15 1.8558E-15 1.1878E-15 INCOHERENT SCATTERING CROSS SECTION 3.0792E-02 1.9344E+00 1.7614E-02 4.5749E-02 5.5337E-02 6.9149E-02 8.1218E-02 9.2228E-02 1.0212E-01 1.1774E-01 1.2867E-01 1.4264E-01 1.4767E-01 1.4906E-01 1.4680E-01 1.4368E-01 1.4029E-01 1.3361E-01 1.2763E-01 1.1522E-01 1.0568E-01 9.8129E-02 9.1968E-02 8.6810E-02 8.2415E-02 7.8613E-02 7.5275E-02 7.2306E-02 6.9644E-02 6.7239E-02 6.3044E-02 6.1193E-02 5.9478E-02 5.6401E-02 5.5016E-02 5.4434E-02 4.9194E-02 4.8209E-02 4.6382E-02 4.4717E-02 4.3190E-02 4.0483E-02 3.8158E-02 3.7689E-02 3.6132E-02 3.2745E-02 3.0020E-02 2.5039E-02 2.1621E-02 1.9114E-02 1.7179E-02 1.5634E-02 1.4368E-02 1.3318E-02 1.2416E-02 1.1643E-02 1.0975E-02 1.0377E-02 9.8561E-03 9.3876E-03 8.5781E-03 7.9101E-03 7.3470E-03 6.8655E-03 6.4464E-03 6.0811E-03 5.7584E-03 4.5758E-03 3.8201E-03 3.2909E-03 2.5959E-03 2.1543E-03 1.5339E-03 1.2025E-03 8.5252E-04 6.6772E-04 5.5267E-04 4.7320E-04 3.6961E-04 3.0410E-04 2.1239E-04 1.6433E-04 1.1427E-04 8.8237E-05 7.2125E-05 6.1158E-05 4.7120E-05 3.8470E-05 2.6584E-05 2.0441E-05 1.4099E-05 1.0819E-05 8.8150E-06 7.4494E-06 5.7124E-06 4.6470E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 2.3339E+02 7.6356E+05 2.0422E+03 6.6295E+01 2.6723E+01 7.2481E+00 2.8397E+00 1.3630E+00 7.4650E-01 2.8675E-01 1.3604E-01 3.4783E-02 1.3153E-02 3.3325E-03 1.2537E-03 5.8738E-04 3.1625E-04 1.1912E-04 5.6083E-05 1.4455E-05 5.6230E-06 2.7497E-06 1.5582E-06 9.7827E-07 6.6069E-07 4.7181E-07 3.5407E-07 2.7662E-07 2.1977E-07 1.7568E-07 1.2304E-07 1.1071E-07 1.0410E-07 8.5487E-08 6.8880E-08 6.1063E-08 4.1542E-08 3.9581E-08 3.4712E-08 3.0245E-08 2.6914E-08 2.2392E-08 1.9192E-08 1.8576E-08 1.6663E-08 1.3155E-08 1.0845E-08 7.4988E-09 5.7141E-09 4.6097E-09 3.8609E-09 3.3195E-09 2.9109E-09 2.5916E-09 2.3348E-09 2.1239E-09 1.9487E-09 1.7994E-09 1.6719E-09 1.5608E-09 1.3778E-09 1.2329E-09 1.1158E-09 1.0195E-09 9.3790E-10 8.6849E-10 8.0853E-10 6.0135E-10 4.7866E-10 3.9754E-10 2.9690E-10 2.3686E-10 1.5739E-10 1.1782E-10 7.8424E-11 5.8772E-11 4.6990E-11 3.9147E-11 2.9352E-11 2.3469E-11 1.5643E-11 1.1730E-11 7.8190E-12 5.8634E-12 4.6903E-12 3.9086E-12 2.9317E-12 2.3452E-12 1.5634E-12 1.1722E-12 7.8164E-13 5.8625E-13 4.6895E-13 3.9078E-13 2.9308E-13 2.3452E-13 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 6.1184E-06 9.9547E-06 2.0438E-05 3.4297E-05 5.1015E-05 9.1082E-05 1.3734E-04 1.4810E-04 1.8722E-04 2.9075E-04 3.9433E-04 6.4056E-04 8.6016E-04 1.0576E-03 1.2338E-03 1.3934E-03 1.5374E-03 1.6693E-03 1.7890E-03 1.8992E-03 2.0025E-03 2.0979E-03 2.1873E-03 2.2723E-03 2.4276E-03 2.5673E-03 2.6948E-03 2.8111E-03 2.9187E-03 3.0176E-03 3.1104E-03 3.4913E-03 3.7785E-03 4.0093E-03 4.3633E-03 4.6166E-03 5.0331E-03 5.2925E-03 5.6092E-03 5.7983E-03 5.9267E-03 6.0195E-03 6.1471E-03 6.2312E-03 6.3544E-03 6.4238E-03 6.4993E-03 6.5401E-03 6.5661E-03 6.5852E-03 6.6086E-03 6.6243E-03 6.6451E-03 6.6572E-03 6.6694E-03 6.6755E-03 6.6798E-03 6.6824E-03 6.6859E-03 6.6876E-03 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.0036E-07 2.9786E-06 1.0498E-05 4.2878E-05 8.5443E-05 1.3127E-04 1.7691E-04 2.2133E-04 2.6393E-04 3.0445E-04 3.4297E-04 3.7941E-04 4.1377E-04 4.4665E-04 4.7788E-04 5.0773E-04 5.6317E-04 6.1401E-04 6.6095E-04 7.0433E-04 7.4476E-04 7.8250E-04 8.1790E-04 9.6739E-04 1.0845E-03 1.1808E-03 1.3301E-03 1.4437E-03 1.6415E-03 1.7717E-03 1.9417E-03 2.0502E-03 2.1283E-03 2.1873E-03 2.2723E-03 2.3313E-03 2.4233E-03 2.4779E-03 2.5404E-03 2.5768E-03 2.6003E-03 2.6167E-03 2.6393E-03 2.6532E-03 2.6740E-03 2.6853E-03 2.6966E-03 2.7035E-03 2.7078E-03 2.7113E-03 2.7139E-03 2.7165E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Al.mat0000644000276300001750000001666213136054446020326 0ustar solebliss00000000000000Aluminum 1 13 1.000000 2 5 93 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 1.5596E-03 1.5596E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 2.5000E-01 3.0000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 2.2565E+00 4.1540E+01 2.7999E+00 2.0400E+00 2.0146E+00 2.0146E+00 1.8382E+00 1.5226E+00 1.2954E+00 1.1155E+00 9.6375E-01 7.2293E-01 5.5129E-01 3.1359E-01 2.0458E-01 1.0954E-01 6.8588E-02 4.6782E-02 3.3859E-02 2.0047E-02 1.3235E-02 6.1222E-03 3.5042E-03 2.2630E-03 2.2630E-03 1.5798E-03 8.9345E-04 7.0690E-04 5.7316E-04 4.7408E-04 3.9863E-04 3.3983E-04 2.5541E-04 2.2453E-04 1.9893E-04 1.5931E-04 1.4380E-04 1.3769E-04 9.2068E-05 8.5122E-05 7.3397E-05 6.3945E-05 5.6216E-05 4.4435E-05 3.5979E-05 3.4439E-05 2.9715E-05 2.1281E-05 1.5994E-05 8.9970E-06 5.7584E-06 3.9996E-06 2.9372E-06 2.2498E-06 1.7773E-06 1.4396E-06 1.1899E-06 9.9969E-07 8.5193E-07 7.3453E-07 6.3990E-07 5.6245E-07 4.4438E-07 3.6001E-07 2.9752E-07 2.4998E-07 2.1295E-07 1.8362E-07 1.5996E-07 8.9970E-08 5.7584E-08 3.9996E-08 2.2498E-08 1.4394E-08 6.3968E-09 3.5979E-09 1.5994E-09 8.9970E-10 5.7584E-10 3.9974E-10 2.2498E-10 1.4394E-10 6.3968E-11 3.5979E-11 1.5994E-11 8.9970E-12 5.7584E-12 3.9974E-12 2.2498E-12 1.4394E-12 6.3968E-13 3.5979E-13 1.5994E-13 8.9970E-14 5.7584E-14 3.9974E-14 2.2498E-14 1.4394E-14 INCOHERENT SCATTERING CROSS SECTION 1.4271E-02 2.3109E-01 6.2020E-03 2.4775E-02 2.5935E-02 2.5935E-02 3.3747E-02 4.7317E-02 5.8098E-02 6.7874E-02 7.6958E-02 9.2916E-02 1.0579E-01 1.2651E-01 1.3709E-01 1.4644E-01 1.4943E-01 1.4959E-01 1.4831E-01 1.4389E-01 1.3878E-01 1.2673E-01 1.1680E-01 1.0873E-01 1.0873E-01 1.0207E-01 9.1621E-02 8.7427E-02 8.3743E-02 8.0475E-02 7.7538E-02 7.4870E-02 7.0199E-02 6.8141E-02 6.6240E-02 6.2829E-02 6.1289E-02 6.0642E-02 5.4817E-02 5.3719E-02 5.1679E-02 4.9817E-02 4.8107E-02 4.5086E-02 4.2519E-02 4.2005E-02 4.0289E-02 3.6513E-02 3.3457E-02 2.7899E-02 2.4105E-02 2.1304E-02 1.9148E-02 1.7427E-02 1.6021E-02 1.4842E-02 1.3845E-02 1.2983E-02 1.2231E-02 1.1573E-02 1.0986E-02 1.0461E-02 9.5617E-03 8.8184E-03 8.1890E-03 7.6533E-03 7.1869E-03 6.7784E-03 6.4191E-03 5.1000E-03 4.2586E-03 3.6693E-03 2.8926E-03 2.4016E-03 1.7101E-03 1.3410E-03 9.5036E-04 7.4435E-04 6.1624E-04 5.2763E-04 4.1202E-04 3.3903E-04 2.3681E-04 1.8322E-04 1.2740E-04 9.8340E-05 8.0395E-05 6.8186E-05 5.2518E-05 4.2876E-05 2.9640E-05 2.2788E-05 1.5715E-05 1.2064E-05 9.8250E-06 8.3051E-06 6.3677E-06 5.1803E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 1.1829E+03 5.5788E+05 7.5470E+03 4.0019E+02 3.6001E+02 3.9550E+03 2.2610E+03 7.8654E+02 3.5912E+02 1.9222E+02 1.1425E+02 4.9505E+01 2.5556E+01 7.5150E+00 3.1002E+00 8.7225E-01 3.5042E-01 1.7177E-01 9.5639E-02 3.7832E-02 1.8402E-02 4.9929E-03 2.0021E-03 9.9932E-04 9.9932E-04 5.7428E-04 2.4797E-04 1.7851E-04 1.3439E-04 1.0489E-04 8.4010E-05 6.8631E-05 4.8791E-05 4.2519E-05 3.7762E-05 3.0052E-05 2.6426E-05 2.4886E-05 1.6878E-05 1.5787E-05 1.3834E-05 1.2222E-05 1.0930E-05 9.0062E-06 7.6333E-06 7.3810E-06 6.5994E-06 5.1632E-06 4.2228E-06 2.8814E-06 2.1753E-06 1.7436E-06 1.4532E-06 1.2448E-06 1.0883E-06 9.6643E-07 8.6912E-07 7.8944E-07 7.2293E-07 6.6691E-07 6.1870E-07 5.7718E-07 5.0866E-07 4.5465E-07 4.1090E-07 3.7497E-07 3.4461E-07 3.1895E-07 2.9685E-07 2.2029E-07 1.7512E-07 1.4532E-07 1.0841E-07 8.6443E-08 5.7383E-08 4.2943E-08 2.8569E-08 2.1404E-08 1.7112E-08 1.4253E-08 1.0684E-08 8.5439E-09 5.6937E-09 4.2697E-09 2.8457E-09 2.1342E-09 1.7072E-09 1.4226E-09 1.0669E-09 8.5350E-10 5.6892E-10 4.2675E-10 2.8457E-10 2.1335E-10 1.7068E-10 1.4224E-10 1.0666E-10 8.5327E-11 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 3.1337E-05 5.0597E-05 1.0263E-04 1.7079E-04 2.5267E-04 4.4866E-04 6.7472E-04 7.2717E-04 9.1748E-04 1.4189E-03 1.9184E-03 3.1024E-03 4.1537E-03 5.0978E-03 5.9370E-03 6.6936E-03 7.3766E-03 7.9993E-03 8.5640E-03 9.0818E-03 9.5617E-03 1.0008E-02 1.0428E-02 1.0818E-02 1.1537E-02 1.2180E-02 1.2760E-02 1.3289E-02 1.3773E-02 1.4220E-02 1.4633E-02 1.6340E-02 1.7612E-02 1.8619E-02 2.0130E-02 2.1210E-02 2.2944E-02 2.4016E-02 2.5266E-02 2.6002E-02 2.6493E-02 2.6828E-02 2.7297E-02 2.7609E-02 2.8056E-02 2.8301E-02 2.8569E-02 2.8725E-02 2.8814E-02 2.8881E-02 2.8948E-02 2.9015E-02 2.9082E-02 2.9127E-02 2.9149E-02 2.9172E-02 2.9194E-02 2.9194E-02 2.9216E-02 2.9216E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 1.1192E-07 3.3215E-06 1.1707E-05 4.7808E-05 9.5237E-05 1.4628E-04 1.9721E-04 2.4663E-04 2.9417E-04 3.3926E-04 3.8211E-04 4.2251E-04 4.6090E-04 4.9728E-04 5.3187E-04 5.6491E-04 6.2628E-04 6.8231E-04 7.3386E-04 7.8140E-04 8.2560E-04 8.6667E-04 9.0528E-04 1.0664E-03 1.1912E-03 1.2919E-03 1.4461E-03 1.5608E-03 1.7552E-03 1.8806E-03 2.0387E-03 2.1364E-03 2.2047E-03 2.2565E-03 2.3279E-03 2.3748E-03 2.4484E-03 2.4909E-03 2.5377E-03 2.5645E-03 2.5824E-03 2.5935E-03 2.6091E-03 2.6203E-03 2.6337E-03 2.6426E-03 2.6516E-03 2.6560E-03 2.6582E-03 2.6605E-03 2.6627E-03 2.6649E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Rb.mat0000644000276300001750000001774013136054446020333 0ustar solebliss00000000000000Rb 1 37 1.000000 5 5 3 3 9 85 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 1.8044E-03 1.8044E-03 1.8339E-03 1.8639E-03 1.8639E-03 2.0000E-03 2.0651E-03 2.0651E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 1.5200E-02 1.5200E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 5.9955E+00 2.7800E+01 6.7813E+00 5.6517E+00 5.4389E+00 5.4389E+00 5.4172E+00 5.3952E+00 5.3952E+00 5.2958E+00 5.2486E+00 5.2486E+00 4.5990E+00 3.9853E+00 3.4808E+00 3.0686E+00 2.4309E+00 1.9539E+00 1.2021E+00 1.1816E+00 1.1816E+00 8.1735E-01 4.6300E-01 2.9791E-01 2.0645E-01 1.5170E-01 9.2515E-02 6.2605E-02 3.0101E-02 1.7573E-02 1.1492E-02 8.0960E-03 6.0093E-03 4.6356E-03 3.6832E-03 2.9960E-03 2.4841E-03 2.0927E-03 1.7868E-03 1.3466E-03 1.1852E-03 1.0512E-03 8.4295E-04 7.6098E-04 7.2856E-04 4.8794E-04 4.5129E-04 3.8929E-04 3.3920E-04 2.9817E-04 2.3567E-04 1.9102E-04 1.8292E-04 1.5797E-04 1.1314E-04 8.4976E-05 4.7815E-05 3.0608E-05 2.1258E-05 1.5614E-05 1.1957E-05 9.4488E-06 7.6521E-06 6.3246E-06 5.3142E-06 4.5285E-06 3.9042E-06 3.4011E-06 2.9897E-06 2.3618E-06 1.9130E-06 1.5811E-06 1.3289E-06 1.1323E-06 9.7588E-07 8.5046E-07 4.7829E-07 3.0615E-07 2.1258E-07 1.1957E-07 7.6521E-08 3.4011E-08 1.9130E-08 8.5046E-09 4.7829E-09 3.0608E-09 2.1258E-09 1.1957E-09 7.6521E-10 3.4011E-10 1.9130E-10 8.5046E-11 4.7829E-11 3.0608E-11 2.1258E-11 1.1957E-11 7.6521E-12 3.4011E-12 1.9130E-12 8.5046E-13 4.7829E-13 3.0608E-13 2.1258E-13 1.1957E-13 7.6521E-14 INCOHERENT SCATTERING CROSS SECTION 6.9651E-03 1.0702E-03 3.0127E-03 1.1492E-02 1.4325E-02 1.4325E-02 1.4601E-02 1.4881E-02 1.4881E-02 1.6143E-02 1.6749E-02 1.6749E-02 2.5232E-02 3.3603E-02 4.1114E-02 4.7702E-02 5.8694E-02 6.7748E-02 8.5046E-02 8.5610E-02 8.5610E-02 9.6813E-02 1.1041E-01 1.1697E-01 1.1999E-01 1.2105E-01 1.2014E-01 1.1760E-01 1.0971E-01 1.0231E-01 9.5909E-02 9.0401E-02 8.5641E-02 8.1523E-02 7.7939E-02 7.4759E-02 7.1895E-02 6.9305E-02 6.6957E-02 6.2848E-02 6.1033E-02 5.9350E-02 5.6318E-02 5.4945E-02 5.4368E-02 4.9168E-02 4.8190E-02 4.6373E-02 4.4714E-02 4.3191E-02 4.0489E-02 3.8176E-02 3.7711E-02 3.6162E-02 3.2780E-02 3.0052E-02 2.5070E-02 2.1653E-02 1.9137E-02 1.7200E-02 1.5656E-02 1.4395E-02 1.3338E-02 1.2436E-02 1.1668E-02 1.0992E-02 1.0393E-02 9.8716E-03 9.3995E-03 8.5892E-03 7.9198E-03 7.3561E-03 6.8763E-03 6.4570E-03 6.0906E-03 5.7672E-03 4.5835E-03 3.8260E-03 3.2962E-03 2.5993E-03 2.1575E-03 1.5368E-03 1.2049E-03 8.5399E-04 6.6874E-04 5.5361E-04 4.7399E-04 3.7020E-04 3.0453E-04 2.1272E-04 1.6460E-04 1.1443E-04 8.8358E-05 7.2222E-05 6.1259E-05 4.7195E-05 3.8535E-05 2.6627E-05 2.0476E-05 1.4120E-05 1.0837E-05 8.8287E-06 7.4618E-06 5.7214E-06 4.6546E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 3.1679E+03 7.3615E+05 1.6332E+04 1.2133E+03 7.7296E+02 3.0904E+03 2.9707E+03 2.8558E+03 3.9522E+03 3.4047E+03 3.1482E+03 3.6013E+03 1.4134E+03 6.7079E+02 3.7091E+02 2.2688E+02 1.0330E+02 5.5643E+01 1.7805E+01 1.7150E+01 1.1957E+02 5.8884E+01 1.9511E+01 8.6949E+00 4.5919E+00 2.7057E+00 1.1626E+00 5.9976E-01 1.7897E-01 7.6168E-02 3.9598E-02 2.3442E-02 1.5202E-02 1.0541E-02 7.6934E-03 5.8497E-03 4.5973E-03 3.7077E-03 3.0532E-03 2.1892E-03 1.9010E-03 1.6743E-03 1.3267E-03 1.1837E-03 1.1260E-03 7.6027E-04 7.0810E-04 6.1882E-04 5.4642E-04 4.8747E-04 3.9827E-04 3.3469E-04 3.2313E-04 2.8740E-04 2.2208E-04 1.7968E-04 1.2007E-04 8.9344E-05 7.0884E-05 5.8581E-05 4.9865E-05 4.3369E-05 3.8345E-05 3.4357E-05 3.1108E-05 2.8417E-05 2.6148E-05 2.4210E-05 2.2540E-05 1.9807E-05 1.7657E-05 1.5931E-05 1.4508E-05 1.3317E-05 1.2310E-05 1.1443E-05 8.4553E-06 6.7072E-06 5.5565E-06 4.1368E-06 3.2948E-06 2.1836E-06 1.6326E-06 1.0851E-06 8.1241E-07 6.4951E-07 5.4093E-07 4.0536E-07 3.2419E-07 2.1596E-07 1.6192E-07 1.0795E-07 8.0960E-08 6.4739E-08 5.3945E-08 4.0459E-08 3.2363E-08 2.1575E-08 1.6178E-08 1.0788E-08 8.0889E-09 6.4718E-09 5.3931E-09 4.0445E-09 3.2356E-09 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.0851E-04 1.7006E-04 3.2849E-04 5.2698E-04 7.5927E-04 1.3023E-03 1.9109E-03 2.0490E-03 2.5469E-03 3.8480E-03 5.1281E-03 8.0678E-03 1.0647E-02 1.2908E-02 1.4924E-02 1.6734E-02 1.8383E-02 1.9884E-02 2.1258E-02 2.2512E-02 2.3668E-02 2.4739E-02 2.5732E-02 2.6669E-02 2.8375E-02 2.9911E-02 3.1299E-02 3.2560E-02 3.3716E-02 3.4772E-02 3.5745E-02 3.9712E-02 4.2657E-02 4.4954E-02 4.8350E-02 5.0760E-02 5.4593E-02 5.6883E-02 5.9554E-02 6.1090E-02 6.2097E-02 6.2823E-02 6.3781E-02 6.4408E-02 6.5310E-02 6.5803E-02 6.6332E-02 6.6621E-02 6.6797E-02 6.6924E-02 6.7086E-02 6.7192E-02 6.7339E-02 6.7410E-02 6.7494E-02 6.7537E-02 6.7565E-02 6.7579E-02 6.7607E-02 6.7621E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.0058E-07 2.9839E-06 1.0513E-05 4.2911E-05 8.5469E-05 1.3113E-04 1.7672E-04 2.2082E-04 2.6303E-04 3.0319E-04 3.4124E-04 3.7711E-04 4.1093E-04 4.4313E-04 4.7364E-04 5.0260E-04 5.5636E-04 6.0533E-04 6.5021E-04 6.9150E-04 7.2997E-04 7.6520E-04 7.9832E-04 9.3502E-04 1.0386E-03 1.1217E-03 1.2465E-03 1.3381E-03 1.4895E-03 1.5854E-03 1.7030E-03 1.7735E-03 1.8221E-03 1.8581E-03 1.9074E-03 1.9405E-03 1.9898E-03 2.0180E-03 2.0490E-03 2.0673E-03 2.0786E-03 2.0863E-03 2.0969E-03 2.1033E-03 2.1124E-03 2.1181E-03 2.1230E-03 2.1265E-03 2.1279E-03 2.1293E-03 2.1307E-03 2.1314E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Pr.mat0000644000276300001750000002100213136054446020333 0ustar solebliss00000000000000Pr 1 59 1.000000 8 4 3 3 6 3 3 8 82 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.2422E-03 1.2422E-03 1.2889E-03 1.3374E-03 1.3374E-03 1.5000E-03 1.5110E-03 1.5110E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 5.9643E-03 5.9643E-03 6.0000E-03 6.4404E-03 6.4404E-03 6.6347E-03 6.8348E-03 6.8348E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 4.1991E-02 4.1991E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 9.2827E+00 2.0055E+01 1.0244E+01 9.0349E+00 9.0349E+00 8.9914E+00 8.9451E+00 8.9451E+00 8.7699E+00 8.7571E+00 8.7571E+00 8.2485E+00 7.2441E+00 6.3381E+00 5.5688E+00 4.9491E+00 4.9491E+00 4.9277E+00 4.6798E+00 4.6798E+00 4.5752E+00 4.4704E+00 4.4704E+00 3.9315E+00 3.2024E+00 2.0942E+00 1.5044E+00 8.7400E-01 5.6885E-01 5.2824E-01 5.2824E-01 4.0413E-01 3.0336E-01 1.8835E-01 1.2787E-01 6.2269E-02 3.6964E-02 2.4445E-02 1.7343E-02 1.2936E-02 1.0014E-02 7.9775E-03 6.5048E-03 5.4064E-03 4.5644E-03 3.9042E-03 2.9497E-03 2.5985E-03 2.3064E-03 1.8525E-03 1.6741E-03 1.6035E-03 1.0766E-03 9.9594E-04 8.5948E-04 7.4920E-04 6.5888E-04 5.2122E-04 4.2268E-04 4.0477E-04 3.4965E-04 2.5055E-04 1.8826E-04 1.0599E-04 6.7868E-05 4.7140E-05 3.4626E-05 2.6515E-05 2.0950E-05 1.6971E-05 1.4027E-05 1.1787E-05 1.0043E-05 8.6588E-06 7.5433E-06 6.6287E-06 5.2397E-06 4.2430E-06 3.5067E-06 2.9468E-06 2.5109E-06 2.1647E-06 1.8860E-06 1.0608E-06 6.7868E-07 4.7140E-07 2.6519E-07 1.6971E-07 7.5433E-08 4.2430E-08 1.8860E-08 1.0608E-08 6.7911E-09 4.7140E-09 2.6519E-09 1.6971E-09 7.5433E-10 4.2430E-10 1.8860E-10 1.0608E-10 6.7911E-11 4.7140E-11 2.6519E-11 1.6971E-11 7.5433E-12 4.2430E-12 1.8860E-12 1.0608E-12 6.7911E-13 4.7140E-13 2.6519E-13 1.6971E-13 INCOHERENT SCATTERING CROSS SECTION 6.5347E-03 1.2737E+03 4.0470E-03 8.5305E-03 8.5305E-03 8.8818E-03 9.2485E-03 9.2485E-03 1.0552E-02 1.0638E-02 1.0638E-02 1.4471E-02 2.2027E-02 2.9002E-02 3.5293E-02 4.0644E-02 4.0644E-02 4.0832E-02 4.3080E-02 4.3080E-02 4.4039E-02 4.5003E-02 4.5003E-02 5.0175E-02 5.8038E-02 7.3595E-02 8.4493E-02 9.7358E-02 1.0411E-01 1.0501E-01 1.0501E-01 1.0774E-01 1.0962E-01 1.1039E-01 1.0911E-01 1.0313E-01 9.6802E-02 9.1140E-02 8.6203E-02 8.1900E-02 7.8125E-02 7.4785E-02 7.1800E-02 6.9111E-02 6.6672E-02 6.4447E-02 6.0537E-02 5.8808E-02 5.7205E-02 5.4312E-02 5.2995E-02 5.2440E-02 4.7482E-02 4.6547E-02 4.4803E-02 4.3208E-02 4.1742E-02 3.9136E-02 3.6892E-02 3.6439E-02 3.4935E-02 3.1674E-02 2.9049E-02 2.4241E-02 2.0937E-02 1.8506E-02 1.6634E-02 1.5142E-02 1.3920E-02 1.2898E-02 1.2031E-02 1.1283E-02 1.0629E-02 1.0056E-02 9.5477E-03 9.0904E-03 8.3083E-03 7.6630E-03 7.1159E-03 6.6501E-03 6.2440E-03 5.8893E-03 5.5773E-03 4.4319E-03 3.7003E-03 3.1883E-03 2.5143E-03 2.0869E-03 1.4860E-03 1.1655E-03 8.2570E-04 6.4663E-04 5.3551E-04 4.5858E-04 3.5806E-04 2.9459E-04 2.0574E-04 1.5924E-04 1.1069E-04 8.5476E-05 6.9877E-05 5.9235E-05 4.5644E-05 3.7268E-05 2.5758E-05 1.9801E-05 1.3655E-05 1.0484E-05 8.5391E-06 7.2185E-06 5.5346E-06 4.5003E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 1.0573E+04 2.7224E+06 5.6228E+04 6.2697E+03 7.2142E+03 6.6522E+03 6.1329E+03 6.5048E+03 5.0816E+03 5.0004E+03 5.2269E+03 2.7596E+03 1.0394E+03 5.0687E+02 2.8686E+02 1.8181E+02 5.1200E+02 5.0944E+02 4.2627E+02 5.8081E+02 5.3980E+02 5.0132E+02 5.7910E+02 3.9101E+02 2.1762E+02 7.3809E+01 3.3673E+01 1.0950E+01 4.8850E+00 4.2584E+00 2.4545E+01 1.5475E+01 9.5648E+00 4.3636E+00 2.3510E+00 7.5262E-01 3.3490E-01 1.7984E-01 1.0911E-01 7.2114E-02 5.0773E-02 3.7524E-02 2.8814E-02 2.2819E-02 1.8531E-02 1.5367E-02 1.1110E-02 9.6417E-03 8.4613E-03 6.6993E-03 6.0304E-03 5.7697E-03 3.8905E-03 3.6140E-03 3.1517E-03 2.7814E-03 2.4790E-03 2.0190E-03 1.6899E-03 1.6300E-03 1.4454E-03 1.1096E-03 8.9280E-04 5.8979E-04 4.3507E-04 3.4280E-04 2.8190E-04 2.3895E-04 2.0711E-04 1.8258E-04 1.6317E-04 1.4745E-04 1.3445E-04 1.2351E-04 1.1424E-04 1.0620E-04 9.3126E-05 8.2912E-05 7.4664E-05 6.7911E-05 6.2312E-05 5.7526E-05 5.3423E-05 3.9379E-05 3.1173E-05 2.5797E-05 1.9177E-05 1.5258E-05 1.0099E-05 7.5476E-06 5.0132E-06 3.7528E-06 2.9989E-06 2.4976E-06 1.8715E-06 1.4963E-06 9.9665E-07 7.4749E-07 4.9790E-07 3.7345E-07 2.9874E-07 2.4891E-07 1.8668E-07 1.4933E-07 9.9537E-08 7.4664E-08 4.9790E-08 3.7328E-08 2.9861E-08 2.4882E-08 1.8664E-08 1.4928E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 2.2673E-04 3.5202E-04 6.6683E-04 1.0475E-03 1.4756E-03 2.4235E-03 3.4387E-03 3.6665E-03 4.4747E-03 6.5070E-03 8.4365E-03 1.2766E-02 1.6480E-02 1.9677E-02 2.2510E-02 2.5053E-02 2.7365E-02 2.9489E-02 3.1447E-02 3.3259E-02 3.4951E-02 3.6515E-02 3.7969E-02 3.9315E-02 4.1755E-02 4.3935E-02 4.5944E-02 4.7739E-02 4.9363E-02 5.0858E-02 5.2269E-02 5.7910E-02 6.2099E-02 6.5347E-02 7.0176E-02 7.3552E-02 7.8980E-02 8.2228E-02 8.6032E-02 8.8212E-02 8.9622E-02 9.0648E-02 9.2015E-02 9.2913E-02 9.4195E-02 9.4879E-02 9.5648E-02 9.6075E-02 9.6332E-02 9.6503E-02 9.6716E-02 9.6887E-02 9.7058E-02 9.7187E-02 9.7315E-02 9.7358E-02 9.7400E-02 9.7443E-02 9.7443E-02 9.7486E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.7353E-08 2.8855E-06 1.0159E-05 4.1418E-05 8.2442E-05 1.2642E-04 1.7023E-04 2.1262E-04 2.5310E-04 2.9156E-04 3.2793E-04 3.6216E-04 3.9439E-04 4.2507E-04 4.5388E-04 4.8166E-04 5.3252E-04 5.7910E-04 6.2141E-04 6.6030E-04 6.9620E-04 7.2911E-04 7.6031E-04 8.8767E-04 9.8426E-04 1.0608E-03 1.1757E-03 1.2591E-03 1.3971E-03 1.4834E-03 1.5894E-03 1.6531E-03 1.6967E-03 1.7288E-03 1.7728E-03 1.8023E-03 1.8467E-03 1.8719E-03 1.8997E-03 1.9160E-03 1.9258E-03 1.9330E-03 1.9424E-03 1.9484E-03 1.9566E-03 1.9613E-03 1.9660E-03 1.9689E-03 1.9707E-03 1.9715E-03 1.9728E-03 1.9736E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/V.mat0000644000276300001750000001666213136054446020177 0ustar solebliss00000000000000Vanadium 1 23 1.000000 2 9 89 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 5.4651E-03 5.4651E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 2.5000E-01 3.0000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 3.8219E+00 3.7370E+01 4.5411E+00 3.5240E+00 3.2297E+00 2.7060E+00 2.2698E+00 1.9116E+00 1.7697E+00 1.7697E+00 1.6243E+00 1.2176E+00 9.6063E-01 6.0882E-01 4.1896E-01 2.2780E-01 1.4387E-01 9.9929E-02 7.3720E-02 4.4840E-02 3.0015E-02 1.4139E-02 8.1794E-03 5.3222E-03 5.3222E-03 3.7345E-03 2.1244E-03 1.6843E-03 1.3678E-03 1.1324E-03 9.5271E-04 8.1260E-04 6.1132E-04 5.3765E-04 4.7655E-04 3.8186E-04 3.4472E-04 3.3006E-04 2.2083E-04 2.0420E-04 1.7611E-04 1.5345E-04 1.3488E-04 1.0660E-04 8.6357E-05 8.2681E-05 7.1379E-05 5.1114E-05 3.8397E-05 2.1598E-05 1.3820E-05 9.6016E-06 7.0540E-06 5.4013E-06 4.2676E-06 3.4567E-06 2.8573E-06 2.4010E-06 2.0451E-06 1.7638E-06 1.5368E-06 1.3500E-06 1.0669E-06 8.6416E-07 7.1415E-07 6.0007E-07 5.1141E-07 4.4095E-07 3.8409E-07 2.1598E-07 1.3831E-07 9.6016E-08 5.4013E-08 3.4567E-08 1.5356E-08 8.6405E-09 3.8409E-09 2.1598E-09 1.3831E-09 9.6016E-10 5.4001E-10 3.4567E-10 1.5356E-10 8.6405E-11 3.8409E-11 2.1598E-11 1.3831E-11 9.6016E-12 5.4001E-12 3.4567E-12 1.5356E-12 8.6405E-13 3.8409E-13 2.1598E-13 1.3831E-13 9.6016E-14 5.4001E-14 3.4567E-14 INCOHERENT SCATTERING CROSS SECTION 1.0713E-02 5.0052E-02 4.8077E-03 1.7969E-02 2.4341E-02 3.5950E-02 4.6530E-02 5.5964E-02 5.9983E-02 5.9983E-02 6.4334E-02 7.8141E-02 8.8627E-02 1.0580E-01 1.1640E-01 1.2767E-01 1.3193E-01 1.3311E-01 1.3288E-01 1.3039E-01 1.2673E-01 1.1693E-01 1.0833E-01 1.0114E-01 1.0114E-01 9.5094E-02 8.5542E-02 8.1689E-02 7.8283E-02 7.5240E-02 7.2502E-02 7.0024E-02 6.5691E-02 6.3778E-02 6.2004E-02 5.8818E-02 5.7382E-02 5.6779E-02 5.1330E-02 5.0304E-02 4.8401E-02 4.6672E-02 4.5090E-02 4.2280E-02 3.9839E-02 3.9343E-02 3.7703E-02 3.4179E-02 3.1351E-02 2.6150E-02 2.2591E-02 1.9967E-02 1.7945E-02 1.6326E-02 1.5014E-02 1.3914E-02 1.2968E-02 1.2165E-02 1.1462E-02 1.0843E-02 1.0294E-02 9.8037E-03 8.9596E-03 8.2622E-03 7.6746E-03 7.1710E-03 6.7348E-03 6.3530E-03 6.0149E-03 4.7795E-03 3.9898E-03 3.4377E-03 2.7107E-03 2.2508E-03 1.6030E-03 1.2566E-03 8.9053E-04 6.9748E-04 5.7737E-04 4.9438E-04 3.8610E-04 3.1765E-04 2.2177E-04 1.7165E-04 1.1940E-04 9.2150E-05 7.5340E-05 6.3884E-05 4.9225E-05 4.0194E-05 2.7769E-05 2.1350E-05 1.4730E-05 1.1305E-05 9.2067E-06 7.7822E-06 5.9676E-06 4.8552E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 6.4913E+03 2.1405E+06 3.7186E+04 2.3383E+03 1.1027E+03 3.7156E+02 1.6893E+02 9.0944E+01 7.0930E+01 5.8517E+02 4.6707E+02 2.2036E+02 1.2070E+02 3.9106E+01 1.7141E+01 5.2086E+00 2.1965E+00 1.1144E+00 6.3719E-01 2.6185E-01 1.3098E-01 3.7108E-02 1.5285E-02 7.7721E-03 7.7721E-03 4.5265E-03 1.9896E-03 1.4408E-03 1.0889E-03 8.5177E-04 6.8412E-04 5.6118E-04 4.0053E-04 3.4791E-04 3.0697E-04 2.4342E-04 2.1634E-04 2.0522E-04 1.3890E-04 1.2957E-04 1.1341E-04 1.0024E-04 8.9549E-05 7.3441E-05 6.1957E-05 5.9865E-05 5.3386E-05 4.1506E-05 3.3763E-05 2.2804E-05 1.7094E-05 1.3642E-05 1.1322E-05 9.6701E-06 8.4336E-06 7.4748E-06 6.7088E-06 6.0858E-06 5.5668E-06 5.1294E-06 4.7547E-06 4.4308E-06 3.9000E-06 3.4815E-06 3.1446E-06 2.8668E-06 2.6339E-06 2.4353E-06 2.2650E-06 1.6787E-06 1.3323E-06 1.1049E-06 8.2350E-07 6.5634E-07 4.3527E-07 3.2569E-07 2.1657E-07 1.6219E-07 1.2968E-07 1.0800E-07 8.0955E-08 6.4735E-08 4.3137E-08 3.2344E-08 2.1563E-08 1.6160E-08 1.2933E-08 1.0775E-08 8.0813E-09 6.4653E-09 4.3102E-09 3.2320E-09 2.1551E-09 1.6160E-09 1.2933E-09 1.0773E-09 8.0801E-10 6.4641E-10 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 5.7950E-05 9.2225E-05 1.8289E-04 2.9968E-04 4.3914E-04 7.7304E-04 1.1590E-03 1.2484E-03 1.5706E-03 2.4053E-03 3.2250E-03 5.1696E-03 6.8897E-03 8.4241E-03 9.7883E-03 1.1015E-02 1.2129E-02 1.3134E-02 1.4044E-02 1.4883E-02 1.5664E-02 1.6385E-02 1.7059E-02 1.7685E-02 1.8844E-02 1.9872E-02 2.0806E-02 2.1657E-02 2.2438E-02 2.3147E-02 2.3809E-02 2.6504E-02 2.8526E-02 3.0098E-02 3.2439E-02 3.4129E-02 3.6848E-02 3.8503E-02 4.0454E-02 4.1600E-02 4.2345E-02 4.2889E-02 4.3610E-02 4.4083E-02 4.4769E-02 4.5135E-02 4.5549E-02 4.5762E-02 4.5904E-02 4.5998E-02 4.6116E-02 4.6199E-02 4.6305E-02 4.6365E-02 4.6436E-02 4.6459E-02 4.6483E-02 4.6495E-02 4.6518E-02 4.6530E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 1.0497E-07 3.1139E-06 1.0971E-05 4.4780E-05 8.9218E-05 1.3701E-04 1.8465E-04 2.3088E-04 2.7521E-04 3.1729E-04 3.5725E-04 3.9496E-04 4.3055E-04 4.6447E-04 4.9663E-04 5.2725E-04 5.8399E-04 6.3589E-04 6.8353E-04 7.2751E-04 7.6805E-04 8.0588E-04 8.4123E-04 9.8841E-04 1.1015E-03 1.1928E-03 1.3311E-03 1.4328E-03 1.6054E-03 1.7165E-03 1.8536E-03 1.9376E-03 1.9967E-03 2.0392E-03 2.0995E-03 2.1409E-03 2.2024E-03 2.2367E-03 2.2757E-03 2.2993E-03 2.3135E-03 2.3230E-03 2.3360E-03 2.3442E-03 2.3561E-03 2.3632E-03 2.3702E-03 2.3738E-03 2.3762E-03 2.3773E-03 2.3797E-03 2.3809E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Ce.mat0000644000276300001750000002112613136054446020310 0ustar solebliss00000000000000Ce 1 58 1.000000 8 4 3 3 7 3 3 8 82 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.1854E-03 1.1854E-03 1.2283E-03 1.2728E-03 1.2728E-03 1.3522E-03 1.4366E-03 1.4366E-03 1.5000E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 5.7234E-03 5.7234E-03 6.0000E-03 6.1642E-03 6.1642E-03 6.3536E-03 6.5488E-03 6.5488E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 4.0443E-02 4.0443E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 8.9871E+00 1.4231E+01 9.8802E+00 8.7894E+00 8.7894E+00 8.7478E+00 8.7034E+00 8.7034E+00 8.6172E+00 8.5229E+00 8.5229E+00 8.4542E+00 7.9212E+00 6.9198E+00 6.0473E+00 5.3123E+00 4.8653E+00 4.8653E+00 4.7063E+00 4.6160E+00 4.6160E+00 4.5149E+00 4.4140E+00 4.4140E+00 3.7625E+00 3.0709E+00 2.0153E+00 1.4493E+00 8.4026E-01 5.4670E-01 5.3768E-01 5.3768E-01 3.8888E-01 2.9183E-01 1.8090E-01 1.2279E-01 5.9785E-02 3.5480E-02 2.3455E-02 1.6633E-02 1.2400E-02 9.5974E-03 7.6483E-03 6.2364E-03 5.1803E-03 4.3711E-03 3.7383E-03 2.8251E-03 2.4890E-03 2.2091E-03 1.7740E-03 1.6032E-03 1.5357E-03 1.0307E-03 9.5355E-04 8.2320E-04 7.1776E-04 6.3125E-04 4.9918E-04 4.0470E-04 3.8755E-04 3.3477E-04 2.3989E-04 1.8026E-04 1.0148E-04 6.4943E-05 4.5129E-05 3.3150E-05 2.5384E-05 2.0054E-05 1.6246E-05 1.3427E-05 1.1282E-05 9.6146E-06 8.2908E-06 7.2206E-06 6.3481E-06 5.0158E-06 4.0620E-06 3.3572E-06 2.8208E-06 2.4034E-06 2.0725E-06 1.8052E-06 1.0156E-06 6.4986E-07 4.5129E-07 2.5388E-07 1.6246E-07 7.2206E-08 4.0620E-08 1.8052E-08 1.0156E-08 6.4986E-09 4.5129E-09 2.5388E-09 1.6246E-09 7.2206E-10 4.0620E-10 1.8052E-10 1.0156E-10 6.4986E-11 4.5129E-11 2.5388E-11 1.6246E-11 7.2206E-12 4.0620E-12 1.8052E-12 1.0156E-12 6.4986E-13 4.5129E-13 2.5388E-13 1.6246E-13 INCOHERENT SCATTERING CROSS SECTION 6.7307E-03 4.9335E+06 5.1382E-03 8.3338E-03 8.3338E-03 8.6725E-03 9.0215E-03 9.0215E-03 9.6732E-03 1.0380E-02 1.0380E-02 1.0900E-02 1.4884E-02 2.2517E-02 2.9557E-02 3.5905E-02 3.9989E-02 3.9989E-02 4.1458E-02 4.2305E-02 4.2305E-02 4.3262E-02 4.4226E-02 4.4226E-02 5.0716E-02 5.8453E-02 7.3754E-02 8.4327E-02 9.6791E-02 1.0332E-01 1.0354E-01 1.0354E-01 1.0689E-01 1.0870E-01 1.0938E-01 1.0809E-01 1.0208E-01 9.5802E-02 9.0186E-02 8.5272E-02 8.0981E-02 7.7235E-02 7.3944E-02 7.1003E-02 6.8341E-02 6.5931E-02 6.3745E-02 5.9885E-02 5.8152E-02 5.6529E-02 5.3645E-02 5.2393E-02 5.1877E-02 4.6934E-02 4.5995E-02 4.4266E-02 4.2696E-02 4.1254E-02 3.8687E-02 3.6473E-02 3.6026E-02 3.4541E-02 3.1316E-02 2.8719E-02 2.3966E-02 2.0699E-02 1.8297E-02 1.6448E-02 1.4970E-02 1.3762E-02 1.2752E-02 1.1893E-02 1.1153E-02 1.0509E-02 9.9413E-03 9.4384E-03 8.9871E-03 8.2135E-03 7.5731E-03 7.0358E-03 6.5759E-03 6.1719E-03 5.8238E-03 5.5143E-03 4.3840E-03 3.6580E-03 3.1517E-03 2.4860E-03 2.0630E-03 1.4691E-03 1.1519E-03 8.1662E-04 6.3954E-04 5.2951E-04 4.5344E-04 3.5398E-04 2.9123E-04 2.0338E-04 1.5739E-04 1.0943E-04 8.4499E-05 6.9069E-05 5.8582E-05 4.5129E-05 3.6847E-05 2.5466E-05 1.9577E-05 1.3500E-05 1.0367E-05 8.4413E-06 7.1347E-06 5.4713E-06 4.4527E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 9.7006E+03 1.9618E+06 4.7969E+04 6.5544E+03 7.5344E+03 6.9757E+03 6.4556E+03 6.8424E+03 6.0139E+03 5.2865E+03 5.5229E+03 5.0244E+03 2.5994E+03 9.7865E+02 4.7493E+02 2.6862E+02 1.8941E+02 5.4069E+02 4.8610E+02 4.5086E+02 6.1418E+02 5.6988E+02 5.2865E+02 6.1032E+02 3.6941E+02 2.0506E+02 6.9327E+01 3.1590E+01 1.0251E+01 4.5645E+00 4.4269E+00 2.5706E+01 1.4708E+01 9.0473E+00 4.1188E+00 2.2143E+00 7.0702E-01 3.1393E-01 1.6829E-01 1.0199E-01 6.7369E-02 4.7407E-02 3.5012E-02 2.6867E-02 2.1265E-02 1.7265E-02 1.4316E-02 1.0349E-02 8.9785E-03 7.8754E-03 6.2328E-03 5.6132E-03 5.3725E-03 3.6219E-03 3.3642E-03 2.9341E-03 2.5900E-03 2.3089E-03 1.8808E-03 1.5739E-03 1.5181E-03 1.3459E-03 1.0337E-03 8.3209E-04 5.4971E-04 4.0582E-04 3.1977E-04 2.6304E-04 2.2298E-04 1.9328E-04 1.7046E-04 1.5236E-04 1.3766E-04 1.2554E-04 1.1536E-04 1.0668E-04 9.9198E-05 8.6991E-05 7.7407E-05 6.9756E-05 6.3438E-05 5.8195E-05 5.3725E-05 4.9900E-05 3.6795E-05 2.9128E-05 2.4103E-05 1.7918E-05 1.4261E-05 9.4384E-06 7.0530E-06 4.6848E-06 3.5076E-06 2.8032E-06 2.3342E-06 1.7493E-06 1.3986E-06 9.3181E-07 6.9842E-07 4.6547E-07 3.4904E-07 2.7920E-07 2.3265E-07 1.7450E-07 1.3956E-07 9.3052E-08 6.9799E-08 4.6504E-08 3.4887E-08 2.7911E-08 2.3256E-08 1.7446E-08 1.3956E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 2.1765E-04 3.3786E-04 6.3999E-04 1.0057E-03 1.4178E-03 2.3330E-03 3.3155E-03 3.5360E-03 4.3192E-03 6.2948E-03 8.1748E-03 1.2391E-02 1.6014E-02 1.9135E-02 2.1903E-02 2.4387E-02 2.6643E-02 2.8715E-02 3.0623E-02 3.2394E-02 3.4044E-02 3.5570E-02 3.6989E-02 3.8299E-02 4.0676E-02 4.2808E-02 4.4742E-02 4.6504E-02 4.8095E-02 4.9556E-02 5.0931E-02 5.6433E-02 6.0516E-02 6.3696E-02 6.8381E-02 7.1691E-02 7.7020E-02 8.0158E-02 8.3854E-02 8.6003E-02 8.7378E-02 8.8410E-02 8.9742E-02 9.0602E-02 9.1848E-02 9.2536E-02 9.3267E-02 9.3653E-02 9.3911E-02 9.4083E-02 9.4298E-02 9.4470E-02 9.4642E-02 9.4771E-02 9.4857E-02 9.4943E-02 9.4986E-02 9.4986E-02 9.5029E-02 9.5029E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.6133E-08 2.8506E-06 1.0040E-05 4.0951E-05 8.1490E-05 1.2503E-04 1.6831E-04 2.1021E-04 2.5027E-04 2.8831E-04 3.2428E-04 3.5815E-04 3.9004E-04 4.2039E-04 4.4914E-04 4.7622E-04 5.2693E-04 5.7249E-04 6.1461E-04 6.5287E-04 6.8854E-04 7.2120E-04 7.5172E-04 8.7851E-04 9.7393E-04 1.0500E-03 1.1639E-03 1.2468E-03 1.3840E-03 1.4699E-03 1.5756E-03 1.6393E-03 1.6827E-03 1.7145E-03 1.7592E-03 1.7888E-03 1.8331E-03 1.8585E-03 1.8864E-03 1.9027E-03 1.9126E-03 1.9199E-03 1.9294E-03 1.9354E-03 1.9436E-03 1.9483E-03 1.9530E-03 1.9560E-03 1.9577E-03 1.9586E-03 1.9599E-03 1.9612E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Cu.mat0000644000276300001750000001712413136054446020333 0ustar solebliss00000000000000Copper 1 29 1.000000 3 4 9 87 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.0961E-03 1.0961E-03 1.5000E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 8.9789E-03 8.9789E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 2.5000E-01 3.0000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 5.0540E+00 1.5015E+02 5.8910E+00 5.0085E+00 5.0085E+00 4.8057E+00 4.5252E+00 3.9461E+00 3.3993E+00 2.9141E+00 2.5000E+00 1.8717E+00 1.6461E+00 1.6461E+00 1.4500E+00 8.7973E-01 6.0595E-01 3.3690E-01 2.1238E-01 1.4670E-01 1.0794E-01 6.5949E-02 4.4456E-02 2.1114E-02 1.2263E-02 7.9966E-03 7.9966E-03 5.6207E-03 3.2070E-03 2.5447E-03 2.0678E-03 1.7132E-03 1.4424E-03 1.2310E-03 9.2675E-04 8.1520E-04 7.2258E-04 5.7905E-04 5.2284E-04 5.0066E-04 3.3510E-04 3.0988E-04 2.6730E-04 2.3294E-04 2.0481E-04 1.6191E-04 1.3116E-04 1.2557E-04 1.0839E-04 7.7610E-05 5.8301E-05 3.2799E-05 2.1001E-05 1.4585E-05 1.0709E-05 8.2022E-06 6.4812E-06 5.2492E-06 4.3385E-06 3.6457E-06 3.1065E-06 2.6781E-06 2.3332E-06 2.0508E-06 1.6205E-06 1.3125E-06 1.0851E-06 9.1139E-07 7.7662E-07 6.6963E-07 5.8330E-07 3.2809E-07 2.1001E-07 1.4585E-07 8.2022E-08 5.2492E-08 2.3332E-08 1.3125E-08 5.8330E-09 3.2809E-09 2.1001E-09 1.4585E-09 8.2022E-10 5.2492E-10 2.3332E-10 1.3125E-10 5.8330E-11 3.2809E-11 2.1001E-11 1.4585E-11 8.2022E-12 5.2492E-12 2.3332E-12 1.3125E-12 5.8330E-13 3.2809E-13 2.1001E-13 1.4585E-13 8.2022E-14 5.2492E-14 INCOHERENT SCATTERING CROSS SECTION 5.9145E-03 1.0335E+02 2.8316E-03 6.8385E-03 6.8385E-03 1.0860E-02 1.5912E-02 2.5872E-02 3.5273E-02 4.3906E-02 5.1810E-02 6.5693E-02 7.1616E-02 7.1616E-02 7.7255E-02 9.7611E-02 1.0984E-01 1.2310E-01 1.2888E-01 1.3106E-01 1.3135E-01 1.2945E-01 1.2623E-01 1.1713E-01 1.0879E-01 1.0177E-01 1.0177E-01 9.5811E-02 8.6258E-02 8.2399E-02 7.8989E-02 7.5939E-02 7.3189E-02 7.0696E-02 6.6335E-02 6.4414E-02 6.2636E-02 5.9429E-02 5.7970E-02 5.7354E-02 5.1867E-02 5.0834E-02 4.8911E-02 4.7157E-02 4.5549E-02 4.2702E-02 4.0258E-02 3.9765E-02 3.8126E-02 3.4556E-02 3.1681E-02 2.6431E-02 2.2830E-02 2.0176E-02 1.8139E-02 1.6509E-02 1.5172E-02 1.4054E-02 1.3116E-02 1.2301E-02 1.1581E-02 1.0965E-02 1.0406E-02 9.9127E-03 9.0570E-03 8.3519E-03 7.7568E-03 7.2488E-03 6.8072E-03 6.4205E-03 6.0803E-03 4.8313E-03 4.0333E-03 3.4751E-03 2.7407E-03 2.2744E-03 1.6196E-03 1.2699E-03 9.0020E-04 7.0498E-04 5.8358E-04 4.9971E-04 3.9026E-04 3.2107E-04 2.2422E-04 1.7352E-04 1.2064E-04 9.3138E-05 7.6156E-05 6.4575E-05 4.9753E-05 4.0618E-05 2.8070E-05 2.1579E-05 1.4888E-05 1.1429E-05 9.3053E-06 7.8658E-06 6.0310E-06 4.9071E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 1.0567E+04 5.4518E+06 6.9258E+04 8.2401E+03 9.3403E+03 4.4134E+03 2.1493E+03 7.4488E+02 3.4391E+02 1.8698E+02 1.1306E+02 5.0616E+01 3.6571E+01 2.7663E+02 2.1446E+02 7.3076E+01 3.3084E+01 1.0453E+01 4.5204E+00 2.3351E+00 1.3533E+00 5.6757E-01 2.8781E-01 8.3453E-02 3.4875E-02 1.7913E-02 1.7913E-02 1.0510E-02 4.6635E-03 3.3886E-03 2.5682E-03 2.0137E-03 1.6205E-03 1.3315E-03 9.5180E-04 8.2647E-04 7.2854E-04 5.7756E-04 5.1431E-04 4.8853E-04 3.3027E-04 3.0786E-04 2.6930E-04 2.3796E-04 2.1248E-04 1.7396E-04 1.4642E-04 1.4139E-04 1.2588E-04 9.7595E-05 7.9217E-05 5.3241E-05 3.9784E-05 3.1653E-05 2.6222E-05 2.2365E-05 1.9475E-05 1.7248E-05 1.5466E-05 1.4016E-05 1.2813E-05 1.1799E-05 1.0936E-05 1.0188E-05 8.9565E-06 7.9918E-06 7.2138E-06 6.5731E-06 6.0377E-06 5.5818E-06 5.1905E-06 3.8410E-06 3.0477E-06 2.5265E-06 1.8821E-06 1.4992E-06 9.9412E-07 7.4365E-07 4.9441E-07 3.7026E-07 2.9596E-07 2.4649E-07 1.8480E-07 1.4774E-07 9.8464E-08 7.3805E-08 4.9194E-08 3.6893E-08 2.9511E-08 2.4592E-08 1.8442E-08 1.4755E-08 9.8369E-09 7.3758E-09 4.9166E-09 3.6874E-09 2.9501E-09 2.4583E-09 1.8442E-09 1.4746E-09 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 8.0202E-05 1.2669E-04 2.4805E-04 4.0239E-04 5.8509E-04 1.0180E-03 1.5106E-03 1.6234E-03 2.0311E-03 3.1006E-03 4.1584E-03 6.6177E-03 8.7869E-03 1.0718E-02 1.2434E-02 1.3969E-02 1.5362E-02 1.6632E-02 1.7769E-02 1.8821E-02 1.9797E-02 2.0707E-02 2.1550E-02 2.2337E-02 2.3787E-02 2.5076E-02 2.6251E-02 2.7312E-02 2.8288E-02 2.9179E-02 3.0004E-02 3.3368E-02 3.5889E-02 3.7860E-02 4.0788E-02 4.2883E-02 4.6209E-02 4.8209E-02 5.0530E-02 5.1867E-02 5.2748E-02 5.3373E-02 5.4207E-02 5.4757E-02 5.5534E-02 5.5961E-02 5.6425E-02 5.6671E-02 5.6823E-02 5.6937E-02 5.7079E-02 5.7164E-02 5.7287E-02 5.7354E-02 5.7429E-02 5.7467E-02 5.7486E-02 5.7496E-02 5.7524E-02 5.7534E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 1.0607E-07 3.1469E-06 1.1088E-05 4.5261E-05 9.0143E-05 1.3836E-04 1.8650E-04 2.3313E-04 2.7777E-04 3.2022E-04 3.6050E-04 3.9850E-04 4.3432E-04 4.6844E-04 5.0085E-04 5.3165E-04 5.8870E-04 6.4082E-04 6.8859E-04 7.3265E-04 7.7340E-04 8.1122E-04 8.4647E-04 9.9317E-04 1.1059E-03 1.1950E-03 1.3315E-03 1.4310E-03 1.5968E-03 1.7020E-03 1.8309E-03 1.9077E-03 1.9608E-03 1.9996E-03 2.0527E-03 2.0887E-03 2.1408E-03 2.1711E-03 2.2034E-03 2.2233E-03 2.2346E-03 2.2432E-03 2.2536E-03 2.2612E-03 2.2706E-03 2.2754E-03 2.2811E-03 2.2839E-03 2.2868E-03 2.2877E-03 2.2887E-03 2.2905E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Ru.mat0000644000276300001750000001571413136054446020355 0ustar solebliss00000000000000Ruthenium 1 44 1.000000 5 6 3 3 9 70 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 2.8379E-03 2.8379E-03 2.9017E-03 2.9669E-03 2.9669E-03 3.0000E-03 3.2240E-03 3.2240E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 2.2117E-02 2.2117E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 3.0000E-01 4.0000E-01 5.0000E-01 6.0000E-01 8.0000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.5000E+00 2.0000E+00 2.0440E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 7.2752E+00 4.5448E+01 8.2395E+00 6.8760E+00 6.4410E+00 5.7105E+00 5.7105E+00 5.6562E+00 5.6015E+00 5.6015E+00 5.5741E+00 5.3917E+00 5.3917E+00 4.8084E+00 4.1727E+00 3.6567E+00 2.8982E+00 2.3708E+00 1.5331E+00 1.0528E+00 9.1759E-01 9.1759E-01 5.9280E-01 3.8682E-01 2.7164E-01 2.0044E-01 1.2227E-01 8.2762E-02 4.0094E-02 2.3548E-02 1.0904E-02 6.2623E-03 4.0529E-03 2.8350E-03 1.6076E-03 1.0332E-03 9.8969E-04 6.6317E-04 4.6118E-04 2.5985E-04 2.4882E-04 1.1559E-04 6.5066E-05 4.1649E-05 2.8928E-05 2.1254E-05 1.6272E-05 1.2858E-05 1.0415E-05 8.6099E-06 7.2335E-06 6.1610E-06 5.3137E-06 4.6291E-06 4.0684E-06 3.2145E-06 2.6038E-06 2.1522E-06 1.8084E-06 1.5408E-06 1.3287E-06 1.1571E-06 6.5125E-07 4.1661E-07 2.8934E-07 1.6272E-07 1.0415E-07 4.6291E-08 2.6038E-08 1.1571E-08 6.5066E-09 4.1661E-09 2.8934E-09 1.6272E-09 1.0415E-09 4.6291E-10 2.6038E-10 1.1571E-10 6.5066E-11 4.1661E-11 2.8934E-11 1.6272E-11 1.0415E-11 4.6291E-12 2.6038E-12 1.1571E-12 6.5066E-13 4.1661E-13 2.8934E-13 1.6272E-13 1.0415E-13 INCOHERENT SCATTERING CROSS SECTION 5.7915E-03 6.0024E-03 2.2666E-03 1.0397E-02 1.4967E-02 2.2255E-02 2.2255E-02 2.2786E-02 2.3327E-02 2.3327E-02 2.3601E-02 2.5418E-02 2.5418E-02 3.1430E-02 3.8586E-02 4.5188E-02 5.6700E-02 6.5959E-02 8.2464E-02 9.3606E-02 9.7241E-02 9.7241E-02 1.0707E-01 1.1398E-01 1.1744E-01 1.1893E-01 1.1869E-01 1.1661E-01 1.0928E-01 1.0213E-01 9.0448E-02 8.1749E-02 7.5016E-02 6.9594E-02 6.1312E-02 5.5210E-02 5.4626E-02 4.9419E-02 4.4944E-02 3.8378E-02 3.7907E-02 3.0215E-02 2.5210E-02 2.1772E-02 1.9246E-02 1.7297E-02 1.5742E-02 1.4473E-02 1.3412E-02 1.2507E-02 1.1732E-02 1.1053E-02 1.0457E-02 9.9267E-03 9.4500E-03 8.6397E-03 7.9664E-03 7.4003E-03 6.9177E-03 6.4946E-03 6.1252E-03 5.7999E-03 4.6088E-03 3.8473E-03 3.3146E-03 2.6139E-03 2.1700E-03 1.5450E-03 1.2113E-03 8.5860E-04 6.7270E-04 5.5669E-04 4.7667E-04 3.7228E-04 3.0626E-04 2.1391E-04 1.6552E-04 1.1512E-04 8.8839E-05 7.2633E-05 6.1610E-05 4.7459E-05 3.8747E-05 2.6777E-05 2.0586E-05 1.4199E-05 1.0898E-05 8.8780E-06 7.5016E-06 5.7534E-06 4.6809E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 5.7105E+03 1.1791E+06 2.8414E+04 2.2338E+03 1.1130E+03 4.6475E+02 1.6380E+03 1.5397E+03 1.4467E+03 1.9692E+03 1.9573E+03 1.6320E+03 1.8685E+03 1.0898E+03 6.1252E+02 3.7943E+02 1.7553E+02 9.5572E+01 3.1085E+01 1.3847E+01 1.0415E+01 6.7747E+01 3.0698E+01 1.4014E+01 7.5314E+00 4.5027E+00 1.9740E+00 1.0326E+00 3.1532E-01 1.3615E-01 4.2698E-02 1.9412E-02 1.0850E-02 6.9058E-03 3.5560E-03 2.2177E-03 2.1099E-03 1.4235E-03 1.0213E-03 6.2325E-04 6.0180E-04 3.3272E-04 2.2141E-04 1.6427E-04 1.3001E-04 1.0725E-04 9.1163E-05 7.9187E-05 6.9951E-05 6.2623E-05 5.6658E-05 5.1725E-05 4.7572E-05 4.4032E-05 4.0976E-05 3.5977E-05 3.2056E-05 2.8904E-05 2.6312E-05 2.4149E-05 2.2314E-05 2.0735E-05 1.5313E-05 1.2137E-05 1.0046E-05 7.4778E-06 5.9530E-06 3.9433E-06 2.9482E-06 1.9591E-06 1.4670E-06 1.1726E-06 9.7658E-07 7.3169E-07 5.8505E-07 3.8980E-07 2.9226E-07 1.9478E-07 1.4604E-07 1.1684E-07 9.7360E-08 7.2990E-08 5.8404E-08 3.8932E-08 2.9202E-08 1.9466E-08 1.4598E-08 1.1678E-08 9.7300E-09 7.2990E-09 5.8398E-09 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.4372E-04 6.7806E-04 2.3845E-03 2.5532E-03 6.2503E-03 9.7300E-03 1.2757E-02 1.5379E-02 1.7726E-02 1.9835E-02 2.1748E-02 2.3506E-02 2.5115E-02 2.6598E-02 2.7963E-02 2.9220E-02 3.0388E-02 3.1478E-02 3.3480E-02 3.5268E-02 3.6894E-02 3.8372E-02 3.9725E-02 4.0958E-02 4.2096E-02 4.6714E-02 5.0134E-02 5.2803E-02 5.6736E-02 5.9536E-02 6.3993E-02 6.6674E-02 6.9773E-02 7.1560E-02 7.2692E-02 7.3586E-02 7.4659E-02 7.5433E-02 7.6446E-02 7.7042E-02 7.7638E-02 7.7995E-02 7.8174E-02 7.8353E-02 7.8531E-02 7.8651E-02 7.8829E-02 7.8889E-02 7.9008E-02 7.9068E-02 7.9068E-02 7.9127E-02 7.9127E-02 7.9127E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.0570E-05 4.3127E-05 8.5860E-05 1.3174E-04 1.7744E-04 2.2171E-04 2.6408E-04 3.0435E-04 3.4243E-04 3.7836E-04 4.1220E-04 4.4444E-04 4.7494E-04 5.0390E-04 5.5759E-04 6.0656E-04 6.5125E-04 6.9236E-04 7.3050E-04 7.6565E-04 7.9842E-04 9.3427E-04 1.0374E-03 1.1190E-03 1.2423E-03 1.3323E-03 1.4818E-03 1.5754E-03 1.6904E-03 1.7595E-03 1.8072E-03 1.8417E-03 1.8894E-03 1.9216E-03 1.9686E-03 1.9961E-03 2.0253E-03 2.0425E-03 2.0533E-03 2.0604E-03 2.0705E-03 2.0771E-03 2.0854E-03 2.0902E-03 2.0950E-03 2.0979E-03 2.0997E-03 2.1009E-03 2.1021E-03 2.1033E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Sc.mat0000644000276300001750000001666213136054446020337 0ustar solebliss00000000000000Sc 1 21 1.000000 2 8 90 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 3.0000E-03 4.0000E-03 4.4928E-03 4.4928E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 3.5525E+00 3.8505E+01 4.2945E+00 3.2444E+00 2.9524E+00 2.4554E+00 2.0495E+00 1.8767E+00 1.8767E+00 1.7200E+00 1.4628E+00 1.1074E+00 8.8371E-01 5.6222E-01 3.8204E-01 2.0629E-01 1.3042E-01 9.0622E-02 6.6751E-02 4.0415E-02 2.6965E-02 1.2658E-02 7.3140E-03 4.7530E-03 3.3315E-03 2.4622E-03 1.8928E-03 1.5000E-03 1.2177E-03 1.0080E-03 8.4808E-04 7.2333E-04 5.4402E-04 4.7836E-04 4.2388E-04 3.3959E-04 3.0663E-04 2.9363E-04 1.9638E-04 1.8159E-04 1.5664E-04 1.3650E-04 1.1999E-04 9.4808E-05 7.6797E-05 7.3529E-05 6.3480E-05 4.5457E-05 3.4146E-05 1.9209E-05 1.2295E-05 8.5370E-06 6.2732E-06 4.8023E-06 3.7950E-06 3.0730E-06 2.5398E-06 2.1339E-06 1.8191E-06 1.5686E-06 1.3664E-06 1.2007E-06 9.4868E-07 7.6837E-07 6.3509E-07 5.3368E-07 4.5465E-07 3.9209E-07 3.4159E-07 1.9209E-07 1.2295E-07 8.5384E-08 4.8023E-08 3.0730E-08 1.3664E-08 7.6837E-09 3.4146E-09 1.9209E-09 1.2295E-09 8.5370E-10 4.8023E-10 3.0730E-10 1.3664E-10 7.6837E-11 3.4146E-11 1.9209E-11 1.2295E-11 8.5370E-12 4.8023E-12 3.0730E-12 1.3664E-12 7.6837E-13 3.4146E-13 1.9209E-13 1.2295E-13 8.5370E-14 4.8023E-14 3.0730E-14 INCOHERENT SCATTERING CROSS SECTION 1.3010E-02 4.8348E-02 6.1685E-03 2.1031E-02 2.7957E-02 4.0616E-02 5.1989E-02 5.7092E-02 5.7092E-02 6.1982E-02 7.0689E-02 8.4580E-02 9.4801E-02 1.1191E-01 1.2273E-01 1.3385E-01 1.3784E-01 1.3891E-01 1.3851E-01 1.3570E-01 1.3172E-01 1.2135E-01 1.1232E-01 1.0480E-01 9.8498E-02 9.3163E-02 8.8572E-02 8.4567E-02 8.1030E-02 7.7877E-02 7.5042E-02 7.2477E-02 6.7992E-02 6.6014E-02 6.4180E-02 6.0879E-02 5.9383E-02 5.8753E-02 5.3114E-02 5.2054E-02 5.0085E-02 4.8291E-02 4.6648E-02 4.3734E-02 4.1218E-02 4.0709E-02 3.9021E-02 3.5366E-02 3.2431E-02 2.7059E-02 2.3362E-02 2.0656E-02 1.8566E-02 1.6892E-02 1.5526E-02 1.4387E-02 1.3422E-02 1.2587E-02 1.1858E-02 1.1219E-02 1.0651E-02 1.0143E-02 9.2698E-03 8.5491E-03 7.9409E-03 7.4199E-03 6.9671E-03 6.5719E-03 6.2236E-03 4.9457E-03 4.1285E-03 3.5565E-03 2.8050E-03 2.3282E-03 1.6584E-03 1.3000E-03 9.2135E-04 7.2162E-04 5.9731E-04 5.1145E-04 3.9946E-04 3.2860E-04 2.2947E-04 1.7763E-04 1.2351E-04 9.5337E-05 7.7949E-05 6.6094E-05 5.0930E-05 4.1580E-05 2.8734E-05 2.2089E-05 1.5231E-05 1.1697E-05 9.5243E-06 8.0508E-06 6.1741E-06 5.0220E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 5.2337E+03 1.8972E+06 3.0849E+04 1.8540E+03 8.6750E+02 2.8975E+02 1.3114E+02 9.4948E+01 8.1285E+02 6.2879E+02 3.9182E+02 1.8165E+02 9.8538E+01 3.1346E+01 1.3583E+01 4.0683E+00 1.7012E+00 8.5772E-01 4.8800E-01 1.9906E-01 9.9061E-02 2.7850E-02 1.1414E-02 5.7841E-03 3.3596E-03 2.1461E-03 1.4708E-03 1.0641E-03 8.0374E-04 6.2840E-04 5.0435E-04 4.1331E-04 2.9476E-04 2.5626E-04 2.2648E-04 1.7979E-04 1.5941E-04 1.5097E-04 1.0220E-04 9.5386E-05 8.3515E-05 7.3823E-05 6.5987E-05 5.4188E-05 4.5719E-05 4.4165E-05 3.9373E-05 3.0648E-05 2.4969E-05 1.6892E-05 1.2688E-05 1.0128E-05 8.4151E-06 7.1908E-06 6.2745E-06 5.5632E-06 4.9952E-06 4.5317E-06 4.1460E-06 3.8218E-06 3.5431E-06 3.3020E-06 2.9069E-06 2.5961E-06 2.3456E-06 2.1379E-06 1.9651E-06 1.8165E-06 1.6905E-06 1.2525E-06 9.9476E-07 8.2504E-07 6.1499E-07 4.9015E-07 3.2525E-07 2.4327E-07 1.6182E-07 1.2119E-07 9.6877E-08 8.0695E-08 6.0481E-08 4.8372E-08 3.2230E-08 2.4166E-08 1.6102E-08 1.2079E-08 9.6623E-09 8.0521E-09 6.0388E-09 4.8305E-09 3.2203E-09 2.4152E-09 1.6102E-09 1.2075E-09 9.6596E-10 8.0494E-10 6.0374E-10 4.8291E-10 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 5.3355E-05 8.5169E-05 1.6971E-04 2.7903E-04 4.0977E-04 7.2306E-04 1.0860E-03 1.1702E-03 1.4743E-03 2.2625E-03 3.0368E-03 4.8760E-03 6.5063E-03 7.9624E-03 9.2564E-03 1.0422E-02 1.1476E-02 1.2431E-02 1.3299E-02 1.4092E-02 1.4829E-02 1.5512E-02 1.6155E-02 1.6758E-02 1.7856E-02 1.8834E-02 1.9718E-02 2.0522E-02 2.1259E-02 2.1942E-02 2.2572E-02 2.5144E-02 2.7059E-02 2.8560E-02 3.0783E-02 3.2391E-02 3.4989E-02 3.6584E-02 3.8459E-02 3.9544E-02 4.0281E-02 4.0803E-02 4.1513E-02 4.1969E-02 4.2638E-02 4.3000E-02 4.3389E-02 4.3603E-02 4.3750E-02 4.3844E-02 4.3965E-02 4.4045E-02 4.4152E-02 4.4206E-02 4.4273E-02 4.4299E-02 4.4326E-02 4.4340E-02 4.4353E-02 4.4366E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.0859E-07 3.2215E-06 1.1350E-05 4.6336E-05 9.2323E-05 1.4173E-04 1.9116E-04 2.3898E-04 2.8479E-04 3.2846E-04 3.6972E-04 4.0884E-04 4.4567E-04 4.8090E-04 5.1413E-04 5.4587E-04 6.0481E-04 6.5866E-04 7.0809E-04 7.5364E-04 7.9584E-04 8.3508E-04 8.7166E-04 1.0246E-03 1.1422E-03 1.2367E-03 1.3811E-03 1.4883E-03 1.6691E-03 1.7856E-03 1.9303E-03 2.0201E-03 2.0830E-03 2.1286E-03 2.1942E-03 2.2371E-03 2.3041E-03 2.3429E-03 2.3844E-03 2.4099E-03 2.4246E-03 2.4367E-03 2.4514E-03 2.4608E-03 2.4728E-03 2.4809E-03 2.4876E-03 2.4929E-03 2.4956E-03 2.4969E-03 2.4983E-03 2.5010E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Tl.mat0000644000276300001750000002174213136054446020344 0ustar solebliss00000000000000Tl 1 81 1.000000 10 6 3 3 3 3 7 3 3 8 79 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 2.3893E-03 2.3893E-03 2.4367E-03 2.4851E-03 2.4851E-03 2.7106E-03 2.9566E-03 2.9566E-03 3.0000E-03 3.4157E-03 3.4157E-03 3.5570E-03 3.7041E-03 3.7041E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.2657E-02 1.2657E-02 1.3640E-02 1.4698E-02 1.4698E-02 1.5000E-02 1.5347E-02 1.5347E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 8.5530E-02 8.5530E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.2390E+01 4.1237E+01 1.3509E+01 1.1904E+01 1.1347E+01 1.0887E+01 1.0887E+01 1.0841E+01 1.0793E+01 1.0793E+01 1.0537E+01 1.0242E+01 1.0242E+01 1.0192E+01 9.7264E+00 9.7264E+00 9.5724E+00 9.4140E+00 9.4140E+00 9.1017E+00 8.1294E+00 7.2867E+00 5.9342E+00 4.9206E+00 3.9129E+00 3.9129E+00 3.6188E+00 3.3325E+00 3.3325E+00 3.2559E+00 3.1734E+00 3.1734E+00 2.2991E+00 1.3551E+00 9.0398E-01 6.4263E-01 4.8087E-01 3.0231E-01 2.7072E-01 2.7072E-01 2.0867E-01 1.0277E-01 6.1316E-02 4.0884E-02 2.9241E-02 2.1951E-02 1.7081E-02 1.3665E-02 1.1179E-02 9.3138E-03 7.8789E-03 6.7514E-03 5.1170E-03 4.5140E-03 4.0118E-03 3.2293E-03 2.9209E-03 2.7989E-03 1.8852E-03 1.7451E-03 1.5079E-03 1.3159E-03 1.1584E-03 9.1765E-04 7.4458E-04 7.1305E-04 6.1606E-04 4.4190E-04 3.3236E-04 1.8731E-04 1.1998E-04 8.3356E-05 6.1258E-05 4.6908E-05 3.7067E-05 3.0025E-05 2.4821E-05 2.0858E-05 1.7773E-05 1.5325E-05 1.3351E-05 1.1733E-05 9.2726E-06 7.5106E-06 6.2053E-06 5.2153E-06 4.4433E-06 3.8334E-06 3.3384E-06 1.8778E-06 1.2019E-06 8.3445E-07 4.6938E-07 3.0054E-07 1.3353E-07 7.5106E-08 3.3384E-08 1.8775E-08 1.2016E-08 8.3445E-09 4.6938E-09 3.0054E-09 1.3353E-09 7.5106E-10 3.3384E-10 1.8775E-10 1.2016E-10 8.3445E-11 4.6938E-11 3.0054E-11 1.3354E-11 7.5106E-12 3.3384E-12 1.8775E-12 1.2016E-12 8.3445E-13 4.6938E-13 3.0054E-13 INCOHERENT SCATTERING CROSS SECTION 3.6183E-03 7.0691E-03 1.4016E-03 6.5854E-03 9.5172E-03 1.1730E-02 1.1730E-02 1.1976E-02 1.2225E-02 1.2225E-02 1.3440E-02 1.4783E-02 1.4783E-02 1.5012E-02 1.7175E-02 1.7175E-02 1.7899E-02 1.8648E-02 1.8648E-02 2.0136E-02 2.4983E-02 2.9612E-02 3.8157E-02 4.5523E-02 5.3508E-02 5.3508E-02 5.6077E-02 5.8665E-02 5.8665E-02 5.9372E-02 6.0167E-02 6.0167E-02 6.9243E-02 8.2679E-02 9.0605E-02 9.5172E-02 9.7706E-02 9.9532E-02 9.9621E-02 9.9621E-02 9.9238E-02 9.5083E-02 8.9868E-02 8.4931E-02 8.0528E-02 7.6649E-02 7.3220E-02 7.0170E-02 6.7445E-02 6.4995E-02 6.2760E-02 6.0702E-02 5.7059E-02 5.5453E-02 5.3970E-02 5.1278E-02 5.0031E-02 4.9501E-02 4.4846E-02 4.3963E-02 4.2311E-02 4.0809E-02 3.9446E-02 3.7026E-02 3.4886E-02 3.4444E-02 3.2995E-02 2.9925E-02 2.7476E-02 2.2933E-02 1.9809E-02 1.7514E-02 1.5743E-02 1.4329E-02 1.3174E-02 1.2204E-02 1.1385E-02 1.0678E-02 1.0059E-02 9.5172E-03 9.0339E-03 8.6038E-03 7.8642E-03 7.2513E-03 6.7357E-03 6.2937E-03 5.9107E-03 5.5748E-03 5.2801E-03 4.1958E-03 3.5034E-03 3.0172E-03 2.3799E-03 1.9753E-03 1.4067E-03 1.1029E-03 7.8170E-04 6.1228E-04 5.0680E-04 4.3402E-04 3.3885E-04 2.7883E-04 1.9470E-04 1.5071E-04 1.0478E-04 8.0881E-05 6.6119E-05 5.6072E-05 4.3196E-05 3.5270E-05 2.4379E-05 1.8743E-05 1.2926E-05 9.9238E-06 8.0822E-06 6.8300E-06 5.2389E-06 4.2606E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 4.9943E+03 4.6656E+05 1.9575E+04 2.2473E+03 1.2198E+03 8.2443E+02 1.1211E+03 1.5083E+03 2.0290E+03 2.3448E+03 2.1367E+03 1.9470E+03 2.2552E+03 2.1783E+03 1.5811E+03 1.6771E+03 1.5228E+03 1.3828E+03 1.4426E+03 1.2031E+03 6.9861E+02 4.4433E+02 2.1483E+02 1.2107E+02 6.5589E+01 1.6533E+02 1.3514E+02 1.1049E+02 1.5378E+02 1.4635E+02 1.3834E+02 1.5991E+02 8.1235E+01 2.7850E+01 1.2856E+01 7.0127E+00 4.2606E+00 1.9305E+00 1.6052E+00 7.6756E+00 5.0886E+00 1.7591E+00 8.1824E-01 4.5381E-01 2.8248E-01 1.9054E-01 1.3639E-01 1.0220E-01 7.9378E-02 6.3464E-02 5.1947E-02 4.3354E-02 3.1639E-02 2.7547E-02 2.4235E-02 1.9256E-02 1.7355E-02 1.6612E-02 1.1206E-02 1.0402E-02 9.0572E-03 7.9820E-03 7.1079E-03 5.7813E-03 4.8293E-03 4.6555E-03 4.1200E-03 3.1499E-03 2.5251E-03 1.6536E-03 1.2122E-03 9.5024E-04 7.7817E-04 6.5736E-04 5.6838E-04 5.0002E-04 4.4580E-04 4.0220E-04 3.6625E-04 3.3619E-04 3.1027E-04 2.8834E-04 2.5237E-04 2.2432E-04 2.0183E-04 1.8342E-04 1.6807E-04 1.5504E-04 1.4391E-04 1.0584E-04 8.3651E-05 6.9154E-05 5.1357E-05 4.0838E-05 2.6993E-05 2.0160E-05 1.3386E-05 1.0018E-05 8.0056E-06 6.6650E-06 4.9943E-06 3.9925E-06 2.6592E-06 1.9936E-06 1.3286E-06 9.9621E-07 7.9673E-07 6.6384E-07 4.9796E-07 3.9837E-07 2.6551E-07 1.9912E-07 1.3274E-07 9.9562E-08 7.9644E-08 6.6384E-08 4.9766E-08 3.9807E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 3.7096E-04 5.8375E-04 1.1230E-03 1.7673E-03 2.4663E-03 3.9103E-03 5.3479E-03 5.6632E-03 6.7588E-03 9.3830E-03 1.1762E-02 1.6933E-02 2.1265E-02 2.4998E-02 2.8280E-02 3.1233E-02 3.3944E-02 3.6419E-02 3.8687E-02 4.0838E-02 4.2842E-02 4.4698E-02 4.6437E-02 4.8057E-02 5.1004E-02 5.3597E-02 5.5983E-02 5.8134E-02 6.0138E-02 6.1935E-02 6.3615E-02 7.0421E-02 7.5489E-02 7.9408E-02 8.5183E-02 8.9249E-02 9.5673E-02 9.9474E-02 1.0389E-01 1.0640E-01 1.0808E-01 1.0926E-01 1.1082E-01 1.1182E-01 1.1329E-01 1.1409E-01 1.1497E-01 1.1541E-01 1.1571E-01 1.1591E-01 1.1618E-01 1.1636E-01 1.1659E-01 1.1671E-01 1.1686E-01 1.1692E-01 1.1695E-01 1.1698E-01 1.1703E-01 1.1706E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.1987E-08 2.7265E-06 9.5997E-06 3.9129E-05 7.7817E-05 1.1927E-04 1.6050E-04 2.0033E-04 2.3837E-04 2.7444E-04 3.0850E-04 3.4061E-04 3.7067E-04 3.9925E-04 4.2636E-04 4.5199E-04 4.9943E-04 5.4245E-04 5.8164E-04 6.1758E-04 6.5059E-04 6.8123E-04 7.0951E-04 8.2620E-04 9.1400E-04 9.8295E-04 1.0858E-03 1.1597E-03 1.2808E-03 1.3554E-03 1.4458E-03 1.4995E-03 1.5357E-03 1.5622E-03 1.5985E-03 1.6226E-03 1.6583E-03 1.6783E-03 1.7001E-03 1.7128E-03 1.7208E-03 1.7261E-03 1.7334E-03 1.7378E-03 1.7440E-03 1.7479E-03 1.7511E-03 1.7535E-03 1.7549E-03 1.7555E-03 1.7564E-03 1.7573E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/I.mat0000644000276300001750000002016613136054446020154 0ustar solebliss00000000000000Iodine 1 53 1.000000 6 4 6 3 3 8 83 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.0721E-03 1.0721E-03 1.5000E-03 2.0000E-03 3.0000E-03 4.0000E-03 4.5571E-03 4.5571E-03 4.7023E-03 4.8521E-03 4.8521E-03 5.0000E-03 5.1881E-03 5.1881E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 3.3169E-02 3.3169E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 2.5000E-01 3.0000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 8.4184E+00 1.8036E+03 1.0403E+01 8.3567E+00 8.3567E+00 7.9581E+00 7.4455E+00 6.4632E+00 5.6281E+00 5.2294E+00 5.2294E+00 5.1326E+00 5.0349E+00 5.0349E+00 4.9400E+00 4.8213E+00 4.8213E+00 4.3563E+00 3.4461E+00 2.7984E+00 1.8431E+00 1.3121E+00 7.4550E-01 6.4300E-01 6.4300E-01 4.8593E-01 3.4518E-01 2.5768E-01 1.5845E-01 1.0734E-01 5.2200E-02 3.0869E-02 2.0346E-02 2.0346E-02 1.4402E-02 8.2950E-03 6.6040E-03 5.3813E-03 4.4692E-03 3.7707E-03 3.2238E-03 2.4338E-03 2.1430E-03 1.9011E-03 1.5259E-03 1.3790E-03 1.3211E-03 8.8597E-04 8.1945E-04 7.0712E-04 6.1643E-04 5.4214E-04 4.2883E-04 3.4765E-04 3.3289E-04 2.8748E-04 2.0595E-04 1.5475E-04 8.7126E-05 5.5759E-05 3.8732E-05 2.8458E-05 2.1791E-05 1.7216E-05 1.3947E-05 1.1527E-05 9.6854E-06 8.2523E-06 7.1181E-06 6.1975E-06 5.4477E-06 4.3050E-06 3.4869E-06 2.8819E-06 2.4216E-06 2.0633E-06 1.7791E-06 1.5499E-06 8.7173E-07 5.5806E-07 3.8746E-07 2.1796E-07 1.3947E-07 6.1975E-08 3.4869E-08 1.5499E-08 8.7173E-09 5.5806E-09 3.8742E-09 2.1791E-09 1.3947E-09 6.1975E-10 3.4869E-10 1.5499E-10 8.7173E-11 5.5806E-11 3.8742E-11 2.1791E-11 1.3947E-11 6.1975E-12 3.4869E-12 1.5499E-12 8.7173E-13 5.5806E-13 3.8742E-13 2.1791E-13 1.3947E-13 INCOHERENT SCATTERING CROSS SECTION 4.6875E-03 7.1680E+02 2.2309E-03 5.2721E-03 5.2721E-03 8.9688E-03 1.3425E-02 2.1895E-02 2.9317E-02 3.2962E-02 3.2962E-02 3.3869E-02 3.4789E-02 3.4789E-02 3.5681E-02 3.6791E-02 3.6791E-02 4.1290E-02 5.1061E-02 5.9555E-02 7.5784E-02 8.6461E-02 9.9084E-02 1.0165E-01 1.0165E-01 1.0573E-01 1.0933E-01 1.1104E-01 1.1152E-01 1.1000E-01 1.0364E-01 9.7091E-02 9.1292E-02 9.1292E-02 8.6272E-02 7.8109E-02 7.4745E-02 7.1751E-02 6.9063E-02 6.6626E-02 6.4397E-02 6.0476E-02 5.8748E-02 5.7151E-02 5.4251E-02 5.2911E-02 5.2342E-02 4.7373E-02 4.6439E-02 4.4691E-02 4.3093E-02 4.1629E-02 3.9037E-02 3.6805E-02 3.6355E-02 3.4857E-02 3.1603E-02 2.8980E-02 2.4178E-02 2.0885E-02 1.8460E-02 1.6595E-02 1.5105E-02 1.3885E-02 1.2865E-02 1.1996E-02 1.1251E-02 1.0601E-02 1.0027E-02 9.5240E-03 9.0685E-03 8.2855E-03 7.6401E-03 7.0991E-03 6.6341E-03 6.2307E-03 5.8748E-03 5.5616E-03 4.4213E-03 3.6910E-03 3.1799E-03 2.5079E-03 2.0818E-03 1.4825E-03 1.1622E-03 8.2380E-04 6.4538E-04 5.3386E-04 4.5727E-04 3.5714E-04 2.9384E-04 2.0519E-04 1.5883E-04 1.1043E-04 8.5228E-05 6.9710E-05 5.9080E-05 4.5532E-05 3.7176E-05 2.5692E-05 1.9750E-05 1.3619E-05 1.0459E-05 8.5180E-06 7.1988E-06 5.5189E-06 4.4906E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 9.0875E+03 1.1162E+06 3.8671E+04 7.8584E+03 8.1953E+03 3.9112E+03 1.9893E+03 7.3554E+02 3.5510E+02 2.5388E+02 7.4977E+02 7.0270E+02 6.5866E+02 8.8834E+02 8.3804E+02 7.6164E+02 8.7885E+02 6.1311E+02 2.8862E+02 1.5973E+02 5.3196E+01 2.4035E+01 7.7160E+00 5.8084E+00 3.5083E+01 2.1506E+01 1.1868E+01 7.2083E+00 3.2402E+00 1.7250E+00 5.4193E-01 2.3831E-01 1.2690E-01 1.2690E-01 7.6496E-02 3.5254E-02 2.5956E-02 1.9879E-02 1.5716E-02 1.2737E-02 1.0529E-02 7.5863E-03 6.5961E-03 5.8133E-03 4.6121E-03 4.1204E-03 3.9221E-03 2.6446E-03 2.4607E-03 2.1467E-03 1.8929E-03 1.6870E-03 1.3755E-03 1.1522E-03 1.1114E-03 9.8575E-04 7.5820E-04 6.1121E-04 4.0464E-04 2.9920E-04 2.3608E-04 1.9442E-04 1.6495E-04 1.4307E-04 1.2623E-04 1.1289E-04 1.0207E-04 9.3105E-05 8.5560E-05 7.9153E-05 7.3649E-05 6.4585E-05 5.7514E-05 5.1820E-05 4.7169E-05 4.3269E-05 3.9961E-05 3.7123E-05 2.7381E-05 2.1687E-05 1.7952E-05 1.3349E-05 1.0625E-05 7.0327E-06 5.2579E-06 3.4926E-06 2.6152E-06 2.0899E-06 1.7401E-06 1.3040E-06 1.0426E-06 6.9473E-07 5.2057E-07 3.4708E-07 2.6029E-07 2.0818E-07 1.7349E-07 1.3012E-07 1.0407E-07 6.9378E-08 5.2010E-08 3.4684E-08 2.6014E-08 2.0813E-08 1.7344E-08 1.3007E-08 1.0407E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 1.8835E-04 2.9210E-04 5.5325E-04 8.7126E-04 1.2331E-03 2.0496E-03 2.9388E-03 3.1391E-03 3.8527E-03 5.6664E-03 7.4076E-03 1.1356E-02 1.4758E-02 1.7691E-02 2.0301E-02 2.2645E-02 2.4776E-02 2.6726E-02 2.8525E-02 3.0190E-02 3.1737E-02 3.3161E-02 3.4485E-02 3.5709E-02 3.7944E-02 3.9952E-02 4.1769E-02 4.3420E-02 4.4930E-02 4.6306E-02 4.7596E-02 5.2721E-02 5.6565E-02 5.9555E-02 6.3921E-02 6.7053E-02 7.2035E-02 7.5025E-02 7.8489E-02 8.0482E-02 8.1763E-02 8.2712E-02 8.3946E-02 8.4753E-02 8.5939E-02 8.6604E-02 8.7268E-02 8.7648E-02 8.7885E-02 8.8027E-02 8.8265E-02 8.8407E-02 8.8597E-02 8.8692E-02 8.8787E-02 8.8834E-02 8.8882E-02 8.8882E-02 8.8929E-02 8.8929E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 9.7091E-08 2.8784E-06 1.0136E-05 4.1337E-05 8.2285E-05 1.2623E-04 1.6998E-04 2.1231E-04 2.5284E-04 2.9127E-04 3.2762E-04 3.6193E-04 3.9420E-04 4.2490E-04 4.5395E-04 4.8166E-04 5.3243E-04 5.7894E-04 6.2165E-04 6.6056E-04 6.9663E-04 7.2984E-04 7.6116E-04 8.8929E-04 9.8657E-04 1.0639E-03 1.1797E-03 1.2642E-03 1.4042E-03 1.4915E-03 1.5987E-03 1.6633E-03 1.7069E-03 1.7392E-03 1.7838E-03 1.8132E-03 1.8569E-03 1.8816E-03 1.9086E-03 1.9243E-03 1.9342E-03 1.9409E-03 1.9499E-03 1.9556E-03 1.9632E-03 1.9679E-03 1.9722E-03 1.9750E-03 1.9765E-03 1.9774E-03 1.9788E-03 1.9798E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Th.mat0000644000276300001750000002241613136054446020337 0ustar solebliss00000000000000Th 1 90 1.000000 12 4 3 5 3 3 3 3 6 3 3 8 78 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.1683E-03 1.1683E-03 1.2463E-03 1.3295E-03 1.3295E-03 1.5000E-03 2.0000E-03 3.0000E-03 3.3320E-03 3.3320E-03 3.4105E-03 3.4908E-03 3.4908E-03 4.0000E-03 4.0461E-03 4.0461E-03 4.4209E-03 4.8304E-03 4.8304E-03 5.0000E-03 5.1823E-03 5.1823E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 1.6300E-02 1.6300E-02 1.7917E-02 1.9693E-02 1.9693E-02 2.0000E-02 2.0472E-02 2.0472E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.0965E-01 1.0965E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.3272E+01 5.5091E+01 1.4710E+01 1.3060E+01 1.3060E+01 1.2965E+01 1.2860E+01 1.2860E+01 1.2629E+01 1.1964E+01 1.0706E+01 1.0322E+01 1.0322E+01 1.0233E+01 1.0143E+01 1.0143E+01 9.5897E+00 9.5430E+00 9.5430E+00 9.1671E+00 8.7774E+00 8.7774E+00 8.6243E+00 8.4608E+00 8.4608E+00 7.7886E+00 6.4260E+00 5.3775E+00 3.6386E+00 3.3220E+00 3.3220E+00 2.9799E+00 2.6628E+00 2.6628E+00 2.6135E+00 2.5390E+00 2.5390E+00 1.5388E+00 1.0345E+00 7.4408E-01 5.5903E-01 3.5115E-01 2.4355E-01 2.0864E-01 2.0864E-01 1.2144E-01 7.2669E-02 4.8555E-02 3.4829E-02 2.6233E-02 2.0474E-02 1.6420E-02 1.3459E-02 1.1232E-02 9.5145E-03 8.1626E-03 6.1991E-03 5.4735E-03 4.8686E-03 3.9239E-03 3.5504E-03 3.4025E-03 2.2971E-03 2.1275E-03 1.8396E-03 1.6060E-03 1.4140E-03 1.1206E-03 9.1044E-04 8.7229E-04 7.5455E-04 5.4177E-04 4.0747E-04 2.2974E-04 1.4723E-04 1.0231E-04 7.5212E-05 5.7590E-05 4.5522E-05 3.6880E-05 3.0469E-05 2.5613E-05 2.1824E-05 1.8819E-05 1.6395E-05 1.4409E-05 1.1386E-05 9.2238E-06 7.6225E-06 6.4053E-06 5.4580E-06 4.7053E-06 4.1006E-06 2.3059E-06 1.4760E-06 1.0249E-06 5.7642E-07 3.6905E-07 1.6400E-07 9.2238E-08 4.1006E-08 2.3062E-08 1.4760E-08 1.0249E-08 5.7642E-09 3.6905E-09 1.6400E-09 9.2238E-10 4.1006E-10 2.3062E-10 1.4760E-10 1.0249E-10 5.7642E-11 3.6905E-11 1.6400E-11 9.2238E-12 4.1006E-12 2.3062E-12 1.4760E-12 1.0249E-12 5.7642E-13 3.6905E-13 INCOHERENT SCATTERING CROSS SECTION 4.8065E-03 7.3799E+02 2.9056E-03 5.8706E-03 5.8706E-03 6.3429E-03 6.8413E-03 6.8413E-03 7.8846E-03 1.0859E-02 1.6558E-02 1.8375E-02 1.8375E-02 1.8796E-02 1.9224E-02 1.9224E-02 2.1855E-02 2.2086E-02 2.2086E-02 2.3928E-02 2.5873E-02 2.5873E-02 2.6654E-02 2.7458E-02 2.7458E-02 3.0884E-02 3.8307E-02 4.4821E-02 5.7824E-02 6.0497E-02 6.0497E-02 6.3514E-02 6.6440E-02 6.6440E-02 6.6907E-02 6.7634E-02 6.7634E-02 7.9053E-02 8.6554E-02 9.1122E-02 9.3795E-02 9.5845E-02 9.5741E-02 9.5300E-02 9.5300E-02 9.2108E-02 8.7281E-02 8.2610E-02 7.8405E-02 7.4690E-02 7.1397E-02 6.8459E-02 6.5817E-02 6.3426E-02 6.1250E-02 5.9258E-02 5.5745E-02 5.4190E-02 5.2748E-02 5.0116E-02 4.8896E-02 4.8377E-02 4.3835E-02 4.2980E-02 4.1381E-02 3.9916E-02 3.8571E-02 3.6184E-02 3.4128E-02 3.3713E-02 3.2331E-02 2.9319E-02 2.6888E-02 2.2439E-02 1.9387E-02 1.7140E-02 1.5406E-02 1.4023E-02 1.2891E-02 1.1944E-02 1.1142E-02 1.0449E-02 9.8441E-03 9.3120E-03 8.8423E-03 8.4192E-03 7.6951E-03 7.0982E-03 6.5921E-03 6.1613E-03 5.7850E-03 5.4580E-03 5.1673E-03 4.1058E-03 3.4284E-03 2.9535E-03 2.3290E-03 1.9333E-03 1.3768E-03 1.0794E-03 7.6510E-04 5.9926E-04 4.9597E-04 4.2459E-04 3.3168E-04 2.7277E-04 1.9057E-04 1.4749E-04 1.0254E-04 7.9157E-05 6.4727E-05 5.4891E-05 4.2278E-05 3.4518E-05 2.3859E-05 1.8344E-05 1.2650E-05 9.7117E-06 7.9079E-06 6.6856E-06 5.1258E-06 4.1707E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 6.5999E+03 4.5009E+05 2.3529E+04 4.9649E+03 5.0349E+03 4.4457E+03 3.9267E+03 4.0046E+03 3.1481E+03 1.7295E+03 7.0723E+02 5.5670E+02 1.3833E+03 1.2967E+03 1.2154E+03 1.7391E+03 1.2434E+03 1.2076E+03 1.4051E+03 1.1256E+03 9.0162E+02 9.5664E+02 8.7904E+02 8.0455E+02 8.3933E+02 5.8680E+02 2.8730E+02 1.6351E+02 5.7720E+01 4.6534E+01 1.1225E+02 8.6779E+01 6.7115E+01 9.5975E+01 9.0992E+01 8.5905E+01 9.9193E+01 3.7295E+01 1.7529E+01 9.6831E+00 5.9381E+00 2.7303E+00 1.4908E+00 1.1609E+00 5.0323E+00 2.2584E+00 1.0739E+00 6.0479E-01 3.8073E-01 2.5925E-01 1.8707E-01 1.4112E-01 1.1022E-01 8.8515E-02 7.2721E-02 6.0889E-02 4.4663E-02 3.8956E-02 3.4319E-02 2.7320E-02 2.4643E-02 2.3597E-02 1.5946E-02 1.4800E-02 1.2877E-02 1.1339E-02 1.0091E-02 8.2031E-03 6.8517E-03 6.6051E-03 5.8443E-03 4.4620E-03 3.5712E-03 2.3322E-03 1.7056E-03 1.3345E-03 1.0913E-03 9.2108E-04 7.9521E-04 6.9892E-04 6.2314E-04 5.6163E-04 5.1128E-04 4.6872E-04 4.3290E-04 4.0202E-04 3.5167E-04 3.1222E-04 2.8081E-04 2.5517E-04 2.3373E-04 2.1559E-04 2.0005E-04 1.4700E-04 1.1611E-04 9.5949E-05 7.1216E-05 5.6604E-05 3.7425E-05 2.7926E-05 1.8544E-05 1.3877E-05 1.1087E-05 9.2316E-06 6.9165E-06 5.5280E-06 3.6828E-06 2.7614E-06 1.8398E-06 1.3797E-06 1.1035E-06 9.1952E-07 6.8958E-07 5.5151E-07 3.6776E-07 2.7588E-07 1.8383E-07 1.3786E-07 1.1030E-07 9.1926E-08 6.8932E-08 5.5151E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 4.3212E-04 6.8666E-04 1.3382E-03 2.1170E-03 2.9510E-03 4.6229E-03 6.2340E-03 6.5843E-03 7.7894E-03 1.0601E-02 1.3088E-02 1.8432E-02 2.2891E-02 2.6732E-02 3.0106E-02 3.3168E-02 3.5971E-02 3.8541E-02 4.0928E-02 4.3160E-02 4.5236E-02 4.7183E-02 4.9000E-02 5.0713E-02 5.3775E-02 5.6526E-02 5.9044E-02 6.1327E-02 6.3404E-02 6.5324E-02 6.7089E-02 7.4252E-02 7.9599E-02 8.3725E-02 8.9824E-02 9.4106E-02 1.0088E-01 1.0490E-01 1.0960E-01 1.1227E-01 1.1404E-01 1.1531E-01 1.1697E-01 1.1806E-01 1.1964E-01 1.2050E-01 1.2144E-01 1.2193E-01 1.2224E-01 1.2247E-01 1.2276E-01 1.2291E-01 1.2317E-01 1.2330E-01 1.2346E-01 1.2354E-01 1.2359E-01 1.2362E-01 1.2364E-01 1.2367E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.0044E-08 2.6678E-06 9.3899E-06 3.8255E-05 7.6069E-05 1.1658E-04 1.5684E-04 1.9571E-04 2.3283E-04 2.6810E-04 3.0106E-04 3.3246E-04 3.6179E-04 3.8956E-04 4.1603E-04 4.4095E-04 4.8688E-04 5.2867E-04 5.6682E-04 6.0160E-04 6.3378E-04 6.6336E-04 6.9087E-04 8.0377E-04 8.8864E-04 9.5534E-04 1.0547E-03 1.1266E-03 1.2439E-03 1.3169E-03 1.4054E-03 1.4581E-03 1.4941E-03 1.5203E-03 1.5567E-03 1.5808E-03 1.6169E-03 1.6371E-03 1.6594E-03 1.6727E-03 1.6807E-03 1.6864E-03 1.6940E-03 1.6989E-03 1.7054E-03 1.7093E-03 1.7127E-03 1.7152E-03 1.7165E-03 1.7173E-03 1.7184E-03 1.7191E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Pt.mat0000644000276300001750000002205213136054446020343 0ustar solebliss00000000000000Pt 1 78 1.000000 10 6 3 3 3 3 7 3 3 8 80 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 2.1216E-03 2.1216E-03 2.1614E-03 2.2019E-03 2.2019E-03 2.4135E-03 2.6454E-03 2.6454E-03 3.0000E-03 3.0265E-03 3.0265E-03 3.1584E-03 3.2960E-03 3.2960E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.1564E-02 1.1564E-02 1.2389E-02 1.3273E-02 1.3273E-02 1.3573E-02 1.3880E-02 1.3880E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 7.8395E-02 7.8395E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.2061E+01 4.6010E+01 1.3160E+01 1.1601E+01 1.1061E+01 1.0919E+01 1.0919E+01 1.0873E+01 1.0826E+01 1.0826E+01 1.0588E+01 1.0329E+01 1.0329E+01 9.9216E+00 9.8908E+00 9.8908E+00 9.7419E+00 9.5913E+00 9.5913E+00 8.8412E+00 7.8873E+00 7.0600E+00 5.7387E+00 4.7416E+00 4.1242E+00 4.1242E+00 3.8375E+00 3.5624E+00 3.5624E+00 3.4768E+00 3.3926E+00 3.3926E+00 3.1086E+00 2.1912E+00 1.2941E+00 8.5911E-01 6.0907E-01 4.5564E-01 2.9617E-01 2.9617E-01 2.8647E-01 1.9738E-01 9.6901E-02 5.7758E-02 3.8486E-02 2.7505E-02 2.0629E-02 1.6037E-02 1.2820E-02 1.0480E-02 8.7278E-03 7.3810E-03 6.3238E-03 4.7917E-03 4.2261E-03 3.7548E-03 3.0207E-03 2.7317E-03 2.6175E-03 1.7621E-03 1.6309E-03 1.4088E-03 1.2292E-03 1.0822E-03 8.5738E-04 6.9519E-04 6.6556E-04 5.7465E-04 4.1224E-04 3.1024E-04 1.7479E-04 1.1193E-04 7.7762E-05 5.7141E-05 4.3774E-05 3.4574E-05 2.8015E-05 2.3153E-05 1.9457E-05 1.6580E-05 1.4296E-05 1.2453E-05 1.0947E-05 8.6498E-06 7.0044E-06 5.7881E-06 4.8651E-06 4.1459E-06 3.5748E-06 3.1148E-06 1.7516E-06 1.1209E-06 7.7854E-07 4.3774E-07 2.8024E-07 1.2456E-07 7.0044E-08 3.1148E-08 1.7516E-08 1.1209E-08 7.7854E-09 4.3774E-09 2.8024E-09 1.2456E-09 7.0044E-10 3.1148E-10 1.7516E-10 1.1209E-10 7.7854E-11 4.3774E-11 2.8024E-11 1.2456E-11 7.0044E-12 3.1148E-12 1.7516E-12 1.1209E-12 7.7854E-13 4.3774E-13 2.8024E-13 INCOHERENT SCATTERING CROSS SECTION 3.3679E-03 2.6946E-03 1.2564E-03 6.2111E-03 9.1283E-03 9.8352E-03 9.8352E-03 1.0066E-02 1.0301E-02 1.0301E-02 1.1509E-02 1.2817E-02 1.2817E-02 1.4805E-02 1.4950E-02 1.4950E-02 1.5670E-02 1.6417E-02 1.6417E-02 2.0171E-02 2.5298E-02 3.0194E-02 3.9051E-02 4.6490E-02 5.1460E-02 5.1460E-02 5.3776E-02 5.6122E-02 5.6122E-02 5.6905E-02 5.7696E-02 5.7696E-02 6.0444E-02 7.0600E-02 8.4368E-02 9.2332E-02 9.6809E-02 9.9278E-02 1.0101E-01 1.0101E-01 1.0104E-01 1.0064E-01 9.6284E-02 9.0912E-02 8.5862E-02 8.1374E-02 7.7433E-02 7.3965E-02 7.0891E-02 6.8130E-02 6.5626E-02 6.3345E-02 6.1261E-02 5.7591E-02 5.5967E-02 5.4463E-02 5.1745E-02 5.0503E-02 4.9979E-02 4.5256E-02 4.4362E-02 4.2698E-02 4.1181E-02 3.9791E-02 3.7324E-02 3.5192E-02 3.4760E-02 3.3327E-02 3.0223E-02 2.7724E-02 2.3137E-02 1.9988E-02 1.7670E-02 1.5883E-02 1.4456E-02 1.3290E-02 1.2314E-02 1.1487E-02 1.0771E-02 1.0147E-02 9.6006E-03 9.1159E-03 8.6807E-03 7.9336E-03 7.3162E-03 6.7945E-03 6.3500E-03 5.9641E-03 5.6245E-03 5.3282E-03 4.2323E-03 3.5346E-03 3.0444E-03 2.4011E-03 1.9927E-03 1.4191E-03 1.1129E-03 7.8873E-04 6.1771E-04 5.1121E-04 4.3774E-04 3.4204E-04 2.8129E-04 1.9646E-04 1.5204E-04 1.0573E-04 8.1590E-05 6.6710E-05 5.6585E-05 4.3589E-05 3.5593E-05 2.4594E-05 1.8908E-05 1.3040E-05 1.0011E-05 8.1528E-06 6.8902E-06 5.2850E-06 4.3002E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 4.4206E+03 4.2981E+05 1.7536E+04 1.9748E+03 1.0693E+03 9.3969E+02 1.0187E+03 1.5289E+03 2.2933E+03 2.4409E+03 2.3664E+03 2.2946E+03 2.6505E+03 1.9553E+03 1.9133E+03 2.0313E+03 1.8366E+03 1.6608E+03 1.7321E+03 1.0913E+03 6.3222E+02 4.0100E+02 1.9294E+02 1.0845E+02 7.4273E+01 1.9047E+02 1.5814E+02 1.3132E+02 1.8176E+02 1.7221E+02 1.6315E+02 1.8862E+02 1.5460E+02 7.3471E+01 2.5036E+01 1.1496E+01 6.2481E+00 3.7847E+00 1.8062E+00 8.9832E+00 8.3442E+00 4.6953E+00 1.6015E+00 7.4088E-01 4.0961E-01 2.5357E-01 1.7049E-01 1.2178E-01 9.1059E-02 7.0600E-02 5.6369E-02 4.6089E-02 3.8428E-02 2.8001E-02 2.4366E-02 2.1428E-02 1.7017E-02 1.5333E-02 1.4676E-02 9.9000E-03 9.1908E-03 8.0029E-03 7.0538E-03 6.2829E-03 5.1122E-03 4.2693E-03 4.1150E-03 3.6407E-03 2.7852E-03 2.2350E-03 1.4651E-03 1.0749E-03 8.4306E-04 6.9087E-04 5.8375E-04 5.0473E-04 4.4422E-04 3.9637E-04 3.5748E-04 3.2568E-04 2.9888E-04 2.7610E-04 2.5650E-04 2.2455E-04 1.9964E-04 1.7963E-04 1.6327E-04 1.4963E-04 1.3805E-04 1.2814E-04 9.4277E-05 7.4520E-05 6.1617E-05 4.5749E-05 3.6396E-05 2.4060E-05 1.7973E-05 1.1931E-05 8.9307E-06 7.1372E-06 5.9425E-06 4.4515E-06 3.5593E-06 2.3708E-06 1.7775E-06 1.1845E-06 8.8813E-07 7.1032E-07 5.9209E-07 4.4391E-07 3.5501E-07 2.3674E-07 1.7753E-07 1.1836E-07 8.8752E-08 7.1001E-08 5.9178E-08 4.4391E-08 3.5501E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 3.5099E-04 5.5057E-04 1.0548E-03 1.6571E-03 2.3131E-03 3.6824E-03 5.0658E-03 5.3714E-03 6.4353E-03 8.9899E-03 1.1317E-02 1.6429E-02 2.0711E-02 2.4394E-02 2.7638E-02 3.0558E-02 3.3216E-02 3.5655E-02 3.7908E-02 4.0008E-02 4.1983E-02 4.3835E-02 4.5533E-02 4.7139E-02 5.0010E-02 5.2572E-02 5.4918E-02 5.7048E-02 5.8962E-02 6.0752E-02 6.2388E-02 6.9087E-02 7.4057E-02 7.7916E-02 8.3596E-02 8.7578E-02 9.3876E-02 9.7611E-02 1.0196E-01 1.0443E-01 1.0607E-01 1.0721E-01 1.0876E-01 1.0974E-01 1.1119E-01 1.1197E-01 1.1283E-01 1.1326E-01 1.1357E-01 1.1376E-01 1.1403E-01 1.1419E-01 1.1440E-01 1.1453E-01 1.1468E-01 1.1474E-01 1.1477E-01 1.1481E-01 1.1484E-01 1.1487E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.2841E-08 2.7516E-06 9.6870E-06 3.9483E-05 7.8534E-05 1.2039E-04 1.6201E-04 2.0223E-04 2.4066E-04 2.7709E-04 3.1148E-04 3.4389E-04 3.7445E-04 4.0316E-04 4.3064E-04 4.5657E-04 5.0442E-04 5.4794E-04 5.8777E-04 6.2419E-04 6.5753E-04 6.8840E-04 7.1711E-04 8.3534E-04 9.2425E-04 9.9433E-04 1.0987E-03 1.1737E-03 1.2965E-03 1.3725E-03 1.4642E-03 1.5185E-03 1.5552E-03 1.5821E-03 1.6188E-03 1.6429E-03 1.6787E-03 1.6991E-03 1.7210E-03 1.7340E-03 1.7417E-03 1.7472E-03 1.7543E-03 1.7590E-03 1.7652E-03 1.7689E-03 1.7723E-03 1.7744E-03 1.7760E-03 1.7766E-03 1.7775E-03 1.7784E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Os.mat0000644000276300001750000002174213136054446020346 0ustar solebliss00000000000000Os 1 76 1.000000 10 5 3 3 3 3 7 3 3 8 80 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 1.9601E-03 1.9601E-03 2.0000E-03 2.0308E-03 2.0308E-03 2.2338E-03 2.4572E-03 2.4572E-03 2.6193E-03 2.7922E-03 2.7922E-03 3.0000E-03 3.0485E-03 3.0485E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.0871E-02 1.0871E-02 1.1603E-02 1.2385E-02 1.2385E-02 1.2673E-02 1.2968E-02 1.2968E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 7.3871E-02 7.3871E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.1696E+01 4.8962E+01 1.2848E+01 1.1215E+01 1.0718E+01 1.0718E+01 1.0673E+01 1.0638E+01 1.0638E+01 1.0416E+01 1.0173E+01 1.0173E+01 9.9919E+00 9.7994E+00 9.7994E+00 9.5715E+00 9.5176E+00 9.5176E+00 8.5488E+00 7.6401E+00 6.8454E+00 5.5567E+00 4.5783E+00 4.2269E+00 4.2269E+00 3.9622E+00 3.6981E+00 3.6981E+00 3.6040E+00 3.5113E+00 3.5113E+00 2.9848E+00 2.1039E+00 1.2437E+00 8.2290E-01 5.8258E-01 4.3599E-01 3.1241E-01 3.1241E-01 2.7413E-01 1.8858E-01 9.2422E-02 5.5060E-02 3.6667E-02 2.6188E-02 1.9628E-02 1.5252E-02 1.2188E-02 9.9609E-03 8.2919E-03 7.0100E-03 6.0045E-03 4.5487E-03 4.0116E-03 3.5640E-03 2.8666E-03 2.5919E-03 2.4833E-03 1.6711E-03 1.5467E-03 1.3360E-03 1.1655E-03 1.0256E-03 8.1207E-04 6.5889E-04 6.3103E-04 5.4525E-04 3.9099E-04 2.9395E-04 1.6559E-04 1.0604E-04 7.3678E-05 5.4142E-05 4.1446E-05 3.2770E-05 2.6539E-05 2.1936E-05 1.8431E-05 1.5704E-05 1.3542E-05 1.1797E-05 1.0369E-05 8.1942E-06 6.6364E-06 5.4839E-06 4.6100E-06 3.9261E-06 3.3847E-06 2.9496E-06 1.6591E-06 1.0619E-06 7.3741E-07 4.1477E-07 2.6546E-07 1.1797E-07 6.6364E-08 2.9496E-08 1.6591E-08 1.0619E-08 7.3741E-09 4.1477E-09 2.6546E-09 1.1797E-09 6.6364E-10 2.9496E-10 1.6591E-10 1.0619E-10 7.3741E-11 4.1477E-11 2.6546E-11 1.1797E-11 6.6364E-12 2.9496E-12 1.6591E-12 1.0619E-12 7.3741E-13 4.1477E-13 2.6546E-13 INCOHERENT SCATTERING CROSS SECTION 4.0464E-03 8.9474E-03 1.6524E-03 7.1366E-03 9.8659E-03 9.8659E-03 1.0100E-02 1.0281E-02 1.0281E-02 1.1451E-02 1.2716E-02 1.2716E-02 1.3632E-02 1.4603E-02 1.4603E-02 1.5758E-02 1.6027E-02 1.6027E-02 2.1157E-02 2.6286E-02 3.1140E-02 3.9831E-02 4.7082E-02 4.9900E-02 4.9900E-02 5.2157E-02 5.4364E-02 5.4364E-02 5.5108E-02 5.5852E-02 5.5852E-02 6.0950E-02 7.1208E-02 8.5044E-02 9.2928E-02 9.7329E-02 9.9736E-02 1.0119E-01 1.0119E-01 1.0141E-01 1.0094E-01 9.6443E-02 9.0997E-02 8.5926E-02 8.1435E-02 7.7487E-02 7.3994E-02 7.0882E-02 6.8105E-02 6.5617E-02 6.3356E-02 6.1279E-02 5.7604E-02 5.5979E-02 5.4473E-02 5.1736E-02 5.0469E-02 4.9931E-02 4.5213E-02 4.4326E-02 4.2669E-02 4.1161E-02 3.9784E-02 3.7334E-02 3.5177E-02 3.4733E-02 3.3277E-02 3.0182E-02 2.7708E-02 2.3123E-02 1.9976E-02 1.7658E-02 1.5872E-02 1.4447E-02 1.3282E-02 1.2307E-02 1.1478E-02 1.0765E-02 1.0141E-02 9.5936E-03 9.1092E-03 8.6754E-03 7.9282E-03 7.3108E-03 6.7915E-03 6.3451E-03 5.9588E-03 5.6232E-03 5.3224E-03 4.2301E-03 3.5303E-03 3.0424E-03 2.3994E-03 1.9915E-03 1.4181E-03 1.1120E-03 7.8807E-04 6.1741E-04 5.1103E-04 4.3757E-04 3.4163E-04 2.8113E-04 1.9634E-04 1.5195E-04 1.0566E-04 8.1562E-05 6.6680E-05 5.6549E-05 4.3567E-05 3.5557E-05 2.4579E-05 1.8896E-05 1.3032E-05 1.0005E-05 8.1467E-06 6.8865E-06 5.2812E-06 4.2966E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 4.0211E+03 3.9712E+05 1.6020E+04 1.7902E+03 1.0122E+03 1.0439E+03 2.2075E+03 2.5817E+03 2.8258E+03 2.6757E+03 2.5336E+03 2.9354E+03 2.5131E+03 2.1518E+03 2.2863E+03 1.9289E+03 1.8592E+03 1.9390E+03 1.0141E+03 5.8575E+02 3.7076E+02 1.7800E+02 9.9862E+01 8.0295E+01 2.0780E+02 1.7451E+02 1.4656E+02 2.0232E+02 1.9137E+02 1.8104E+02 2.0932E+02 1.4476E+02 6.8200E+01 2.3104E+01 1.0578E+01 5.7340E+00 3.4670E+00 1.9463E+00 9.7456E+00 7.9124E+00 4.4074E+00 1.4907E+00 6.8675E-01 3.7799E-01 2.3373E-01 1.5689E-01 1.1186E-01 8.3528E-02 6.4686E-02 5.1588E-02 4.2142E-02 3.5118E-02 2.5573E-02 2.2246E-02 1.9557E-02 1.5523E-02 1.3988E-02 1.3390E-02 9.0300E-03 8.3837E-03 7.3023E-03 6.4369E-03 5.7316E-03 4.6603E-03 3.8944E-03 3.7551E-03 3.3255E-03 2.5451E-03 2.0416E-03 1.3393E-03 9.8311E-04 7.7129E-04 6.3229E-04 5.3446E-04 4.6227E-04 4.0686E-04 3.6316E-04 3.2770E-04 2.9845E-04 2.7391E-04 2.5308E-04 2.3512E-04 2.0587E-04 1.8304E-04 1.6474E-04 1.4973E-04 1.3722E-04 1.2662E-04 1.1756E-04 8.6501E-05 6.8390E-05 5.6549E-05 4.1984E-05 3.3404E-05 2.2084E-05 1.6496E-05 1.0955E-05 8.1973E-06 6.5509E-06 5.4554E-06 4.0876E-06 3.2675E-06 2.1765E-06 1.6319E-06 1.0873E-06 8.1530E-07 6.5224E-07 5.4332E-07 4.0749E-07 3.2612E-07 2.1733E-07 1.6300E-07 1.0866E-07 8.1498E-08 6.5192E-08 5.4332E-08 4.0749E-08 3.2580E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 3.3530E-04 5.2509E-04 1.0039E-03 1.5765E-03 2.2026E-03 3.5186E-03 4.8538E-03 5.1483E-03 6.1760E-03 8.6641E-03 1.0949E-02 1.5980E-02 2.0194E-02 2.3816E-02 2.7011E-02 2.9883E-02 3.2485E-02 3.4892E-02 3.7108E-02 3.9198E-02 4.1129E-02 4.2934E-02 4.4612E-02 4.6163E-02 4.9013E-02 5.1514E-02 5.3794E-02 5.5884E-02 5.7783E-02 5.9525E-02 6.1140E-02 6.7725E-02 7.2570E-02 7.6369E-02 8.1942E-02 8.5836E-02 9.2042E-02 9.5683E-02 9.9957E-02 1.0240E-01 1.0398E-01 1.0512E-01 1.0664E-01 1.0762E-01 1.0901E-01 1.0977E-01 1.1063E-01 1.1107E-01 1.1136E-01 1.1155E-01 1.1180E-01 1.1196E-01 1.1218E-01 1.1231E-01 1.1243E-01 1.1250E-01 1.1253E-01 1.1256E-01 1.1259E-01 1.1262E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.2854E-08 2.7510E-06 9.6823E-06 3.9451E-05 7.8490E-05 1.2035E-04 1.6195E-04 2.0219E-04 2.4063E-04 2.7704E-04 3.1146E-04 3.4385E-04 3.7425E-04 4.0338E-04 4.3060E-04 4.5657E-04 5.0469E-04 5.4807E-04 5.8797E-04 6.2438E-04 6.5794E-04 6.8897E-04 7.1778E-04 8.3620E-04 9.2517E-04 9.9546E-04 1.0999E-03 1.1756E-03 1.2988E-03 1.3754E-03 1.4679E-03 1.5226E-03 1.5600E-03 1.5872E-03 1.6246E-03 1.6496E-03 1.6863E-03 1.7069E-03 1.7294E-03 1.7430E-03 1.7509E-03 1.7566E-03 1.7642E-03 1.7690E-03 1.7753E-03 1.7791E-03 1.7826E-03 1.7851E-03 1.7864E-03 1.7873E-03 1.7883E-03 1.7889E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Zr.mat0000644000276300001750000002005013136054446020347 0ustar solebliss00000000000000Zr 1 40 1.000000 5 6 3 3 9 85 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 2.2223E-03 2.2223E-03 2.2641E-03 2.3067E-03 2.3067E-03 2.4165E-03 2.5316E-03 2.5316E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 1.7998E-02 1.7998E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 6.5467E+00 4.0957E+01 7.5353E+00 6.1255E+00 5.7050E+00 5.5235E+00 5.5235E+00 5.4898E+00 5.4561E+00 5.4561E+00 5.3740E+00 5.2904E+00 5.2904E+00 4.9439E+00 4.2969E+00 3.7576E+00 3.3139E+00 2.6406E+00 2.1501E+00 1.3533E+00 1.0635E+00 1.0635E+00 9.2223E-01 5.2145E-01 3.3839E-01 2.3580E-01 1.7349E-01 1.0576E-01 7.1626E-02 3.4565E-02 2.0234E-02 1.3250E-02 9.3411E-03 6.9374E-03 5.3545E-03 4.2566E-03 3.4638E-03 2.8727E-03 2.4208E-03 2.0679E-03 1.5591E-03 1.3718E-03 1.2159E-03 9.7463E-04 8.8064E-04 8.4367E-04 5.6522E-04 5.2270E-04 4.5093E-04 3.9299E-04 3.4548E-04 2.7306E-04 2.2135E-04 2.1197E-04 1.8310E-04 1.3115E-04 9.8494E-05 5.5413E-05 3.5470E-05 2.4637E-05 1.8101E-05 1.3857E-05 1.0952E-05 8.8724E-06 7.3276E-06 6.1598E-06 5.2482E-06 4.5253E-06 3.9424E-06 3.4651E-06 2.7376E-06 2.2174E-06 1.8326E-06 1.5401E-06 1.3124E-06 1.1315E-06 9.8560E-07 5.5439E-07 3.5483E-07 2.4637E-07 1.3857E-07 8.8724E-08 3.9424E-08 2.2174E-08 9.8560E-09 5.5433E-09 3.5476E-09 2.4637E-09 1.3857E-09 8.8724E-10 3.9424E-10 2.2174E-10 9.8560E-11 5.5433E-11 3.5476E-11 2.4637E-11 1.3857E-11 8.8724E-12 3.9424E-12 2.2174E-12 9.8560E-13 5.5433E-13 3.5476E-13 2.4637E-13 1.3857E-13 8.8724E-14 INCOHERENT SCATTERING CROSS SECTION 8.1000E-03 1.8870E-02 3.6773E-03 1.3381E-02 1.8141E-02 2.0174E-02 2.0174E-02 2.0555E-02 2.0940E-02 2.0940E-02 2.1913E-02 2.2914E-02 2.2914E-02 2.6914E-02 3.4843E-02 4.2065E-02 4.8607E-02 5.9625E-02 6.8457E-02 8.4961E-02 9.2355E-02 9.2355E-02 9.6448E-02 1.1005E-01 1.1685E-01 1.2015E-01 1.2140E-01 1.2074E-01 1.1836E-01 1.1064E-01 1.0331E-01 9.6900E-02 9.1365E-02 8.6586E-02 8.2452E-02 7.8849E-02 7.5653E-02 7.2778E-02 7.0174E-02 6.7801E-02 6.3633E-02 6.1790E-02 6.0082E-02 5.7014E-02 5.5631E-02 5.5050E-02 4.9788E-02 4.8797E-02 4.6956E-02 4.5280E-02 4.3743E-02 4.1016E-02 3.8665E-02 3.8190E-02 3.6612E-02 3.3188E-02 3.0433E-02 2.5389E-02 2.1930E-02 1.9382E-02 1.7421E-02 1.5857E-02 1.4576E-02 1.3507E-02 1.2596E-02 1.1817E-02 1.1130E-02 1.0529E-02 9.9946E-03 9.5193E-03 8.7008E-03 8.0208E-03 7.4531E-03 6.9646E-03 6.5401E-03 6.1691E-03 5.8417E-03 4.6422E-03 3.8751E-03 3.3390E-03 2.6333E-03 2.1858E-03 1.5566E-03 1.2200E-03 8.6479E-04 6.7731E-04 5.6073E-04 4.8013E-04 3.7496E-04 3.0849E-04 2.1541E-04 1.6675E-04 1.1592E-04 8.9516E-05 7.3144E-05 6.2047E-05 4.7801E-05 3.9028E-05 2.6974E-05 2.0735E-05 1.4299E-05 1.0978E-05 8.9384E-06 7.5587E-06 5.7948E-06 4.7148E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 4.2032E+03 9.2819E+05 2.1342E+04 1.6253E+03 8.0604E+02 6.2028E+02 2.3858E+03 2.2458E+03 2.1145E+03 2.9476E+03 2.6336E+03 2.3534E+03 2.6855E+03 1.7672E+03 8.4631E+02 4.7181E+02 2.9014E+02 1.3295E+02 7.1956E+01 2.3184E+01 1.3857E+01 9.3543E+01 7.1362E+01 2.4221E+01 1.0932E+01 5.8179E+00 3.4486E+00 1.4946E+00 7.7567E-01 2.3382E-01 1.0014E-01 5.2309E-02 3.1073E-02 2.0199E-02 1.4035E-02 1.0264E-02 7.8162E-03 6.1490E-03 4.9623E-03 4.0884E-03 2.9337E-03 2.5488E-03 2.2460E-03 1.7806E-03 1.5883E-03 1.5104E-03 1.0193E-03 9.4923E-04 8.2931E-04 7.3210E-04 6.5304E-04 5.3341E-04 4.4791E-04 4.3233E-04 3.8423E-04 2.9656E-04 2.3977E-04 1.5995E-04 1.1889E-04 9.4203E-05 7.7765E-05 6.6147E-05 5.7519E-05 5.0838E-05 4.5530E-05 4.1213E-05 3.7635E-05 3.4625E-05 3.2057E-05 2.9839E-05 2.6208E-05 2.3363E-05 2.1072E-05 1.9184E-05 1.7613E-05 1.6273E-05 1.5124E-05 1.1176E-05 8.8592E-06 7.3408E-06 5.4621E-06 4.3497E-06 2.8822E-06 2.1547E-06 1.4319E-06 1.0721E-06 8.5687E-07 7.1362E-07 5.3492E-07 4.2778E-07 2.8499E-07 2.1369E-07 1.4239E-07 1.0681E-07 8.5423E-08 7.1164E-08 5.3380E-08 4.2705E-08 2.8466E-08 2.1349E-08 1.4233E-08 1.0675E-08 8.5423E-09 7.1164E-09 5.3373E-09 4.2698E-09 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.2411E-04 1.9394E-04 3.7269E-04 5.9532E-04 8.5460E-04 1.4574E-03 2.1303E-03 2.2828E-03 2.8316E-03 4.2600E-03 5.6601E-03 8.8658E-03 1.1665E-02 1.4107E-02 1.6292E-02 1.8253E-02 2.0036E-02 2.1666E-02 2.3158E-02 2.4531E-02 2.5792E-02 2.6954E-02 2.8036E-02 2.9053E-02 3.0902E-02 3.2559E-02 3.4070E-02 3.5437E-02 3.6691E-02 3.7833E-02 3.8889E-02 4.3187E-02 4.6369E-02 4.8844E-02 5.2508E-02 5.5116E-02 5.9255E-02 6.1737E-02 6.4622E-02 6.6279E-02 6.7401E-02 6.8193E-02 6.9183E-02 6.9910E-02 7.0834E-02 7.1428E-02 7.1956E-02 7.2286E-02 7.2484E-02 7.2616E-02 7.2814E-02 7.2880E-02 7.3078E-02 7.3144E-02 7.3210E-02 7.3276E-02 7.3342E-02 7.3342E-02 7.3342E-02 7.3342E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.0193E-07 3.0230E-06 1.0648E-05 4.3451E-05 8.6545E-05 1.3276E-04 1.7883E-04 2.2353E-04 2.6624E-04 3.0684E-04 3.4532E-04 3.8157E-04 4.1576E-04 4.4831E-04 4.7914E-04 5.0845E-04 5.6271E-04 6.1216E-04 6.5744E-04 6.9910E-04 7.3739E-04 7.7303E-04 8.0670E-04 9.4401E-04 1.0490E-03 1.1322E-03 1.2576E-03 1.3493E-03 1.5018E-03 1.5982E-03 1.7164E-03 1.7883E-03 1.8379E-03 1.8742E-03 1.9243E-03 1.9580E-03 2.0088E-03 2.0379E-03 2.0702E-03 2.0887E-03 2.1006E-03 2.1085E-03 2.1191E-03 2.1263E-03 2.1356E-03 2.1409E-03 2.1461E-03 2.1501E-03 2.1521E-03 2.1534E-03 2.1547E-03 2.1554E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Sr.mat0000644000276300001750000001774013136054446020354 0ustar solebliss00000000000000Sr 1 38 1.000000 5 5 3 3 9 85 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 1.9396E-03 1.9396E-03 2.0000E-03 2.0068E-03 2.0068E-03 2.1090E-03 2.2163E-03 2.2163E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 1.6105E-02 1.6105E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 6.1197E+00 2.7283E+01 6.9893E+00 5.7314E+00 5.4015E+00 5.4015E+00 5.3561E+00 5.3513E+00 5.3513E+00 5.2769E+00 5.1974E+00 5.1974E+00 4.6682E+00 4.0633E+00 3.5547E+00 3.1362E+00 2.4922E+00 2.0138E+00 1.2488E+00 1.1395E+00 1.1395E+00 8.4950E-01 4.8104E-01 3.1045E-01 2.1554E-01 1.5842E-01 9.6566E-02 6.5390E-02 3.1478E-02 1.8399E-02 1.2038E-02 8.4813E-03 6.2962E-03 4.8578E-03 3.8606E-03 3.1410E-03 2.6047E-03 2.1946E-03 1.8741E-03 1.4122E-03 1.2426E-03 1.1017E-03 8.8338E-04 7.9796E-04 7.6428E-04 5.1183E-04 4.7332E-04 4.0829E-04 3.5582E-04 3.1284E-04 2.4732E-04 2.0042E-04 1.9189E-04 1.6569E-04 1.1866E-04 8.9143E-05 5.0159E-05 3.2111E-05 2.2296E-05 1.6385E-05 1.2543E-05 9.9109E-06 8.0277E-06 6.6352E-06 5.5754E-06 4.7506E-06 4.0963E-06 3.5685E-06 3.1362E-06 2.4784E-06 2.0069E-06 1.6591E-06 1.3938E-06 1.1877E-06 1.0241E-06 8.9212E-07 5.0180E-07 3.2118E-07 2.2303E-07 1.2543E-07 8.0277E-08 3.5685E-08 2.0069E-08 8.9212E-09 5.0180E-09 3.2111E-09 2.2303E-09 1.2543E-09 8.0277E-10 3.5685E-10 2.0069E-10 8.9212E-11 5.0180E-11 3.2111E-11 2.2303E-11 1.2543E-11 8.0277E-12 3.5685E-12 2.0069E-12 8.9212E-13 5.0180E-13 3.2111E-13 2.2303E-13 1.2543E-13 8.0277E-14 INCOHERENT SCATTERING CROSS SECTION 8.4057E-03 7.6463E-03 3.9993E-03 1.3341E-02 1.7354E-02 1.7354E-02 1.7897E-02 1.7959E-02 1.7959E-02 1.8878E-02 1.9829E-02 1.9829E-02 2.6578E-02 3.4551E-02 4.1815E-02 4.8290E-02 5.9115E-02 6.7947E-02 8.4813E-02 8.7768E-02 8.7768E-02 9.6428E-02 1.1004E-01 1.1664E-01 1.1973E-01 1.2083E-01 1.2000E-01 1.1753E-01 1.0976E-01 1.0241E-01 9.5961E-02 9.0449E-02 8.5741E-02 8.1651E-02 7.8046E-02 7.4847E-02 7.1992E-02 6.9417E-02 6.7075E-02 6.2958E-02 6.1135E-02 5.9446E-02 5.6406E-02 5.5032E-02 5.4455E-02 4.9252E-02 4.8272E-02 4.6452E-02 4.4791E-02 4.3267E-02 4.0563E-02 3.8241E-02 3.7774E-02 3.6220E-02 3.2833E-02 3.0104E-02 2.5114E-02 2.1691E-02 1.9176E-02 1.7231E-02 1.5684E-02 1.4420E-02 1.3361E-02 1.2461E-02 1.1684E-02 1.1011E-02 1.0413E-02 9.8903E-03 9.4160E-03 8.6050E-03 7.9383E-03 7.3747E-03 6.8868E-03 6.4682E-03 6.1019E-03 5.7781E-03 4.5912E-03 3.8324E-03 3.3025E-03 2.6042E-03 2.1616E-03 1.5396E-03 1.2069E-03 8.5569E-04 6.6998E-04 5.5458E-04 4.7486E-04 3.7087E-04 3.0509E-04 2.1306E-04 1.6488E-04 1.1464E-04 8.8524E-05 7.2373E-05 6.1369E-05 4.7279E-05 3.8606E-05 2.6681E-05 2.0509E-05 1.4145E-05 1.0859E-05 8.8456E-06 7.4778E-06 5.7321E-06 4.6633E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 3.4874E+03 7.9378E+05 1.7867E+04 1.3409E+03 7.1548E+02 2.8578E+03 2.5843E+03 2.5664E+03 3.5726E+03 3.1838E+03 2.8372E+03 3.2358E+03 1.5210E+03 7.2579E+02 4.0221E+02 2.4640E+02 1.1244E+02 6.0654E+01 1.9458E+01 1.5911E+01 1.0962E+02 6.2916E+01 2.0970E+01 9.3885E+00 4.9699E+00 2.9348E+00 1.2646E+00 6.5362E-01 1.9567E-01 8.3438E-02 4.3453E-02 2.5760E-02 1.6720E-02 1.1602E-02 8.4721E-03 6.4448E-03 5.0671E-03 4.0874E-03 3.3658E-03 2.4135E-03 2.0970E-03 1.8484E-03 1.4657E-03 1.3066E-03 1.2420E-03 8.3851E-04 7.8108E-04 6.8256E-04 6.0263E-04 5.3766E-04 4.3935E-04 3.6894E-04 3.5609E-04 3.1648E-04 2.4451E-04 1.9787E-04 1.3210E-04 9.8284E-05 7.7940E-05 6.4400E-05 5.4805E-05 4.7657E-05 4.2132E-05 3.7740E-05 3.4173E-05 3.1210E-05 2.8715E-05 2.6592E-05 2.4757E-05 2.1746E-05 1.9389E-05 1.7492E-05 1.5932E-05 1.4619E-05 1.3512E-05 1.2557E-05 9.2854E-06 7.3610E-06 6.0977E-06 4.5389E-06 3.6145E-06 2.3952E-06 1.7911E-06 1.1904E-06 8.9143E-07 7.1273E-07 5.9342E-07 4.4468E-07 3.5561E-07 2.3691E-07 1.7767E-07 1.1842E-07 8.8799E-08 7.0998E-08 5.9177E-08 4.4379E-08 3.5499E-08 2.3664E-08 1.7746E-08 1.1835E-08 8.8731E-09 7.0998E-09 5.9163E-09 4.4372E-09 3.5499E-09 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.1327E-04 1.7734E-04 3.4197E-04 5.4785E-04 7.8847E-04 1.3501E-03 1.9781E-03 2.1203E-03 2.6331E-03 3.9724E-03 5.2895E-03 8.3095E-03 1.0956E-02 1.3272E-02 1.5341E-02 1.7196E-02 1.8887E-02 2.0427E-02 2.1836E-02 2.3128E-02 2.4324E-02 2.5416E-02 2.6440E-02 2.7396E-02 2.9142E-02 3.0709E-02 3.2138E-02 3.3430E-02 3.4613E-02 3.5698E-02 3.6695E-02 4.0764E-02 4.3781E-02 4.6132E-02 4.9609E-02 5.2077E-02 5.6008E-02 5.8352E-02 6.1087E-02 6.2661E-02 6.3692E-02 6.4435E-02 6.5424E-02 6.6063E-02 6.6991E-02 6.7493E-02 6.8036E-02 6.8332E-02 6.8517E-02 6.8648E-02 6.8799E-02 6.8936E-02 6.9074E-02 6.9143E-02 6.9211E-02 6.9280E-02 6.9280E-02 6.9349E-02 6.9349E-02 6.9349E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.0087E-07 2.9914E-06 1.0536E-05 4.2984E-05 8.5569E-05 1.3134E-04 1.7698E-04 2.2117E-04 2.6344E-04 3.0365E-04 3.4173E-04 3.7760E-04 4.1149E-04 4.4372E-04 4.7424E-04 5.0331E-04 5.5713E-04 6.0613E-04 6.5101E-04 6.9211E-04 7.3060E-04 7.6565E-04 7.9864E-04 9.3542E-04 1.0399E-03 1.1224E-03 1.2475E-03 1.3382E-03 1.4901E-03 1.5856E-03 1.7038E-03 1.7746E-03 1.8241E-03 1.8598E-03 1.9100E-03 1.9437E-03 1.9945E-03 2.0234E-03 2.0550E-03 2.0736E-03 2.0853E-03 2.0935E-03 2.1045E-03 2.1114E-03 2.1210E-03 2.1265E-03 2.1320E-03 2.1354E-03 2.1375E-03 2.1389E-03 2.1403E-03 2.1409E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Hf.mat0000644000276300001750000002174213136054446020322 0ustar solebliss00000000000000Hf 1 72 1.000000 10 5 3 3 3 3 7 3 3 8 80 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 1.6617E-03 1.6617E-03 1.6888E-03 1.7164E-03 1.7164E-03 2.0000E-03 2.1076E-03 2.1076E-03 2.2328E-03 2.3654E-03 2.3654E-03 2.4804E-03 2.6009E-03 2.6009E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 9.5607E-03 9.5607E-03 1.0000E-02 1.0739E-02 1.0739E-02 1.1002E-02 1.1271E-02 1.1271E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 6.5351E-02 6.5351E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.1134E+01 5.1636E+01 1.2286E+01 1.0658E+01 1.0490E+01 1.0490E+01 1.0461E+01 1.0432E+01 1.0432E+01 1.0145E+01 1.0031E+01 1.0031E+01 9.8945E+00 9.7574E+00 9.7574E+00 9.6485E+00 9.5347E+00 9.5347E+00 9.1231E+00 8.1582E+00 7.2810E+00 6.5083E+00 5.2431E+00 4.4772E+00 4.4772E+00 4.2916E+00 3.9981E+00 3.9981E+00 3.9028E+00 3.8092E+00 3.8092E+00 2.7717E+00 1.9576E+00 1.1573E+00 7.6048E-01 5.3747E-01 4.0285E-01 3.5156E-01 3.5156E-01 2.5305E-01 1.7349E-01 8.4753E-02 5.0474E-02 3.3573E-02 2.3941E-02 1.7918E-02 1.3907E-02 1.1106E-02 9.0725E-03 7.5498E-03 6.3801E-03 5.4621E-03 4.1334E-03 3.6439E-03 3.2364E-03 2.6026E-03 2.3533E-03 2.2548E-03 1.5162E-03 1.4032E-03 1.2118E-03 1.0571E-03 9.3013E-04 7.3628E-04 5.9719E-04 5.7188E-04 4.9404E-04 3.5423E-04 2.6630E-04 1.4997E-04 9.6056E-05 6.6703E-05 4.9023E-05 3.7552E-05 2.9664E-05 2.4029E-05 1.9859E-05 1.6687E-05 1.4221E-05 1.2261E-05 1.0682E-05 9.3897E-06 7.4193E-06 6.0090E-06 4.9664E-06 4.1736E-06 3.5561E-06 3.0656E-06 2.6705E-06 1.5021E-06 9.6157E-07 6.6770E-07 3.7552E-07 2.4036E-07 1.0682E-07 6.0090E-08 2.6705E-08 1.5021E-08 9.6123E-09 6.6770E-09 3.7552E-09 2.4036E-09 1.0682E-09 6.0090E-10 2.6705E-10 1.5021E-10 9.6123E-11 6.6770E-11 3.7552E-11 2.4036E-11 1.0682E-11 6.0090E-12 2.6705E-12 1.5021E-12 9.6123E-13 6.6770E-13 3.7552E-13 2.4036E-13 INCOHERENT SCATTERING CROSS SECTION 4.6155E-03 5.8438E-03 1.9824E-03 7.8377E-03 8.8532E-03 8.8532E-03 9.0226E-03 9.1940E-03 9.1940E-03 1.0908E-02 1.1566E-02 1.1566E-02 1.2327E-02 1.3128E-02 1.3128E-02 1.3820E-02 1.4542E-02 1.4542E-02 1.6897E-02 2.2568E-02 2.7875E-02 3.2781E-02 4.1364E-02 4.7066E-02 4.7066E-02 4.8551E-02 5.0946E-02 5.0946E-02 5.1770E-02 5.2600E-02 5.2600E-02 6.2755E-02 7.3417E-02 8.7486E-02 9.5212E-02 9.9464E-02 1.0176E-01 1.0250E-01 1.0250E-01 1.0328E-01 1.0264E-01 9.7844E-02 9.2210E-02 8.6989E-02 8.2391E-02 7.8376E-02 7.4834E-02 7.1679E-02 6.8862E-02 6.6335E-02 6.4037E-02 6.1927E-02 5.8197E-02 5.6547E-02 5.5021E-02 5.2253E-02 5.0980E-02 5.0440E-02 4.5683E-02 4.4783E-02 4.3102E-02 4.1567E-02 4.0165E-02 3.7683E-02 3.5528E-02 3.5089E-02 3.3635E-02 3.0495E-02 2.7973E-02 2.3348E-02 2.0166E-02 1.7828E-02 1.6026E-02 1.4586E-02 1.3408E-02 1.2423E-02 1.1589E-02 1.0867E-02 1.0240E-02 9.6866E-03 9.1973E-03 8.7587E-03 8.0030E-03 7.3822E-03 6.8558E-03 6.4071E-03 6.0157E-03 5.6750E-03 5.3747E-03 4.2714E-03 3.5662E-03 3.0713E-03 2.4221E-03 2.0105E-03 1.4319E-03 1.1225E-03 7.9557E-04 6.2317E-04 5.1587E-04 4.4165E-04 3.4482E-04 2.8378E-04 1.9818E-04 1.5338E-04 1.0665E-04 8.2324E-05 6.7310E-05 5.7087E-05 4.3962E-05 3.5899E-05 2.4815E-05 1.9076E-05 1.3155E-05 1.0102E-05 8.2257E-06 6.9537E-06 5.3308E-06 4.3389E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 3.3243E+03 3.3095E+05 1.3279E+04 1.4785E+03 1.1923E+03 1.4764E+03 2.1820E+03 3.2224E+03 3.6337E+03 3.5865E+03 3.1428E+03 3.6472E+03 3.1729E+03 2.7595E+03 2.9333E+03 2.6275E+03 2.3537E+03 2.4559E+03 1.7592E+03 8.7756E+02 5.0407E+02 3.1789E+02 1.5179E+02 9.5449E+01 2.5116E+02 2.2578E+02 1.8540E+02 2.5487E+02 2.4037E+02 2.2669E+02 2.6209E+02 1.2612E+02 5.8841E+01 1.9738E+01 8.9713E+00 4.8416E+00 2.9154E+00 2.2970E+00 1.1910E+01 6.9942E+00 3.8767E+00 1.2946E+00 5.9111E-01 3.2347E-01 1.9913E-01 1.3315E-01 9.4639E-02 7.0496E-02 5.4489E-02 4.3388E-02 3.5393E-02 2.9452E-02 2.1400E-02 1.8604E-02 1.6350E-02 1.2972E-02 1.1684E-02 1.1181E-02 7.5374E-03 6.9984E-03 6.0964E-03 5.3747E-03 4.7868E-03 3.8945E-03 3.2565E-03 3.1405E-03 2.7822E-03 2.1304E-03 1.7096E-03 1.1232E-03 8.2560E-04 6.4813E-04 5.3173E-04 4.4975E-04 3.8935E-04 3.4279E-04 3.0591E-04 2.7612E-04 2.5156E-04 2.3095E-04 2.1340E-04 1.9832E-04 1.7369E-04 1.5446E-04 1.3904E-04 1.2642E-04 1.1586E-04 1.0692E-04 9.9295E-05 7.3079E-05 5.7796E-05 4.7809E-05 3.5494E-05 2.8236E-05 1.8678E-05 1.3955E-05 9.2648E-06 6.9368E-06 5.5434E-06 4.6155E-06 3.4583E-06 2.7643E-06 1.8415E-06 1.3806E-06 9.2007E-07 6.8997E-07 5.5198E-07 4.5987E-07 3.4482E-07 2.7585E-07 1.8388E-07 1.3789E-07 9.1940E-08 6.8963E-08 5.5164E-08 4.5953E-08 3.4482E-08 2.7579E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 3.0851E-04 4.8156E-04 9.1697E-04 1.4386E-03 2.0135E-03 3.2385E-03 4.4941E-03 4.7707E-03 5.7413E-03 8.1249E-03 1.0341E-02 1.5233E-02 1.9350E-02 2.2885E-02 2.6006E-02 2.8813E-02 3.1364E-02 3.3706E-02 3.5865E-02 3.7889E-02 3.9779E-02 4.1533E-02 4.3153E-02 4.4671E-02 4.7404E-02 4.9867E-02 5.2094E-02 5.4084E-02 5.5940E-02 5.7627E-02 5.9213E-02 6.5556E-02 7.0279E-02 7.3957E-02 7.9355E-02 8.3167E-02 8.9173E-02 9.2749E-02 9.6899E-02 9.9261E-02 1.0081E-01 1.0193E-01 1.0341E-01 1.0436E-01 1.0574E-01 1.0648E-01 1.0729E-01 1.0773E-01 1.0800E-01 1.0820E-01 1.0844E-01 1.0861E-01 1.0881E-01 1.0894E-01 1.0905E-01 1.0911E-01 1.0918E-01 1.0918E-01 1.0921E-01 1.0925E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.3750E-08 2.7779E-06 9.7777E-06 3.9846E-05 7.9287E-05 1.2156E-04 1.6364E-04 2.0429E-04 2.4313E-04 2.7997E-04 3.1479E-04 3.4752E-04 3.7856E-04 4.0757E-04 4.3557E-04 4.6155E-04 5.1048E-04 5.5434E-04 5.9482E-04 6.3160E-04 6.6568E-04 6.9705E-04 7.2641E-04 8.4686E-04 9.3728E-04 1.0085E-03 1.1151E-03 1.1920E-03 1.3182E-03 1.3961E-03 1.4909E-03 1.5476E-03 1.5857E-03 1.6141E-03 1.6526E-03 1.6782E-03 1.7163E-03 1.7379E-03 1.7615E-03 1.7754E-03 1.7838E-03 1.7899E-03 1.7976E-03 1.8027E-03 1.8094E-03 1.8135E-03 1.8172E-03 1.8196E-03 1.8209E-03 1.8219E-03 1.8229E-03 1.8236E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Ac.mat0000644000276300001750000002252613136054446020311 0ustar solebliss00000000000000Ac 1 89 1.000000 12 4 3 5 3 3 3 3 6 3 3 9 78 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.0800E-03 1.0800E-03 1.1707E-03 1.2690E-03 1.2690E-03 1.5000E-03 2.0000E-03 3.0000E-03 3.2190E-03 3.2190E-03 3.2937E-03 3.3702E-03 3.3702E-03 3.6296E-03 3.9090E-03 3.9090E-03 4.0000E-03 4.6560E-03 4.6560E-03 5.0000E-03 5.0020E-03 5.0020E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 1.5871E-02 1.5871E-02 1.7403E-02 1.9083E-02 1.9083E-02 1.9458E-02 1.9840E-02 1.9840E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.0676E-01 1.0676E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.3260E+01 1.6719E+02 1.5090E+01 1.3162E+01 1.3162E+01 1.3053E+01 1.2931E+01 1.2931E+01 1.2629E+01 1.1982E+01 1.0740E+01 1.0486E+01 1.0486E+01 1.0400E+01 1.0313E+01 1.0313E+01 1.0023E+01 9.7191E+00 9.7191E+00 9.6236E+00 8.9684E+00 8.9684E+00 8.6475E+00 8.6475E+00 8.6475E+00 7.8066E+00 6.4326E+00 5.3768E+00 3.6314E+00 3.4139E+00 3.4139E+00 3.0723E+00 2.7534E+00 2.7534E+00 2.6895E+00 2.6266E+00 2.6266E+00 2.6009E+00 1.5311E+00 1.0289E+00 7.3901E-01 5.5492E-01 3.4855E-01 2.4165E-01 2.1656E-01 2.1656E-01 1.2032E-01 7.1965E-02 4.8083E-02 3.4484E-02 2.5961E-02 2.0253E-02 1.6236E-02 1.3305E-02 1.1102E-02 9.4035E-03 8.0660E-03 6.1235E-03 5.4060E-03 4.8081E-03 3.8752E-03 3.5067E-03 3.3608E-03 2.2674E-03 2.0996E-03 1.8153E-03 1.5849E-03 1.3958E-03 1.1066E-03 8.9843E-04 8.6050E-04 7.4378E-04 5.3401E-04 4.0187E-04 2.2658E-04 1.4520E-04 1.0090E-04 7.4167E-05 5.6792E-05 4.4882E-05 3.6367E-05 3.0054E-05 2.5255E-05 2.1521E-05 1.8558E-05 1.6168E-05 1.4210E-05 1.1228E-05 9.0958E-06 7.5175E-06 6.3158E-06 5.3821E-06 4.6394E-06 4.0426E-06 2.2741E-06 1.4555E-06 1.0106E-06 5.6845E-07 3.6394E-07 1.6170E-07 9.0958E-08 4.0426E-08 2.2738E-08 1.4552E-08 1.0106E-08 5.6845E-09 3.6394E-09 1.6170E-09 9.0958E-10 4.0426E-10 2.2738E-10 1.4552E-10 1.0106E-10 5.6845E-11 3.6394E-11 1.6170E-11 9.0958E-12 4.0426E-12 2.2738E-12 1.4552E-12 1.0106E-12 5.6845E-13 3.6394E-13 INCOHERENT SCATTERING CROSS SECTION 4.8728E-03 5.7778E+10 4.8971E-03 5.3768E-03 5.3768E-03 5.9260E-03 6.5095E-03 6.5095E-03 7.9100E-03 1.0878E-02 1.6616E-02 1.7836E-02 1.7836E-02 1.8247E-02 1.8664E-02 1.8664E-02 2.0050E-02 2.1505E-02 2.1505E-02 2.1966E-02 2.5176E-02 2.5176E-02 2.6765E-02 2.6765E-02 2.6765E-02 3.1035E-02 3.8542E-02 4.5227E-02 5.8437E-02 6.0294E-02 6.0294E-02 6.3235E-02 6.6182E-02 6.6182E-02 6.6818E-02 6.7429E-02 6.7429E-02 6.7668E-02 8.0055E-02 8.7695E-02 9.2310E-02 9.4990E-02 9.7032E-02 9.6926E-02 9.6608E-02 9.6608E-02 9.3186E-02 8.8278E-02 8.3545E-02 7.9286E-02 7.5519E-02 7.2177E-02 6.9196E-02 6.6527E-02 6.4124E-02 6.1938E-02 5.9932E-02 5.6368E-02 5.4776E-02 5.3292E-02 5.0620E-02 4.9418E-02 4.8914E-02 4.4325E-02 4.3452E-02 4.1828E-02 4.0346E-02 3.8988E-02 3.6575E-02 3.4484E-02 3.4059E-02 3.2652E-02 2.9608E-02 2.7163E-02 2.2680E-02 1.9595E-02 1.7321E-02 1.5571E-02 1.4173E-02 1.3030E-02 1.2072E-02 1.1260E-02 1.0560E-02 9.9499E-03 9.4141E-03 8.9366E-03 8.5095E-03 7.7774E-03 7.1726E-03 6.6633E-03 6.2256E-03 5.8463E-03 5.5148E-03 5.2230E-03 4.1513E-03 3.4643E-03 2.9842E-03 2.3542E-03 1.9539E-03 1.3916E-03 1.0910E-03 7.7323E-04 6.0559E-04 5.0134E-04 4.2919E-04 3.3529E-04 2.7587E-04 1.9261E-04 1.4908E-04 1.0366E-04 8.0002E-05 6.5413E-05 5.5466E-05 4.2733E-05 3.4882E-05 2.4115E-05 1.8539E-05 1.2786E-05 9.8173E-06 7.9923E-06 6.7562E-06 5.1805E-06 4.2150E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 6.4564E+03 4.2975E+05 2.2846E+04 5.6102E+03 5.6898E+03 4.8839E+03 4.1911E+03 4.2760E+03 3.0691E+03 1.6836E+03 6.8729E+02 5.8543E+02 1.5258E+03 1.4061E+03 1.2961E+03 1.8818E+03 1.5559E+03 1.2868E+03 1.4947E+03 1.4165E+03 9.6555E+02 1.0250E+03 8.5997E+02 8.5918E+02 8.9658E+02 5.7508E+02 2.8144E+02 1.5990E+02 5.6315E+01 4.8649E+01 1.1791E+02 9.1779E+01 7.1434E+01 1.0083E+02 9.5938E+01 9.1329E+01 1.0510E+02 1.0348E+02 3.6500E+01 1.7112E+01 9.4379E+00 5.7827E+00 2.6553E+00 1.4473E+00 1.2114E+00 5.3079E+00 2.2202E+00 1.0528E+00 5.9188E-01 3.7216E-01 2.5313E-01 1.8247E-01 1.3753E-01 1.0735E-01 8.6174E-02 7.0771E-02 5.9231E-02 4.3410E-02 3.7853E-02 3.3342E-02 2.6540E-02 2.3940E-02 2.2924E-02 1.5486E-02 1.4373E-02 1.2507E-02 1.1014E-02 9.8012E-03 7.9662E-03 6.6554E-03 6.4166E-03 5.6791E-03 4.3357E-03 3.4696E-03 2.2669E-03 1.6584E-03 1.2979E-03 1.0616E-03 8.9578E-04 7.7376E-04 6.8013E-04 6.0638E-04 5.4670E-04 4.9736E-04 4.5625E-04 4.2123E-04 3.9126E-04 3.4218E-04 3.0399E-04 2.7348E-04 2.4842E-04 2.2754E-04 2.0990E-04 1.9478E-04 1.4313E-04 1.1308E-04 9.3451E-05 6.9339E-05 5.5121E-05 3.6447E-05 2.7216E-05 1.8062E-05 1.3515E-05 1.0799E-05 8.9923E-06 6.7349E-06 5.3848E-06 3.5863E-06 2.6897E-06 1.7921E-06 1.3438E-06 1.0748E-06 8.9552E-07 6.7164E-07 5.3715E-07 3.5810E-07 2.6871E-07 1.7905E-07 1.3430E-07 1.0743E-07 8.9525E-08 6.7137E-08 5.3715E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 4.2919E-04 6.8114E-04 1.3252E-03 2.0948E-03 2.9198E-03 4.5793E-03 6.1859E-03 6.5360E-03 7.7411E-03 1.0557E-02 1.3051E-02 1.8422E-02 2.2908E-02 2.6765E-02 3.0160E-02 3.3237E-02 3.6049E-02 3.8648E-02 4.1036E-02 4.3290E-02 4.5359E-02 4.7322E-02 4.9153E-02 5.0850E-02 5.3954E-02 5.6713E-02 5.9206E-02 6.1514E-02 6.3609E-02 6.5519E-02 6.7296E-02 7.4485E-02 7.9843E-02 8.3981E-02 9.0082E-02 9.4379E-02 1.0117E-01 1.0520E-01 1.0990E-01 1.1260E-01 1.1435E-01 1.1563E-01 1.1730E-01 1.1839E-01 1.1998E-01 1.2083E-01 1.2175E-01 1.2226E-01 1.2258E-01 1.2279E-01 1.2308E-01 1.2327E-01 1.2351E-01 1.2364E-01 1.2380E-01 1.2388E-01 1.2390E-01 1.2393E-01 1.2398E-01 1.2401E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.0981E-08 2.6961E-06 9.4910E-06 3.8675E-05 7.6899E-05 1.1785E-04 1.5855E-04 1.9786E-04 2.3537E-04 2.7083E-04 3.0452E-04 3.3608E-04 3.6579E-04 3.9391E-04 4.2044E-04 4.4564E-04 4.9232E-04 5.3450E-04 5.7296E-04 6.0824E-04 6.4087E-04 6.7084E-04 6.9869E-04 8.1302E-04 8.9870E-04 9.6634E-04 1.0669E-03 1.1396E-03 1.2581E-03 1.3319E-03 1.4213E-03 1.4746E-03 1.5109E-03 1.5374E-03 1.5741E-03 1.5985E-03 1.6348E-03 1.6555E-03 1.6780E-03 1.6913E-03 1.6995E-03 1.7051E-03 1.7128E-03 1.7176E-03 1.7242E-03 1.7282E-03 1.7319E-03 1.7343E-03 1.7356E-03 1.7364E-03 1.7375E-03 1.7382E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/In.mat0000644000276300001750000001774013136054446020336 0ustar solebliss00000000000000In 1 49 1.000000 5 7 3 3 8 84 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 3.0000E-03 3.7301E-03 3.7301E-03 3.8326E-03 3.9380E-03 3.9380E-03 4.0000E-03 4.2375E-03 4.2375E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 2.7940E-02 2.7940E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 7.9512E+00 4.4245E+01 8.9439E+00 7.5368E+00 7.0858E+00 6.1942E+00 5.5963E+00 5.5963E+00 5.5154E+00 5.4337E+00 5.4337E+00 5.3865E+00 5.2118E+00 5.2118E+00 4.6910E+00 4.1057E+00 3.2256E+00 2.6250E+00 1.7271E+00 1.2095E+00 7.5473E-01 7.5473E-01 6.8078E-01 4.4440E-01 3.1459E-01 2.3355E-01 1.4287E-01 9.6715E-02 4.6973E-02 2.7703E-02 1.8218E-02 1.2876E-02 9.5816E-03 7.4057E-03 5.8929E-03 4.7996E-03 3.9844E-03 3.3604E-03 2.8719E-03 2.1670E-03 1.9081E-03 1.6929E-03 1.3587E-03 1.2273E-03 1.1754E-03 7.8830E-04 7.2912E-04 6.2897E-04 5.4809E-04 4.8191E-04 3.8111E-04 3.0897E-04 2.9586E-04 2.5551E-04 1.8304E-04 1.3752E-04 7.7414E-05 4.9543E-05 3.4411E-05 2.5285E-05 1.9359E-05 1.5294E-05 1.2388E-05 1.0238E-05 8.6068E-06 7.3323E-06 6.3200E-06 5.5071E-06 4.8405E-06 3.8245E-06 3.0976E-06 2.5600E-06 2.1514E-06 1.8331E-06 1.5808E-06 1.3768E-06 7.7466E-07 4.9564E-07 3.4422E-07 1.9359E-07 1.2394E-07 5.5071E-08 3.0976E-08 1.3768E-08 7.7466E-09 4.9564E-09 3.4417E-09 1.9359E-09 1.2388E-09 5.5071E-10 3.0976E-10 1.3768E-10 7.7466E-11 4.9564E-11 3.4417E-11 1.9359E-11 1.2388E-11 5.5071E-12 3.0976E-12 1.3768E-12 7.7466E-13 4.9564E-13 3.4417E-13 1.9359E-13 1.2388E-13 INCOHERENT SCATTERING CROSS SECTION 5.4546E-03 8.8458E-03 2.1252E-03 9.8708E-03 1.4172E-02 2.2039E-02 2.7299E-02 2.7299E-02 2.8011E-02 2.8737E-02 2.8737E-02 2.9161E-02 3.0761E-02 3.0761E-02 3.5675E-02 4.1681E-02 5.2449E-02 6.1784E-02 7.8620E-02 8.9530E-02 1.0060E-01 1.0060E-01 1.0264E-01 1.0951E-01 1.1308E-01 1.1476E-01 1.1497E-01 1.1318E-01 1.0642E-01 9.9600E-02 9.3586E-02 8.8376E-02 8.3856E-02 7.9931E-02 7.6497E-02 7.3428E-02 7.0645E-02 6.8131E-02 6.5860E-02 6.1858E-02 6.0053E-02 5.8358E-02 5.5359E-02 5.4074E-02 5.3550E-02 4.8426E-02 4.7451E-02 4.5665E-02 4.4046E-02 4.2557E-02 3.9904E-02 3.7616E-02 3.7155E-02 3.5622E-02 3.2292E-02 2.9612E-02 2.4708E-02 2.1341E-02 1.8866E-02 1.6957E-02 1.5430E-02 1.4187E-02 1.3144E-02 1.2262E-02 1.1497E-02 1.0831E-02 1.0248E-02 9.7292E-03 9.2676E-03 8.4704E-03 7.8096E-03 7.2536E-03 6.7763E-03 6.3672E-03 6.0054E-03 5.6854E-03 4.5179E-03 3.7710E-03 3.2492E-03 2.5626E-03 2.1268E-03 1.5147E-03 1.1874E-03 8.4180E-04 6.5928E-04 5.4599E-04 4.6726E-04 3.6494E-04 3.0022E-04 2.0969E-04 1.6228E-04 1.1282E-04 8.7117E-05 7.1225E-05 6.0368E-05 4.6522E-05 3.7983E-05 2.6250E-05 2.0182E-05 1.3920E-05 1.0684E-05 8.7012E-06 7.3533E-06 5.6382E-06 4.5887E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 7.7991E+03 1.4115E+06 3.7303E+04 3.1233E+03 1.5708E+03 5.7484E+02 3.2995E+02 1.0406E+03 9.8153E+02 9.2572E+02 1.2467E+03 1.2252E+03 1.0610E+03 1.2179E+03 8.0876E+02 5.0303E+02 2.3576E+02 1.2944E+02 4.2646E+01 1.9138E+01 7.4582E+00 4.6469E+01 3.8702E+01 1.8173E+01 9.8761E+00 5.9581E+00 2.6486E+00 1.3993E+00 4.3417E-01 1.8939E-01 1.0025E-01 6.0158E-02 3.9421E-02 2.7562E-02 2.0252E-02 1.5483E-02 1.2222E-02 9.8918E-03 8.1680E-03 5.8772E-03 5.1090E-03 4.5028E-03 3.5717E-03 3.1889E-03 3.0341E-03 2.0465E-03 1.9049E-03 1.6626E-03 1.4665E-03 1.3071E-03 1.0662E-03 8.9372E-04 8.6225E-04 7.6524E-04 5.8903E-04 4.7513E-04 3.1532E-04 2.3350E-04 1.8446E-04 1.5205E-04 1.2908E-04 1.1203E-04 9.8918E-05 8.8481E-05 8.0036E-05 7.3008E-05 6.7134E-05 6.2099E-05 5.7798E-05 5.0718E-05 4.5179E-05 4.0721E-05 3.7060E-05 3.4002E-05 3.1411E-05 2.9182E-05 2.1535E-05 1.7061E-05 1.4124E-05 1.0505E-05 8.3655E-06 5.5386E-06 4.1403E-06 2.7509E-06 2.0597E-06 1.6458E-06 1.3710E-06 1.0269E-06 8.2134E-07 5.4704E-07 4.1025E-07 2.7341E-07 2.0502E-07 1.6401E-07 1.3668E-07 1.0248E-07 8.1977E-08 5.4651E-08 4.0989E-08 2.7326E-08 2.0492E-08 1.6395E-08 1.3663E-08 1.0248E-08 8.1977E-09 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.6852E-04 2.6161E-04 4.9672E-04 7.8463E-04 1.1145E-03 1.8665E-03 2.6943E-03 2.8815E-03 3.5506E-03 5.2612E-03 6.9127E-03 1.0679E-02 1.3936E-02 1.6747E-02 1.9254E-02 2.1509E-02 2.3560E-02 2.5432E-02 2.7163E-02 2.8758E-02 3.0237E-02 3.1595E-02 3.2854E-02 3.4029E-02 3.6174E-02 3.8093E-02 3.9835E-02 4.1413E-02 4.2856E-02 4.4177E-02 4.5399E-02 5.0345E-02 5.4022E-02 5.6854E-02 6.1102E-02 6.4092E-02 6.8865E-02 7.1697E-02 7.5001E-02 7.6889E-02 7.8148E-02 7.9040E-02 8.0246E-02 8.1033E-02 8.2134E-02 8.2764E-02 8.3393E-02 8.3760E-02 8.3970E-02 8.4127E-02 8.4337E-02 8.4495E-02 8.4652E-02 8.4757E-02 8.4862E-02 8.4914E-02 8.4914E-02 8.4967E-02 8.4967E-02 8.5019E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.9175E-08 2.9410E-06 1.0359E-05 4.2258E-05 8.4127E-05 1.2908E-04 1.7381E-04 2.1714E-04 2.5857E-04 2.9796E-04 3.3520E-04 3.7029E-04 4.0338E-04 4.3485E-04 4.6459E-04 4.9291E-04 5.4546E-04 5.9319E-04 6.3672E-04 6.7659E-04 7.1330E-04 7.4792E-04 7.7991E-04 9.1156E-04 1.0117E-03 1.0915E-03 1.2110E-03 1.2976E-03 1.4418E-03 1.5315E-03 1.6416E-03 1.7077E-03 1.7528E-03 1.7859E-03 1.8315E-03 1.8619E-03 1.9076E-03 1.9333E-03 1.9610E-03 1.9773E-03 1.9873E-03 1.9946E-03 2.0041E-03 2.0098E-03 2.0182E-03 2.0229E-03 2.0271E-03 2.0303E-03 2.0319E-03 2.0329E-03 2.0340E-03 2.0350E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Re.mat0000644000276300001750000002205213136054446020326 0ustar solebliss00000000000000Re 1 75 1.000000 10 5 3 3 3 3 8 3 3 8 80 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 1.8224E-03 1.8224E-03 1.8846E-03 1.9489E-03 1.9489E-03 2.0000E-03 2.3673E-03 2.3673E-03 2.5196E-03 2.6816E-03 2.6816E-03 2.8039E-03 2.9317E-03 2.9317E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.0535E-02 1.0535E-02 1.1224E-02 1.1959E-02 1.1959E-02 1.2239E-02 1.2527E-02 1.2527E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 7.1676E-02 7.1676E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.1620E+01 4.2511E+01 1.2745E+01 1.1135E+01 1.0795E+01 1.0795E+01 1.0726E+01 1.0653E+01 1.0653E+01 1.0595E+01 1.0184E+01 1.0184E+01 1.0023E+01 9.8511E+00 9.8511E+00 9.7189E+00 9.5794E+00 9.5794E+00 9.5050E+00 8.4928E+00 7.5905E+00 6.7981E+00 5.5109E+00 4.5342E+00 4.3143E+00 4.3143E+00 4.0501E+00 3.7936E+00 3.7936E+00 3.7025E+00 3.6125E+00 3.6125E+00 2.9482E+00 2.0786E+00 1.2290E+00 8.1176E-01 5.7438E-01 4.3014E-01 3.2373E-01 3.2373E-01 2.7034E-01 1.8580E-01 9.0975E-02 5.4204E-02 3.6084E-02 2.5760E-02 1.9301E-02 1.4993E-02 1.1980E-02 9.7896E-03 8.1490E-03 6.8887E-03 5.8996E-03 4.4674E-03 3.9391E-03 3.4991E-03 2.8142E-03 2.5449E-03 2.4385E-03 1.6407E-03 1.5184E-03 1.3115E-03 1.1442E-03 1.0071E-03 7.9759E-04 6.4682E-04 6.1933E-04 5.3487E-04 3.8357E-04 2.8848E-04 1.6248E-04 1.0407E-04 7.2282E-05 5.3136E-05 4.0685E-05 3.2147E-05 2.6041E-05 2.1523E-05 1.8085E-05 1.5411E-05 1.3289E-05 1.1575E-05 1.0175E-05 8.0400E-06 6.5103E-06 5.3816E-06 4.5213E-06 3.8518E-06 3.3214E-06 2.8942E-06 1.6281E-06 1.0420E-06 7.2347E-07 4.0685E-07 2.6048E-07 1.1578E-07 6.5103E-08 2.8942E-08 1.6281E-08 1.0420E-08 7.2347E-09 4.0685E-09 2.6048E-09 1.1578E-09 6.5103E-10 2.8942E-10 1.6281E-10 1.0420E-10 7.2347E-11 4.0685E-11 2.6048E-11 1.1578E-11 6.5103E-12 2.8942E-12 1.6281E-12 1.0420E-12 7.2347E-13 4.0685E-13 2.6048E-13 INCOHERENT SCATTERING CROSS SECTION 4.2076E-03 1.1121E-02 1.7526E-03 7.3447E-03 9.2787E-03 9.2787E-03 9.6482E-03 1.0029E-02 1.0029E-02 1.0330E-02 1.2477E-02 1.2477E-02 1.3339E-02 1.4249E-02 1.4249E-02 1.4941E-02 1.5663E-02 1.5663E-02 1.6044E-02 2.1513E-02 2.6720E-02 3.1636E-02 4.0362E-02 4.7671E-02 4.9417E-02 4.9417E-02 5.1583E-02 5.3783E-02 5.3783E-02 5.4592E-02 5.5400E-02 5.5400E-02 6.1707E-02 7.2121E-02 8.6124E-02 9.4016E-02 9.8382E-02 1.0081E-01 1.0210E-01 1.0210E-01 1.0242E-01 1.0194E-01 9.7347E-02 9.1816E-02 8.6668E-02 8.2114E-02 7.8125E-02 7.4611E-02 7.1490E-02 6.8692E-02 6.6166E-02 6.3874E-02 6.1784E-02 5.8089E-02 5.6435E-02 5.4890E-02 5.2112E-02 5.0872E-02 5.0355E-02 4.5601E-02 4.4701E-02 4.3027E-02 4.1494E-02 4.0076E-02 3.7565E-02 3.5446E-02 3.5025E-02 3.3613E-02 3.0477E-02 2.7930E-02 2.3308E-02 2.0136E-02 1.7801E-02 1.5999E-02 1.4563E-02 1.3389E-02 1.2406E-02 1.1572E-02 1.0850E-02 1.0223E-02 9.6732E-03 9.1816E-03 8.7450E-03 7.9915E-03 7.3705E-03 6.8466E-03 6.3971E-03 6.0057E-03 5.6662E-03 5.3654E-03 4.2626E-03 3.5608E-03 3.0669E-03 2.4188E-03 2.0074E-03 1.4295E-03 1.1209E-03 7.9462E-04 6.2224E-04 5.1519E-04 4.4113E-04 3.4443E-04 2.8337E-04 1.9790E-04 1.5317E-04 1.0650E-04 8.2211E-05 6.7205E-05 5.6985E-05 4.3919E-05 3.5866E-05 2.4777E-05 1.9049E-05 1.3137E-05 1.0084E-05 8.2114E-06 6.9436E-06 5.3233E-06 4.3305E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 3.8615E+03 3.8369E+05 1.5413E+04 1.7176E+03 1.1365E+03 1.1371E+03 1.7350E+03 2.6452E+03 2.7302E+03 3.7613E+03 2.6850E+03 3.1128E+03 2.6753E+03 2.2995E+03 2.4437E+03 2.2013E+03 1.9828E+03 2.0682E+03 1.9625E+03 9.8576E+02 5.6823E+02 3.5899E+02 1.7222E+02 9.6538E+01 8.4216E+01 2.1905E+02 1.8495E+02 1.5614E+02 2.1536E+02 2.0358E+02 1.9246E+02 2.2251E+02 1.4101E+02 6.6202E+01 2.2361E+01 1.0220E+01 5.5336E+00 3.3408E+00 2.0385E+00 1.0307E+01 7.6972E+00 4.2981E+00 1.4489E+00 6.6590E-01 3.6603E-01 2.2606E-01 1.5158E-01 1.0799E-01 8.0589E-02 6.2386E-02 4.9740E-02 4.0620E-02 3.3836E-02 2.4622E-02 2.1416E-02 1.8828E-02 1.4943E-02 1.3460E-02 1.2881E-02 8.6868E-03 8.0662E-03 7.0266E-03 6.1933E-03 5.5132E-03 4.4813E-03 3.7483E-03 3.6157E-03 3.2050E-03 2.4525E-03 1.9657E-03 1.2901E-03 9.4727E-04 7.4352E-04 6.0963E-04 5.1519E-04 4.4566E-04 3.9230E-04 3.5025E-04 3.1600E-04 2.8780E-04 2.6419E-04 2.4408E-04 2.2681E-04 1.9861E-04 1.7658E-04 1.5892E-04 1.4447E-04 1.3240E-04 1.2218E-04 1.1342E-04 8.3472E-05 6.6008E-05 5.4559E-05 4.0523E-05 3.2231E-05 2.1316E-05 1.5925E-05 1.0572E-05 7.9139E-06 6.3227E-06 5.2651E-06 3.9456E-06 3.1542E-06 2.1009E-06 1.5750E-06 1.0498E-06 7.8718E-07 6.2968E-07 5.2457E-07 3.9327E-07 3.1471E-07 2.0980E-07 1.5734E-07 1.0488E-07 7.8654E-08 6.2936E-08 5.2457E-08 3.9327E-08 3.1465E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 3.3053E-04 5.1711E-04 9.8742E-04 1.5501E-03 2.1668E-03 3.4678E-03 4.7897E-03 5.0808E-03 6.0984E-03 8.5741E-03 1.0857E-02 1.5883E-02 2.0100E-02 2.3722E-02 2.6917E-02 2.9789E-02 3.2406E-02 3.4799E-02 3.7031E-02 3.9100E-02 4.1008E-02 4.2820E-02 4.4501E-02 4.6054E-02 4.8900E-02 5.1422E-02 5.3686E-02 5.5756E-02 5.7664E-02 5.9411E-02 6.1028E-02 6.7560E-02 7.2444E-02 7.6228E-02 8.1758E-02 8.5672E-02 9.1849E-02 9.5503E-02 9.9772E-02 1.0220E-01 1.0378E-01 1.0491E-01 1.0643E-01 1.0740E-01 1.0883E-01 1.0960E-01 1.1041E-01 1.1087E-01 1.1116E-01 1.1135E-01 1.1161E-01 1.1177E-01 1.1200E-01 1.1209E-01 1.1222E-01 1.1229E-01 1.1235E-01 1.1235E-01 1.1242E-01 1.1242E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.3565E-08 2.7727E-06 9.7605E-06 3.9780E-05 7.9139E-05 1.2134E-04 1.6329E-04 2.0385E-04 2.4259E-04 2.7933E-04 3.1406E-04 3.4670E-04 3.7742E-04 4.0685E-04 4.3434E-04 4.6054E-04 5.0905E-04 5.5271E-04 5.9281E-04 6.2968E-04 6.6364E-04 6.9469E-04 7.2379E-04 8.4346E-04 9.3336E-04 1.0042E-03 1.1099E-03 1.1863E-03 1.3108E-03 1.3881E-03 1.4815E-03 1.5372E-03 1.5750E-03 1.6025E-03 1.6403E-03 1.6656E-03 1.7028E-03 1.7238E-03 1.7467E-03 1.7603E-03 1.7684E-03 1.7742E-03 1.7820E-03 1.7868E-03 1.7933E-03 1.7972E-03 1.8008E-03 1.8033E-03 1.8046E-03 1.8056E-03 1.8062E-03 1.8072E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Kr.mat0000644000276300001750000002005013136054446020330 0ustar solebliss00000000000000Kr 1 36 1.000000 5 5 3 3 9 86 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 1.6749E-03 1.6749E-03 1.7008E-03 1.7272E-03 1.7272E-03 1.8215E-03 1.9210E-03 1.9210E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.4326E-02 1.4326E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 5.8978E+00 5.2605E+01 6.7108E+00 5.5809E+00 5.4537E+00 5.4537E+00 5.4343E+00 5.4149E+00 5.4149E+00 5.3480E+00 5.2769E+00 5.2769E+00 5.2173E+00 4.4936E+00 3.8799E+00 3.3862E+00 2.9823E+00 2.3521E+00 1.8792E+00 1.2174E+00 1.2174E+00 1.1477E+00 7.8115E-01 4.4225E-01 2.8364E-01 1.9633E-01 1.4416E-01 8.7960E-02 5.9510E-02 2.8566E-02 1.6665E-02 1.0897E-02 7.6750E-03 5.6946E-03 4.3916E-03 3.4889E-03 2.8379E-03 2.3528E-03 1.9820E-03 1.6923E-03 1.2750E-03 1.1218E-03 9.9456E-04 7.9732E-04 7.2007E-04 6.8960E-04 4.6179E-04 4.2705E-04 3.6838E-04 3.2101E-04 2.8223E-04 2.2312E-04 1.8081E-04 1.7312E-04 1.4947E-04 1.0705E-04 8.0415E-05 4.5245E-05 2.8961E-05 2.0115E-05 1.4775E-05 1.1311E-05 8.9398E-06 7.2438E-06 5.9848E-06 5.0290E-06 4.2852E-06 3.6952E-06 3.2188E-06 2.8293E-06 2.2349E-06 1.8102E-06 1.4962E-06 1.2576E-06 1.0715E-06 9.2344E-07 8.0487E-07 4.5259E-07 2.8968E-07 2.0115E-07 1.1318E-07 7.2438E-08 3.2188E-08 1.8102E-08 8.0487E-09 4.5259E-09 2.8968E-09 2.0115E-09 1.1318E-09 7.2438E-10 3.2188E-10 1.8102E-10 8.0487E-11 4.5259E-11 2.8968E-11 2.0115E-11 1.1318E-11 7.2438E-12 3.2188E-12 1.8102E-12 8.0487E-13 4.5259E-13 2.8968E-13 2.0115E-13 1.1318E-13 7.2438E-14 INCOHERENT SCATTERING CROSS SECTION 4.7573E-03 6.1989E-03 1.6112E-03 9.3710E-03 1.1088E-02 1.1088E-02 1.1349E-02 1.1613E-02 1.1613E-02 1.2555E-02 1.3546E-02 1.3546E-02 1.4337E-02 2.3959E-02 3.2683E-02 4.0315E-02 4.6941E-02 5.8051E-02 6.7293E-02 8.2930E-02 8.2930E-02 8.4870E-02 9.6728E-02 1.1017E-01 1.1663E-01 1.1958E-01 1.2051E-01 1.1951E-01 1.1692E-01 1.0902E-01 1.0161E-01 9.5234E-02 8.9757E-02 8.5025E-02 8.0918E-02 7.7330E-02 7.4163E-02 7.1338E-02 6.8787E-02 6.6463E-02 6.2378E-02 6.0573E-02 5.8903E-02 5.5894E-02 5.4530E-02 5.3955E-02 4.8795E-02 4.7824E-02 4.6020E-02 4.4376E-02 4.2868E-02 4.0195E-02 3.7886E-02 3.7419E-02 3.5870E-02 3.2513E-02 2.9816E-02 2.4879E-02 2.1487E-02 1.8993E-02 1.7068E-02 1.5537E-02 1.4279E-02 1.3230E-02 1.2346E-02 1.1577E-02 1.0909E-02 1.0320E-02 9.7950E-03 9.3278E-03 8.5230E-03 7.8618E-03 7.3013E-03 6.8234E-03 6.4073E-03 6.0444E-03 5.7232E-03 4.5482E-03 3.7965E-03 3.2712E-03 2.5799E-03 2.1415E-03 1.5249E-03 1.1958E-03 8.4727E-04 6.6366E-04 5.4939E-04 4.7034E-04 3.6736E-04 3.0226E-04 2.1106E-04 1.6335E-04 1.1362E-04 8.7673E-05 7.1684E-05 6.0789E-05 4.6833E-05 3.8238E-05 2.6424E-05 2.0316E-05 1.4013E-05 1.0758E-05 8.7601E-06 7.4019E-06 5.6779E-06 4.6194E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 2.8479E+03 6.7513E+05 1.4772E+04 1.0873E+03 8.3074E+02 3.9108E+03 3.5147E+03 3.1598E+03 4.5590E+03 3.9813E+03 3.4782E+03 3.9424E+03 3.5946E+03 1.3007E+03 6.1479E+02 3.3912E+02 2.0711E+02 9.4069E+01 5.0620E+01 1.8411E+01 1.3000E+02 1.1556E+02 5.4602E+01 1.7980E+01 7.9912E+00 4.2069E+00 2.4742E+00 1.0600E+00 5.4566E-01 1.6227E-01 6.8881E-02 3.5770E-02 2.1157E-02 1.3703E-02 9.4931E-03 6.9264E-03 5.2654E-03 4.1367E-03 3.3352E-03 2.7460E-03 1.9684E-03 1.7089E-03 1.5046E-03 1.1918E-03 1.0636E-03 1.0118E-03 6.8328E-04 6.3638E-04 5.5622E-04 4.9126E-04 4.3837E-04 3.5827E-04 3.0103E-04 2.9061E-04 2.5845E-04 1.9981E-04 1.6176E-04 1.0815E-04 8.0559E-05 6.3894E-05 5.2834E-05 4.4979E-05 3.9122E-05 3.4602E-05 3.1002E-05 2.8077E-05 2.5648E-05 2.3607E-05 2.1861E-05 2.0352E-05 1.7887E-05 1.5946E-05 1.4387E-05 1.3108E-05 1.2030E-05 1.1117E-05 1.0334E-05 7.6391E-06 6.0602E-06 5.0204E-06 3.7383E-06 2.9773E-06 1.9734E-06 1.4754E-06 9.8093E-07 7.3444E-07 5.8698E-07 4.8889E-07 3.6636E-07 2.9299E-07 1.9518E-07 1.4639E-07 9.7518E-08 7.3157E-08 5.8511E-08 4.8759E-08 3.6564E-08 2.9248E-08 1.9496E-08 1.4624E-08 9.7518E-09 7.3085E-09 5.8489E-09 4.8745E-09 3.6557E-09 2.9248E-09 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.0327E-04 1.6201E-04 3.1348E-04 5.0362E-04 7.2648E-04 1.2483E-03 1.8339E-03 1.9669E-03 2.4465E-03 3.7017E-03 4.9384E-03 7.7828E-03 1.0284E-02 1.2468E-02 1.4423E-02 1.6176E-02 1.7779E-02 1.9231E-02 2.0560E-02 2.1775E-02 2.2888E-02 2.3923E-02 2.4886E-02 2.5792E-02 2.7452E-02 2.8932E-02 3.0276E-02 3.1505E-02 3.2619E-02 3.3639E-02 3.4588E-02 3.8432E-02 4.1293E-02 4.3520E-02 4.6812E-02 4.9147E-02 5.2870E-02 5.5090E-02 5.7677E-02 5.9165E-02 6.0142E-02 6.0847E-02 6.1781E-02 6.2384E-02 6.3261E-02 6.3735E-02 6.4253E-02 6.4526E-02 6.4706E-02 6.4828E-02 6.4986E-02 6.5087E-02 6.5223E-02 6.5302E-02 6.5374E-02 6.5417E-02 6.5446E-02 6.5460E-02 6.5482E-02 6.5496E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.9842E-08 2.9617E-06 1.0435E-05 4.2586E-05 8.4799E-05 1.3014E-04 1.7535E-04 2.1918E-04 2.6108E-04 3.0096E-04 3.3869E-04 3.7434E-04 4.0790E-04 4.3987E-04 4.7013E-04 4.9895E-04 5.5241E-04 6.0106E-04 6.4562E-04 6.8665E-04 7.2438E-04 7.5959E-04 7.9265E-04 9.2847E-04 1.0320E-03 1.1146E-03 1.2389E-03 1.3302E-03 1.4811E-03 1.5760E-03 1.6931E-03 1.7628E-03 1.8110E-03 1.8462E-03 1.8943E-03 1.9267E-03 1.9741E-03 2.0014E-03 2.0301E-03 2.0481E-03 2.0582E-03 2.0653E-03 2.0754E-03 2.0819E-03 2.0898E-03 2.0948E-03 2.0998E-03 2.1027E-03 2.1042E-03 2.1056E-03 2.1063E-03 2.1077E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/S.mat0000644000276300001750000001666213136054446020174 0ustar solebliss00000000000000S 1 16 1.000000 2 6 92 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 2.4720E-03 2.4720E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 2.9466E+00 5.6141E+01 3.5912E+00 2.6950E+00 2.4264E+00 2.1823E+00 2.1823E+00 1.9494E+00 1.6003E+00 1.3533E+00 1.1715E+00 9.1085E-01 7.2286E-01 4.3007E-01 2.8208E-01 1.5116E-01 9.5442E-02 6.5788E-02 4.7965E-02 2.8603E-02 1.8949E-02 8.8231E-03 5.0707E-03 3.2825E-03 2.2950E-03 1.6934E-03 1.3004E-03 1.0296E-03 8.3517E-04 6.9092E-04 5.8107E-04 4.9553E-04 3.7262E-04 3.2753E-04 2.9007E-04 2.3224E-04 2.0978E-04 2.0095E-04 1.3434E-04 1.2419E-04 1.0710E-04 9.3320E-05 8.2033E-05 6.4821E-05 5.2510E-05 5.0275E-05 4.3404E-05 3.1079E-05 2.3344E-05 1.3131E-05 8.4042E-06 5.8370E-06 4.2876E-06 3.2828E-06 2.5936E-06 2.1015E-06 1.7364E-06 1.4592E-06 1.2433E-06 1.0720E-06 9.3376E-07 8.2071E-07 6.4849E-07 5.2529E-07 4.3420E-07 3.6472E-07 3.1082E-07 2.6800E-07 2.3344E-07 1.3131E-07 8.4042E-08 5.8370E-08 3.2828E-08 2.1015E-08 9.3376E-09 5.2529E-09 2.3344E-09 1.3131E-09 8.4042E-10 5.8351E-10 3.2828E-10 2.1015E-10 9.3376E-11 5.2529E-11 2.3344E-11 1.3131E-11 8.4042E-12 5.8351E-12 3.2828E-12 2.1015E-12 9.3376E-13 5.2529E-13 2.3344E-13 1.3131E-13 8.4042E-14 5.8351E-14 3.2828E-14 2.1015E-14 INCOHERENT SCATTERING CROSS SECTION 1.0110E-02 1.3225E-02 3.5376E-03 1.9513E-02 2.9166E-02 3.7711E-02 3.7711E-02 4.6369E-02 6.0022E-02 7.0727E-02 7.9460E-02 9.3583E-02 1.0502E-01 1.2540E-01 1.3721E-01 1.4788E-01 1.5146E-01 1.5210E-01 1.5124E-01 1.4739E-01 1.4254E-01 1.3064E-01 1.2059E-01 1.1235E-01 1.0551E-01 9.9738E-02 9.4785E-02 9.0472E-02 8.6672E-02 8.3289E-02 8.0249E-02 7.7494E-02 7.2679E-02 7.0558E-02 6.8596E-02 6.5063E-02 6.3459E-02 6.2783E-02 5.6754E-02 5.5620E-02 5.3510E-02 5.1590E-02 4.9835E-02 4.6727E-02 4.4040E-02 4.3496E-02 4.1690E-02 3.7786E-02 3.4650E-02 2.8903E-02 2.4959E-02 2.2067E-02 1.9832E-02 1.8048E-02 1.6591E-02 1.5372E-02 1.4337E-02 1.3447E-02 1.2667E-02 1.1984E-02 1.1377E-02 1.0834E-02 9.9029E-03 9.1311E-03 8.4812E-03 7.9253E-03 7.4427E-03 7.0201E-03 6.6483E-03 5.2829E-03 4.4096E-03 3.7993E-03 2.9955E-03 2.4865E-03 1.7710E-03 1.3886E-03 9.8428E-04 7.7075E-04 6.3816E-04 5.4632E-04 4.2669E-04 3.5101E-04 2.4508E-04 1.8968E-04 1.3193E-04 1.0183E-04 8.3254E-05 7.0596E-05 5.4388E-05 4.4416E-05 3.0687E-05 2.3588E-05 1.6273E-05 1.2495E-05 1.0173E-05 8.5996E-06 6.5938E-06 5.3656E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 2.4264E+03 1.0615E+06 1.5134E+04 8.3141E+02 3.8275E+02 2.1466E+02 2.0677E+03 1.3366E+03 6.3215E+02 3.4725E+02 2.1034E+02 9.3639E+01 4.9299E+01 1.4945E+01 6.2896E+00 1.8136E+00 7.4032E-01 3.6697E-01 2.0602E-01 8.2559E-02 4.0509E-02 1.1144E-02 4.5073E-03 2.2629E-03 1.3060E-03 8.3057E-04 5.6717E-04 4.0899E-04 3.0819E-04 2.4062E-04 1.9288E-04 1.5780E-04 1.1236E-04 9.7771E-05 8.6586E-05 6.8798E-05 6.0774E-05 5.7412E-05 3.8894E-05 3.6343E-05 3.1844E-05 2.8152E-05 2.5172E-05 2.0705E-05 1.7515E-05 1.6931E-05 1.5123E-05 1.1807E-05 9.6400E-06 6.5544E-06 4.9393E-06 3.9514E-06 3.2903E-06 2.8152E-06 2.4602E-06 2.1823E-06 1.9626E-06 1.7809E-06 1.6305E-06 1.5034E-06 1.3946E-06 1.3005E-06 1.1456E-06 1.0235E-06 9.2494E-07 8.4381E-07 7.7544E-07 7.1760E-07 6.6764E-07 4.9524E-07 3.9345E-07 3.2640E-07 2.4339E-07 1.9419E-07 1.2882E-07 9.6400E-08 6.4116E-08 4.8040E-08 3.8406E-08 3.1983E-08 2.3983E-08 1.9175E-08 1.2776E-08 9.5799E-09 6.3854E-09 4.7890E-09 3.8312E-09 3.1927E-09 2.3945E-09 1.9156E-09 1.2767E-09 9.5743E-10 6.3835E-10 4.7871E-10 3.8293E-10 3.1908E-10 2.3926E-10 1.9156E-10 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 4.1092E-05 6.6121E-05 1.3339E-04 2.2105E-04 3.2601E-04 5.7676E-04 8.6653E-04 9.3395E-04 1.1783E-03 1.8192E-03 2.4546E-03 3.9589E-03 5.2942E-03 6.4905E-03 7.5554E-03 8.5132E-03 9.3808E-03 1.0168E-02 1.0881E-02 1.1537E-02 1.2145E-02 1.2709E-02 1.3236E-02 1.3732E-02 1.4639E-02 1.5449E-02 1.6183E-02 1.6850E-02 1.7460E-02 1.8022E-02 1.8542E-02 2.0696E-02 2.2292E-02 2.3551E-02 2.5410E-02 2.6743E-02 2.8922E-02 3.0237E-02 3.1814E-02 3.2734E-02 3.3335E-02 3.3786E-02 3.4368E-02 3.4744E-02 3.5307E-02 3.5626E-02 3.5946E-02 3.6134E-02 3.6246E-02 3.6321E-02 3.6434E-02 3.6490E-02 3.6584E-02 3.6622E-02 3.6678E-02 3.6716E-02 3.6735E-02 3.6735E-02 3.6753E-02 3.6753E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.1596E-07 3.4408E-06 1.2125E-05 4.9505E-05 9.8635E-05 1.5148E-04 2.0414E-04 2.5541E-04 3.0443E-04 3.5119E-04 3.9552E-04 4.3721E-04 4.7684E-04 5.1458E-04 5.5027E-04 5.8426E-04 6.4755E-04 7.0539E-04 7.5854E-04 8.0775E-04 8.5320E-04 8.9545E-04 9.3508E-04 1.1005E-03 1.2282E-03 1.3308E-03 1.4880E-03 1.6046E-03 1.8027E-03 1.9306E-03 2.0903E-03 2.1898E-03 2.2593E-03 2.3100E-03 2.3814E-03 2.4283E-03 2.4997E-03 2.5410E-03 2.5861E-03 2.6124E-03 2.6274E-03 2.6387E-03 2.6537E-03 2.6649E-03 2.6781E-03 2.6856E-03 2.6931E-03 2.6969E-03 2.7006E-03 2.7025E-03 2.7044E-03 2.7063E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Mg.mat0000644000276300001750000001666213136054446020335 0ustar solebliss00000000000000Mg 1 12 1.000000 2 4 94 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.3050E-03 1.3050E-03 1.5000E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 2.1457E+00 6.0692E+01 2.6520E+00 2.0300E+00 2.0300E+00 1.9562E+00 1.7805E+00 1.4993E+00 1.2785E+00 1.0909E+00 9.2965E-01 6.8039E-01 5.1165E-01 2.8841E-01 1.8799E-01 1.0050E-01 6.2612E-02 4.2543E-02 3.0724E-02 1.8152E-02 1.1967E-02 5.5229E-03 3.1566E-03 2.0365E-03 1.4207E-03 1.0468E-03 8.0303E-04 6.3538E-04 5.1512E-04 4.2593E-04 3.5803E-04 3.0521E-04 2.2943E-04 2.0169E-04 1.7866E-04 1.4304E-04 1.2914E-04 1.2366E-04 8.2682E-05 7.6448E-05 6.5930E-05 5.7434E-05 5.0464E-05 3.9853E-05 3.2310E-05 3.0947E-05 2.6741E-05 1.9142E-05 1.4363E-05 8.0799E-06 5.1710E-06 3.5902E-06 2.6388E-06 2.0201E-06 1.5962E-06 1.2929E-06 1.0684E-06 8.9768E-07 7.6488E-07 6.5957E-07 5.7459E-07 5.0496E-07 3.9892E-07 3.2334E-07 2.6710E-07 2.2446E-07 1.9126E-07 1.6489E-07 1.4363E-07 8.0799E-08 5.1710E-08 3.5902E-08 2.0199E-08 1.2926E-08 5.7459E-09 3.2310E-09 1.4363E-09 8.0799E-10 5.1710E-10 3.5902E-10 2.0199E-10 1.2926E-10 5.7459E-11 3.2310E-11 1.4363E-11 8.0799E-12 5.1710E-12 3.5902E-12 2.0198E-12 1.2926E-12 5.7459E-13 3.2310E-13 1.4363E-13 8.0799E-14 5.1710E-14 3.5902E-14 2.0199E-14 1.2926E-14 INCOHERENT SCATTERING CROSS SECTION 1.5431E-02 3.8208E+00 7.7386E-03 2.1717E-02 2.1717E-02 2.5347E-02 3.3103E-02 4.5615E-02 5.7260E-02 6.8435E-02 7.8866E-02 9.6805E-02 1.1068E-01 1.3177E-01 1.4225E-01 1.5151E-01 1.5436E-01 1.5431E-01 1.5280E-01 1.4802E-01 1.4262E-01 1.3006E-01 1.1982E-01 1.1150E-01 1.0463E-01 9.8868E-02 9.3931E-02 8.9637E-02 8.5854E-02 8.2485E-02 7.9461E-02 7.6725E-02 7.1950E-02 6.9847E-02 6.7902E-02 6.4399E-02 6.2811E-02 6.2142E-02 5.6170E-02 5.5048E-02 5.2962E-02 5.1066E-02 4.9334E-02 4.6259E-02 4.3583E-02 4.3038E-02 4.1240E-02 3.7385E-02 3.4292E-02 2.8593E-02 2.4701E-02 2.1831E-02 1.9621E-02 1.7860E-02 1.6417E-02 1.5211E-02 1.4188E-02 1.3305E-02 1.2535E-02 1.1858E-02 1.1256E-02 1.0721E-02 9.7994E-03 9.0363E-03 8.3921E-03 7.8420E-03 7.3638E-03 6.9476E-03 6.5784E-03 5.2280E-03 4.3633E-03 3.7587E-03 2.9658E-03 2.4609E-03 1.7525E-03 1.3739E-03 9.7400E-04 7.6265E-04 6.3133E-04 5.4064E-04 4.2221E-04 3.4738E-04 2.4257E-04 1.8774E-04 1.3055E-04 1.0077E-04 8.2385E-05 6.9872E-05 5.3816E-05 4.3955E-05 3.0377E-05 2.3350E-05 1.6103E-05 1.2361E-05 1.0067E-05 8.5110E-06 6.5264E-06 5.3098E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 9.2023E+02 4.3917E+05 5.8917E+03 4.5095E+02 5.4411E+03 4.0015E+03 1.9299E+03 6.5685E+02 2.9609E+02 1.5711E+02 9.2791E+01 3.9817E+01 2.0434E+01 5.9367E+00 2.4329E+00 6.7840E-01 2.7106E-01 1.3236E-01 7.3465E-02 2.8940E-02 1.4026E-02 3.7860E-03 1.5144E-03 7.5436E-04 4.3286E-04 2.7414E-04 1.8667E-04 1.3437E-04 1.0114E-04 7.8905E-05 6.3157E-05 5.1551E-05 3.6612E-05 3.1913E-05 2.8365E-05 2.2590E-05 1.9847E-05 1.8677E-05 1.2664E-05 1.1848E-05 1.0385E-05 9.1775E-06 8.2111E-06 6.7717E-06 5.7384E-06 5.5477E-06 4.9587E-06 3.8843E-06 3.1814E-06 2.1720E-06 1.6415E-06 1.3164E-06 1.0976E-06 9.4055E-07 8.2261E-07 7.3068E-07 6.5710E-07 5.9689E-07 5.4684E-07 5.0447E-07 4.6804E-07 4.3658E-07 3.8479E-07 3.4416E-07 3.1096E-07 2.8370E-07 2.6091E-07 2.4148E-07 2.2473E-07 1.6683E-07 1.3263E-07 1.1006E-07 8.2112E-08 6.5487E-08 4.3484E-08 3.2533E-08 2.1645E-08 1.6217E-08 1.2966E-08 1.0800E-08 8.0948E-09 6.4743E-09 4.3137E-09 3.2359E-09 2.1564E-09 1.6170E-09 1.2936E-09 1.0778E-09 8.0849E-10 6.4669E-10 4.3113E-10 3.2334E-10 2.1554E-10 1.6165E-10 1.2934E-10 1.0778E-10 8.0824E-11 6.4669E-11 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 2.9361E-05 4.7464E-05 9.6460E-05 1.6073E-04 2.3801E-04 4.2304E-04 6.3653E-04 6.8609E-04 8.6591E-04 1.3398E-03 1.8122E-03 2.9336E-03 3.9297E-03 4.8242E-03 5.6195E-03 6.3356E-03 6.9847E-03 7.5744E-03 8.1096E-03 8.6002E-03 9.0561E-03 9.4798E-03 9.8763E-03 1.0248E-02 1.0929E-02 1.1539E-02 1.2091E-02 1.2594E-02 1.3053E-02 1.3479E-02 1.3870E-02 1.5488E-02 1.6700E-02 1.7661E-02 1.9108E-02 2.0144E-02 2.1812E-02 2.2822E-02 2.4019E-02 2.4715E-02 2.5174E-02 2.5521E-02 2.5967E-02 2.6239E-02 2.6685E-02 2.6908E-02 2.7156E-02 2.7305E-02 2.7379E-02 2.7429E-02 2.7528E-02 2.7577E-02 2.7627E-02 2.7676E-02 2.7701E-02 2.7726E-02 2.7751E-02 2.7751E-02 2.7751E-02 2.7775E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.1475E-07 3.4046E-06 1.1997E-05 4.8985E-05 9.7598E-05 1.4990E-04 2.0211E-04 2.5273E-04 3.0129E-04 3.4763E-04 3.9148E-04 4.3311E-04 4.7226E-04 5.0967E-04 5.4510E-04 5.7905E-04 6.4198E-04 6.9946E-04 7.5249E-04 8.0130E-04 8.4664E-04 8.8901E-04 9.2841E-04 1.0942E-03 1.2225E-03 1.3261E-03 1.4854E-03 1.6038E-03 1.8048E-03 1.9341E-03 2.0964E-03 2.1968E-03 2.2666E-03 2.3184E-03 2.3915E-03 2.4408E-03 2.5149E-03 2.5595E-03 2.6066E-03 2.6363E-03 2.6537E-03 2.6660E-03 2.6834E-03 2.6933E-03 2.7082E-03 2.7156E-03 2.7230E-03 2.7305E-03 2.7329E-03 2.7354E-03 2.7379E-03 2.7379E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Be.mat0000644000276300001750000001642013136054446020310 0ustar solebliss00000000000000Beryllium 1 4 1.000000 1 96 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 2.5000E-01 3.0000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 5.9184E-01 8.1796E+01 8.6437E-01 4.9475E-01 4.1029E-01 2.9616E-01 2.3214E-01 1.9258E-01 1.6485E-01 1.2543E-01 9.7494E-02 5.5797E-02 3.5382E-02 1.7701E-02 1.0538E-02 6.9562E-03 4.9201E-03 2.8226E-03 1.8236E-03 8.1857E-04 4.6208E-04 2.9620E-04 2.9620E-04 2.0588E-04 1.1594E-04 9.1638E-05 7.4239E-05 6.1354E-05 5.1553E-05 4.3932E-05 3.3005E-05 2.9008E-05 2.5692E-05 2.0565E-05 1.8563E-05 1.7775E-05 1.1881E-05 1.0985E-05 9.4723E-06 8.2525E-06 7.2537E-06 5.7313E-06 4.6421E-06 4.4443E-06 3.8363E-06 2.7464E-06 2.0628E-06 1.1607E-06 7.4306E-07 5.1580E-07 3.7895E-07 2.9014E-07 2.2927E-07 1.8570E-07 1.5342E-07 1.2897E-07 1.0986E-07 9.4754E-08 8.2525E-08 7.2502E-08 5.7307E-08 4.6421E-08 3.8363E-08 3.2235E-08 2.7464E-08 2.3682E-08 2.0628E-08 1.1607E-08 7.4239E-09 5.1573E-09 2.9008E-09 1.8563E-09 8.2525E-10 4.6408E-10 2.0628E-10 1.1600E-10 7.4239E-11 5.1567E-11 2.9008E-11 1.8563E-11 8.2525E-12 4.6408E-12 2.0628E-12 1.1600E-12 7.4239E-13 5.1567E-13 2.9008E-13 1.8563E-13 8.2525E-14 4.6408E-14 2.0628E-14 1.1600E-14 7.4239E-15 5.1567E-15 2.9008E-15 1.8563E-15 INCOHERENT SCATTERING CROSS SECTION 2.0909E-02 1.9690E-01 8.3858E-03 3.7922E-02 5.2836E-02 7.3504E-02 8.6267E-02 9.5623E-02 1.0344E-01 1.1627E-01 1.2616E-01 1.4113E-01 1.4768E-01 1.5075E-01 1.4935E-01 1.4654E-01 1.4333E-01 1.3685E-01 1.3077E-01 1.1814E-01 1.0845E-01 1.0075E-01 1.0075E-01 9.4420E-02 8.4597E-02 8.0725E-02 7.7313E-02 7.4252E-02 7.1500E-02 6.9024E-02 6.4724E-02 6.2833E-02 6.1081E-02 5.7927E-02 5.6498E-02 5.5897E-02 5.0518E-02 4.9508E-02 4.7631E-02 4.5920E-02 4.4351E-02 4.1572E-02 3.9185E-02 3.8703E-02 3.7104E-02 3.3625E-02 3.0825E-02 2.5713E-02 2.2205E-02 1.9626E-02 1.7641E-02 1.6057E-02 1.4761E-02 1.3672E-02 1.2756E-02 1.1961E-02 1.1266E-02 1.0658E-02 1.0124E-02 9.6358E-03 8.8072E-03 8.1256E-03 7.5442E-03 7.0497E-03 6.6201E-03 6.2452E-03 5.9131E-03 4.6989E-03 3.9225E-03 3.3799E-03 2.6655E-03 2.2125E-03 1.5757E-03 1.2349E-03 8.7537E-04 6.8560E-04 5.6759E-04 4.8600E-04 3.7955E-04 3.1226E-04 2.1804E-04 1.6879E-04 1.1734E-04 9.0611E-05 7.4039E-05 6.2806E-05 4.8386E-05 3.9505E-05 2.7304E-05 2.0989E-05 1.4474E-05 1.1113E-05 9.0477E-06 7.6511E-06 5.8657E-06 4.7724E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 6.0354E+02 2.0370E+06 4.9240E+03 1.7915E+02 7.4239E+01 2.0902E+01 8.3661E+00 4.0808E+00 2.2593E+00 8.8205E-01 4.2292E-01 1.1006E-01 4.2071E-02 1.0765E-02 4.0802E-03 1.9191E-03 1.0391E-03 3.9365E-04 1.8590E-04 4.8179E-05 1.8810E-05 9.2218E-06 9.2218E-06 5.2342E-06 2.2238E-06 1.5904E-06 1.1934E-06 9.3103E-07 7.4106E-07 5.9641E-07 4.1969E-07 3.7360E-07 3.4465E-07 2.8003E-07 2.3227E-07 2.1009E-07 1.4280E-07 1.3525E-07 1.1864E-07 1.0391E-07 9.2666E-08 7.6934E-08 6.5780E-08 6.3668E-08 5.7109E-08 4.5039E-08 3.7086E-08 2.5600E-08 1.9485E-08 1.5710E-08 1.3151E-08 1.1300E-08 9.9030E-09 8.8138E-09 7.9452E-09 7.2235E-09 6.6261E-09 6.1182E-09 5.6832E-09 5.3050E-09 4.6822E-09 4.1904E-09 3.7915E-09 3.4621E-09 3.1854E-09 2.9495E-09 2.7464E-09 2.0421E-09 1.6251E-09 1.3498E-09 1.0077E-09 8.0387E-10 5.3418E-10 3.9993E-10 2.6615E-10 1.9946E-10 1.5944E-10 1.3284E-10 9.9565E-11 7.9652E-11 5.3084E-11 3.9806E-11 2.6528E-11 1.9900E-11 1.5917E-11 1.3264E-11 9.9498E-12 7.9585E-12 5.3050E-12 3.9786E-12 2.6522E-12 1.9893E-12 1.5910E-12 1.3264E-12 9.9431E-13 7.9585E-13 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 8.4196E-06 1.3687E-05 2.8066E-05 4.7063E-05 6.9985E-05 1.2494E-04 1.8830E-04 2.0301E-04 2.5646E-04 3.9813E-04 5.4006E-04 8.7738E-04 1.1781E-03 1.4480E-03 1.6893E-03 1.9071E-03 2.1049E-03 2.2853E-03 2.4490E-03 2.5994E-03 2.7397E-03 2.8707E-03 2.9930E-03 3.1079E-03 3.3197E-03 3.5102E-03 3.6826E-03 3.8409E-03 3.9859E-03 4.1203E-03 4.2445E-03 4.7591E-03 5.1446E-03 5.4514E-03 5.9151E-03 6.2512E-03 6.8092E-03 7.1633E-03 7.6044E-03 7.8650E-03 8.0387E-03 8.1724E-03 8.3461E-03 8.4664E-03 8.6401E-03 8.7337E-03 8.8406E-03 8.8940E-03 8.9341E-03 8.9609E-03 8.9943E-03 9.0143E-03 9.0410E-03 9.0611E-03 9.0745E-03 9.0878E-03 9.0878E-03 9.0945E-03 9.1012E-03 9.1012E-03 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 1.0315E-07 3.0607E-06 1.0785E-05 4.4036E-05 8.7738E-05 1.3478E-04 1.8169E-04 2.2726E-04 2.7096E-04 3.1266E-04 3.5222E-04 3.8957E-04 4.2492E-04 4.5873E-04 4.9074E-04 5.2135E-04 5.7835E-04 6.3053E-04 6.7891E-04 7.2302E-04 7.6445E-04 8.0320E-04 8.3929E-04 9.9231E-04 1.1126E-03 1.2095E-03 1.3612E-03 1.4761E-03 1.6752E-03 1.8082E-03 1.9813E-03 2.0915E-03 2.1704E-03 2.2299E-03 2.3141E-03 2.3722E-03 2.4611E-03 2.5132E-03 2.5713E-03 2.6047E-03 2.6261E-03 2.6415E-03 2.6615E-03 2.6749E-03 2.6929E-03 2.7030E-03 2.7130E-03 2.7197E-03 2.7230E-03 2.7257E-03 2.7283E-03 2.7304E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/W.mat0000644000276300001750000002205213136054446020166 0ustar solebliss00000000000000W 1 74 1.000000 10 5 3 3 3 3 8 3 3 8 80 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 1.8092E-03 1.8092E-03 1.8401E-03 1.8716E-03 1.8716E-03 2.0000E-03 2.2810E-03 2.2810E-03 2.4235E-03 2.5749E-03 2.5749E-03 2.6945E-03 2.8196E-03 2.8196E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.0207E-02 1.0207E-02 1.0855E-02 1.1544E-02 1.1544E-02 1.1819E-02 1.2100E-02 1.2100E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 6.9525E-02 6.9525E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.1445E+01 4.3486E+01 1.2569E+01 1.0963E+01 1.0639E+01 1.0639E+01 1.0605E+01 1.0570E+01 1.0570E+01 1.0429E+01 1.0118E+01 1.0118E+01 9.9718E+00 9.8169E+00 9.8169E+00 9.6899E+00 9.5548E+00 9.5548E+00 9.3616E+00 8.3691E+00 7.4814E+00 6.6953E+00 5.4178E+00 4.4482E+00 4.3631E+00 4.3631E+00 4.1077E+00 3.8586E+00 3.8586E+00 3.7663E+00 3.6752E+00 3.6752E+00 2.8861E+00 2.0358E+00 1.2038E+00 7.9367E-01 5.6143E-01 4.2058E-01 3.3182E-01 3.3182E-01 2.6421E-01 1.8147E-01 8.8768E-02 5.2900E-02 3.5203E-02 2.5117E-02 1.8812E-02 1.4609E-02 1.1670E-02 9.5352E-03 7.9363E-03 6.7084E-03 5.7453E-03 4.3505E-03 3.8357E-03 3.4067E-03 2.7392E-03 2.4770E-03 2.3735E-03 1.5965E-03 1.4775E-03 1.2761E-03 1.1134E-03 9.8007E-04 7.7626E-04 6.2924E-04 6.0238E-04 5.2001E-04 3.7294E-04 2.8062E-04 1.5805E-04 1.0122E-04 7.0327E-05 5.1656E-05 3.9569E-05 3.1265E-05 2.5327E-05 2.0931E-05 1.7590E-05 1.4989E-05 1.2925E-05 1.1258E-05 9.8955E-06 7.8188E-06 6.3317E-06 5.2344E-06 4.3991E-06 3.7473E-06 3.2314E-06 2.8147E-06 1.5834E-06 1.0135E-06 7.0359E-07 3.9569E-07 2.5333E-07 1.1258E-07 6.3317E-08 2.8147E-08 1.5834E-08 1.0135E-08 7.0359E-09 3.9569E-09 2.5333E-09 1.1258E-09 6.3317E-10 2.8147E-10 1.5834E-10 1.0135E-10 7.0359E-11 3.9569E-11 2.5333E-11 1.1258E-11 6.3317E-12 2.8147E-12 1.5834E-12 1.0135E-12 7.0359E-13 3.9569E-13 2.5333E-13 INCOHERENT SCATTERING CROSS SECTION 4.3401E-03 1.1729E-02 1.8326E-03 7.5142E-03 9.3812E-03 9.3812E-03 9.5663E-03 9.7546E-03 9.7546E-03 1.0524E-02 1.2192E-02 1.2192E-02 1.3016E-02 1.3885E-02 1.3885E-02 1.4573E-02 1.5294E-02 1.5294E-02 1.6325E-02 2.1864E-02 2.7109E-02 3.2025E-02 4.0683E-02 4.7922E-02 4.8609E-02 4.8609E-02 5.0699E-02 5.2802E-02 5.2802E-02 5.3604E-02 5.4407E-02 5.4407E-02 6.1974E-02 7.2456E-02 8.6442E-02 9.4271E-02 9.8627E-02 1.0099E-01 1.0217E-01 1.0217E-01 1.0259E-01 1.0203E-01 9.7383E-02 9.1847E-02 8.6688E-02 8.2119E-02 7.8113E-02 7.4585E-02 7.1454E-02 6.8656E-02 6.6136E-02 6.3841E-02 6.1735E-02 5.8030E-02 5.6405E-02 5.4909E-02 5.2166E-02 5.0870E-02 5.0313E-02 4.5563E-02 4.4674E-02 4.3004E-02 4.1469E-02 4.0059E-02 3.7566E-02 3.5442E-02 3.5016E-02 3.3591E-02 3.0450E-02 2.7911E-02 2.3296E-02 2.0122E-02 1.7786E-02 1.5988E-02 1.4553E-02 1.3377E-02 1.2398E-02 1.1563E-02 1.0845E-02 1.0217E-02 9.6662E-03 9.1749E-03 8.7392E-03 7.9858E-03 7.3635E-03 6.8427E-03 6.3939E-03 6.0041E-03 5.6635E-03 5.3621E-03 4.2615E-03 3.5573E-03 3.0646E-03 2.4170E-03 2.0060E-03 1.4288E-03 1.1202E-03 7.9400E-04 6.2170E-04 5.1459E-04 4.4056E-04 3.4426E-04 2.8317E-04 1.9775E-04 1.5307E-04 1.0642E-04 8.2151E-05 6.7149E-05 5.6962E-05 4.3893E-05 3.5835E-05 2.4760E-05 1.9034E-05 1.3128E-05 1.0079E-05 8.2086E-06 6.9377E-06 5.3195E-06 4.3270E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 3.6719E+03 3.6635E+05 1.4677E+04 1.6325E+03 1.0973E+03 1.3047E+03 1.9304E+03 2.8543E+03 3.1124E+03 3.9110E+03 2.8176E+03 3.2693E+03 2.8217E+03 2.4357E+03 2.5890E+03 2.3285E+03 2.0941E+03 2.1845E+03 1.8926E+03 9.4795E+02 5.4571E+02 3.4459E+02 1.6506E+02 9.2404E+01 8.7589E+01 2.2896E+02 1.9433E+02 1.6496E+02 2.2729E+02 2.1468E+02 2.0279E+02 2.3443E+02 1.3594E+02 6.3612E+01 2.1439E+01 9.7809E+00 5.2900E+00 3.1911E+00 2.1177E+00 1.0800E+01 7.4421E+00 4.1534E+00 1.3951E+00 6.3972E-01 3.5110E-01 2.1658E-01 1.4507E-01 1.0328E-01 7.7051E-02 5.9615E-02 4.7487E-02 3.8750E-02 3.2269E-02 2.3482E-02 2.0423E-02 1.7951E-02 1.4242E-02 1.2830E-02 1.2280E-02 8.2806E-03 7.6897E-03 6.7005E-03 5.9059E-03 5.2549E-03 4.2679E-03 3.5736E-03 3.4492E-03 3.0613E-03 2.3423E-03 1.8753E-03 1.2313E-03 9.0439E-04 7.0982E-04 5.8207E-04 4.9232E-04 4.2582E-04 3.7472E-04 3.3444E-04 3.0191E-04 2.7502E-04 2.5245E-04 2.3325E-04 2.1674E-04 1.8982E-04 1.6879E-04 1.5192E-04 1.3810E-04 1.2657E-04 1.1681E-04 1.0842E-04 7.9793E-05 6.3120E-05 5.2180E-05 3.8750E-05 3.0823E-05 2.0387E-05 1.5228E-05 1.0112E-05 7.5698E-06 6.0467E-06 5.0346E-06 3.7735E-06 3.0165E-06 2.0096E-06 1.5064E-06 1.0040E-06 7.5273E-07 6.0205E-07 5.0182E-07 3.7636E-07 3.0099E-07 2.0066E-07 1.5048E-07 1.0033E-07 7.5240E-08 6.0205E-08 5.0149E-08 3.7604E-08 3.0093E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 3.2271E-04 5.0446E-04 9.6228E-04 1.5104E-03 2.1124E-03 3.3872E-03 4.6841E-03 4.9690E-03 5.9671E-03 8.4090E-03 1.0672E-02 1.5651E-02 1.9827E-02 2.3417E-02 2.6585E-02 2.9431E-02 3.2022E-02 3.4393E-02 3.6588E-02 3.8652E-02 4.0552E-02 4.2353E-02 4.3991E-02 4.5563E-02 4.8347E-02 5.0837E-02 5.3097E-02 5.5161E-02 5.7028E-02 5.8764E-02 6.0336E-02 6.6822E-02 7.1637E-02 7.5371E-02 8.0874E-02 8.4739E-02 9.0864E-02 9.4500E-02 9.8693E-02 1.0112E-01 1.0269E-01 1.0380E-01 1.0531E-01 1.0629E-01 1.0767E-01 1.0842E-01 1.0927E-01 1.0970E-01 1.0999E-01 1.1016E-01 1.1042E-01 1.1058E-01 1.1081E-01 1.1094E-01 1.1104E-01 1.1111E-01 1.1117E-01 1.1117E-01 1.1124E-01 1.1124E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.3468E-08 2.7705E-06 9.7546E-06 3.9765E-05 7.9105E-05 1.2126E-04 1.6322E-04 2.0377E-04 2.4249E-04 2.7921E-04 3.1393E-04 3.4656E-04 3.7735E-04 4.0650E-04 4.3401E-04 4.6022E-04 5.0870E-04 5.5259E-04 5.9288E-04 6.2956E-04 6.6330E-04 6.9475E-04 7.2390E-04 8.4346E-04 9.3354E-04 1.0046E-03 1.1104E-03 1.1867E-03 1.3119E-03 1.3892E-03 1.4829E-03 1.5389E-03 1.5769E-03 1.6044E-03 1.6427E-03 1.6679E-03 1.7053E-03 1.7266E-03 1.7495E-03 1.7632E-03 1.7714E-03 1.7773E-03 1.7852E-03 1.7901E-03 1.7967E-03 1.8006E-03 1.8042E-03 1.8065E-03 1.8081E-03 1.8088E-03 1.8098E-03 1.8107E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/N.mat0000644000276300001750000001642013136054446020157 0ustar solebliss00000000000000Nitrogen 1 7 1.000000 1 96 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 2.5000E-01 3.0000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.2911E+00 4.2730E+01 1.6014E+00 1.1755E+00 1.0456E+00 8.0013E-01 6.1095E-01 4.7724E-01 3.8381E-01 2.6854E-01 2.0302E-01 1.2060E-01 8.0400E-02 4.2302E-02 2.5835E-02 1.7378E-02 1.2473E-02 7.2962E-03 4.7681E-03 2.1695E-03 1.2309E-03 7.9120E-04 7.9120E-04 5.5076E-04 3.1046E-04 2.4544E-04 1.9889E-04 1.6444E-04 1.3823E-04 1.1781E-04 8.8504E-05 7.7777E-05 6.8881E-05 5.5141E-05 4.9788E-05 4.7681E-05 3.1876E-05 2.9468E-05 2.5409E-05 2.2138E-05 1.9462E-05 1.5383E-05 1.2456E-05 1.1922E-05 1.0286E-05 7.3638E-06 5.5334E-06 3.1141E-06 1.9928E-06 1.3840E-06 1.0168E-06 7.7863E-07 6.1525E-07 4.9831E-07 4.1176E-07 3.4598E-07 2.9481E-07 2.5418E-07 2.2142E-07 1.9464E-07 1.5379E-07 1.2456E-07 1.0293E-07 8.6505E-08 7.3693E-08 6.3546E-08 5.5377E-08 3.1137E-08 1.9928E-08 1.3840E-08 7.7820E-09 4.9831E-09 2.2138E-09 1.2451E-09 5.5334E-10 3.1132E-10 1.9924E-10 1.3836E-10 7.7820E-11 4.9831E-11 2.2138E-11 1.2451E-11 5.5334E-12 3.1132E-12 1.9924E-12 1.3836E-12 7.7820E-13 4.9831E-13 2.2138E-13 1.2451E-13 5.5334E-14 3.1132E-14 1.9924E-14 1.3836E-14 7.7820E-15 4.9831E-15 INCOHERENT SCATTERING CROSS SECTION 1.1007E-02 3.9908E-03 3.4674E-03 2.2349E-02 3.5105E-02 5.9848E-02 8.0228E-02 9.5663E-02 1.0723E-01 1.2288E-01 1.3298E-01 1.4829E-01 1.5672E-01 1.6338E-01 1.6385E-01 1.6192E-01 1.5908E-01 1.5267E-01 1.4631E-01 1.3264E-01 1.2185E-01 1.1324E-01 1.1324E-01 1.0620E-01 9.5233E-02 9.0840E-02 8.6978E-02 8.3551E-02 8.0486E-02 7.7722E-02 7.2881E-02 7.0726E-02 6.8718E-02 6.5150E-02 6.3589E-02 6.2944E-02 5.6882E-02 5.5728E-02 5.3600E-02 5.1679E-02 4.9933E-02 4.6834E-02 4.4112E-02 4.3553E-02 4.1718E-02 3.7821E-02 3.4710E-02 2.8953E-02 2.5001E-02 2.2099E-02 1.9863E-02 1.8079E-02 1.6617E-02 1.5396E-02 1.4360E-02 1.3466E-02 1.2688E-02 1.2004E-02 1.1394E-02 1.0852E-02 9.9188E-03 9.1449E-03 8.4957E-03 7.9368E-03 7.4553E-03 7.0339E-03 6.6599E-03 5.2926E-03 4.4155E-03 3.8054E-03 3.0010E-03 2.4911E-03 1.7740E-03 1.3909E-03 9.8587E-04 7.7218E-04 6.3890E-04 5.4732E-04 4.2737E-04 3.5161E-04 2.4554E-04 1.9004E-04 1.3212E-04 1.0198E-04 8.3409E-05 7.0726E-05 5.4474E-05 4.4499E-05 3.0741E-05 2.3634E-05 1.6299E-05 1.2516E-05 1.0190E-05 8.6118E-06 6.6040E-06 5.3743E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 3.3102E+03 1.0776E+07 2.3144E+04 1.0813E+03 4.7595E+02 1.4476E+02 6.0966E+01 3.0870E+01 1.7593E+01 7.1672E+00 3.5432E+00 9.6738E-01 3.8076E-01 1.0095E-01 3.9069E-02 1.8660E-02 1.0185E-02 3.9185E-03 1.8690E-03 4.9186E-04 1.9416E-04 9.5809E-05 9.5809E-05 5.4603E-05 2.3337E-05 1.6731E-05 1.2563E-05 9.7938E-06 7.8207E-06 6.3501E-06 4.4937E-06 3.9456E-06 3.5529E-06 2.8490E-06 2.4524E-06 2.2757E-06 1.5448E-06 1.4518E-06 1.2731E-06 1.1217E-06 1.0026E-06 8.2937E-07 7.0640E-07 6.8361E-07 6.1276E-07 4.8181E-07 3.9555E-07 2.7185E-07 2.0633E-07 1.6600E-07 1.3874E-07 1.1909E-07 1.0430E-07 9.2739E-08 8.3495E-08 7.5928E-08 6.9608E-08 6.4234E-08 5.9633E-08 5.5678E-08 4.9100E-08 4.3940E-08 3.9731E-08 3.6266E-08 3.3359E-08 3.0883E-08 2.8746E-08 2.1360E-08 1.6991E-08 1.4107E-08 1.0534E-08 8.4011E-09 5.5807E-09 4.1769E-09 2.7796E-09 2.0827E-09 1.6652E-09 1.3870E-09 1.0396E-09 8.3151E-10 5.5420E-10 4.1559E-10 2.7701E-10 2.0771E-10 1.6617E-10 1.3849E-10 1.0383E-10 8.3065E-11 5.5377E-11 4.1537E-11 2.7689E-11 2.0766E-11 1.6613E-11 1.3844E-11 1.0383E-11 8.3065E-12 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 1.6901E-05 2.7408E-05 5.5978E-05 9.3599E-05 1.3891E-04 2.4744E-04 3.7263E-04 4.0170E-04 5.0730E-04 7.8655E-04 1.0658E-03 1.7297E-03 2.3208E-03 2.8531E-03 3.3265E-03 3.7539E-03 4.1417E-03 4.4929E-03 4.8154E-03 5.1078E-03 5.3829E-03 5.6366E-03 5.8774E-03 6.1009E-03 6.5094E-03 6.8748E-03 7.2102E-03 7.5112E-03 7.7906E-03 8.0443E-03 8.2808E-03 9.2567E-03 9.9962E-03 1.0585E-02 1.1467E-02 1.2120E-02 1.3204E-02 1.3883E-02 1.4696E-02 1.5177E-02 1.5500E-02 1.5732E-02 1.6041E-02 1.6248E-02 1.6544E-02 1.6712E-02 1.6888E-02 1.6987E-02 1.7047E-02 1.7090E-02 1.7146E-02 1.7181E-02 1.7232E-02 1.7258E-02 1.7284E-02 1.7301E-02 1.7310E-02 1.7314E-02 1.7323E-02 1.7327E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 1.1615E-07 3.4460E-06 1.2142E-05 4.9573E-05 9.8802E-05 1.5173E-04 2.0461E-04 2.5590E-04 3.0513E-04 3.5204E-04 3.9654E-04 4.3854E-04 4.7853E-04 5.1636E-04 5.5248E-04 5.8688E-04 6.5094E-04 7.0941E-04 7.6358E-04 8.1346E-04 8.5989E-04 9.0332E-04 9.4373E-04 1.1140E-03 1.2468E-03 1.3543E-03 1.5216E-03 1.6476E-03 1.8660E-03 2.0100E-03 2.1936E-03 2.3079E-03 2.3879E-03 2.4473E-03 2.5298E-03 2.5857E-03 2.6695E-03 2.7173E-03 2.7701E-03 2.8011E-03 2.8200E-03 2.8333E-03 2.8514E-03 2.8626E-03 2.8781E-03 2.8871E-03 2.8957E-03 2.9013E-03 2.9043E-03 2.9064E-03 2.9090E-03 2.9107E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Rn.mat0000644000276300001750000002206013136054446020336 0ustar solebliss00000000000000Rn 1 86 1.000000 11 4 4 3 3 3 3 6 3 3 8 79 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.0970E-03 1.0970E-03 1.5000E-03 2.0000E-03 2.8924E-03 2.8924E-03 3.0000E-03 3.0215E-03 3.0215E-03 3.2696E-03 3.5380E-03 3.5380E-03 4.0000E-03 4.1590E-03 4.1590E-03 4.3175E-03 4.4820E-03 4.4820E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.4619E-02 1.4619E-02 1.5000E-02 1.7337E-02 1.7337E-02 1.7689E-02 1.8049E-02 1.8049E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 9.8404E-02 9.8404E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.2825E+01 2.1224E+02 1.4589E+01 1.2724E+01 1.2724E+01 1.2279E+01 1.1658E+01 1.0546E+01 1.0546E+01 1.0416E+01 1.0391E+01 1.0391E+01 1.0107E+01 9.8028E+00 9.8028E+00 9.3092E+00 9.1464E+00 9.1464E+00 8.9899E+00 8.8318E+00 8.8318E+00 8.3517E+00 7.5216E+00 6.1654E+00 5.1347E+00 3.5425E+00 3.5425E+00 3.4448E+00 2.9132E+00 2.9132E+00 2.8447E+00 2.7776E+00 2.7776E+00 2.4518E+00 1.4422E+00 9.6753E-01 6.9195E-01 5.1862E-01 3.2577E-01 2.3175E-01 2.3175E-01 2.2560E-01 1.1183E-01 6.6808E-02 4.4599E-02 3.1953E-02 2.4031E-02 1.8730E-02 1.5004E-02 1.2287E-02 1.0247E-02 8.6744E-03 7.4366E-03 5.6415E-03 4.9801E-03 4.4297E-03 3.5695E-03 3.2278E-03 3.0922E-03 2.0851E-03 1.9308E-03 1.6689E-03 1.4566E-03 1.2822E-03 1.0158E-03 8.2486E-04 7.9014E-04 6.8311E-04 4.9017E-04 3.6862E-04 2.0786E-04 1.3318E-04 9.2522E-05 6.8001E-05 5.2079E-05 4.1148E-05 3.3336E-05 2.7559E-05 2.3159E-05 1.9733E-05 1.7015E-05 1.4824E-05 1.3028E-05 1.0294E-05 8.3381E-06 6.8924E-06 5.7911E-06 4.9340E-06 4.2558E-06 3.7079E-06 2.0851E-06 1.3343E-06 9.2658E-07 5.2133E-07 3.3363E-07 1.4826E-07 8.3408E-08 3.7079E-08 2.0851E-08 1.3345E-08 9.2658E-09 5.2133E-09 3.3363E-09 1.4826E-09 8.3408E-10 3.7079E-10 2.0851E-10 1.3345E-10 9.2658E-11 5.2133E-11 3.3363E-11 1.4826E-11 8.3408E-12 3.7079E-12 2.0851E-12 1.3345E-12 9.2658E-13 5.2133E-13 3.3363E-13 INCOHERENT SCATTERING CROSS SECTION 3.1899E-03 4.7439E+00 1.3429E-03 3.7269E-03 3.7269E-03 6.1139E-03 9.1925E-03 1.4598E-02 1.4598E-02 1.5225E-02 1.5350E-02 1.5350E-02 1.6761E-02 1.8236E-02 1.8236E-02 2.0664E-02 2.1464E-02 2.1464E-02 2.2233E-02 2.3013E-02 2.3013E-02 2.5410E-02 2.9701E-02 3.7486E-02 4.4376E-02 5.6880E-02 5.6880E-02 5.7721E-02 6.2414E-02 6.2414E-02 6.3065E-02 6.3716E-02 6.3716E-02 6.7025E-02 7.9611E-02 8.7287E-02 9.1844E-02 9.4421E-02 9.6401E-02 9.6265E-02 9.6265E-02 9.6211E-02 9.2386E-02 8.7450E-02 8.2715E-02 7.8471E-02 7.4733E-02 7.1419E-02 6.8458E-02 6.5804E-02 6.3417E-02 6.1247E-02 5.9258E-02 5.5723E-02 5.4141E-02 5.2665E-02 5.0024E-02 4.8851E-02 4.8363E-02 4.3806E-02 4.2942E-02 4.1339E-02 3.9873E-02 3.8518E-02 3.6111E-02 3.4068E-02 3.3662E-02 3.2299E-02 2.9289E-02 2.6851E-02 2.2413E-02 1.9362E-02 1.7116E-02 1.5385E-02 1.4004E-02 1.2873E-02 1.1929E-02 1.1127E-02 1.0435E-02 9.8300E-03 9.3010E-03 8.8291E-03 8.4086E-03 7.6871E-03 7.0877E-03 6.5831E-03 6.1519E-03 5.7775E-03 5.4493E-03 5.1591E-03 4.1012E-03 3.4231E-03 2.9484E-03 2.3259E-03 1.9307E-03 1.3749E-03 1.0779E-03 7.6410E-04 5.9837E-04 4.9530E-04 4.2423E-04 3.3119E-04 2.7260E-04 1.9031E-04 1.4729E-04 1.0242E-04 7.9068E-05 6.4638E-05 5.4819E-05 4.2233E-05 3.4475E-05 2.3829E-05 1.8320E-05 1.2635E-05 9.6998E-06 7.8987E-06 6.6754E-06 5.1184E-06 4.1663E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 5.8128E+03 4.0773E+05 2.0897E+04 4.9014E+03 5.0045E+03 2.7062E+03 1.4783E+03 6.5289E+02 2.3094E+03 1.5431E+03 1.5138E+03 2.4591E+03 1.9006E+03 1.4691E+03 1.7002E+03 1.2570E+03 1.1392E+03 1.2081E+03 1.1036E+03 1.0082E+03 1.0522E+03 8.0804E+02 5.1645E+02 2.5144E+02 1.4249E+02 5.3381E+01 1.3079E+02 1.2236E+02 8.2594E+01 1.1552E+02 1.1004E+02 1.0484E+02 1.2122E+02 9.3119E+01 3.2550E+01 1.5184E+01 8.3408E+00 5.0940E+00 2.3265E+00 1.3207E+00 5.9349E+00 5.7640E+00 2.0105E+00 9.4692E-01 5.3102E-01 3.3146E-01 2.2466E-01 1.6164E-01 1.2157E-01 9.4692E-02 7.5877E-02 6.2224E-02 5.2016E-02 3.8061E-02 3.3173E-02 2.9212E-02 2.3239E-02 2.0951E-02 2.0056E-02 1.3538E-02 1.2566E-02 1.0938E-02 9.6374E-03 8.5819E-03 6.9805E-03 5.8264E-03 5.6148E-03 4.9648E-03 3.7935E-03 3.0407E-03 1.9882E-03 1.4558E-03 1.1398E-03 9.3281E-04 7.8743E-04 6.8028E-04 5.9810E-04 5.3327E-04 4.8092E-04 4.3779E-04 4.0172E-04 3.7079E-04 3.4448E-04 3.0135E-04 2.6777E-04 2.4087E-04 2.1884E-04 2.0048E-04 1.8496E-04 1.7164E-04 1.2616E-04 9.9710E-05 8.2405E-05 6.1166E-05 4.8607E-05 3.2143E-05 2.4003E-05 1.5933E-05 1.1924E-05 9.5262E-06 7.9339E-06 5.9430E-06 4.7522E-06 3.1654E-06 2.3726E-06 1.5811E-06 1.1856E-06 9.4828E-07 7.9014E-07 5.9267E-07 4.7414E-07 3.1600E-07 2.3699E-07 1.5797E-07 1.1848E-07 9.4800E-08 7.8987E-08 5.9240E-08 4.7387E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 4.0063E-04 6.3367E-04 1.2273E-03 1.9364E-03 2.7002E-03 4.2524E-03 5.7694E-03 6.1003E-03 7.2444E-03 9.9497E-03 1.2372E-02 1.7590E-02 2.1952E-02 2.5714E-02 2.9023E-02 3.2007E-02 3.4719E-02 3.7242E-02 3.9575E-02 4.1718E-02 4.3752E-02 4.5651E-02 4.7414E-02 4.9068E-02 5.2052E-02 5.4710E-02 5.7124E-02 5.9349E-02 6.1356E-02 6.3200E-02 6.4909E-02 7.1853E-02 7.7034E-02 8.1021E-02 8.6907E-02 9.1057E-02 9.7594E-02 1.0147E-01 1.0600E-01 1.0858E-01 1.1029E-01 1.1151E-01 1.1311E-01 1.1417E-01 1.1566E-01 1.1647E-01 1.1737E-01 1.1786E-01 1.1815E-01 1.1837E-01 1.1864E-01 1.1881E-01 1.1905E-01 1.1919E-01 1.1932E-01 1.1940E-01 1.1943E-01 1.1946E-01 1.1951E-01 1.1954E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 8.9931E-08 2.6647E-06 9.3797E-06 3.8219E-05 7.6003E-05 1.1650E-04 1.5673E-04 1.9562E-04 2.3273E-04 2.6791E-04 3.0108E-04 3.3228E-04 3.6184E-04 3.8951E-04 4.1609E-04 4.4105E-04 4.8716E-04 5.2893E-04 5.6717E-04 6.0189E-04 6.3417E-04 6.6401E-04 6.9141E-04 8.0479E-04 8.8996E-04 9.5696E-04 1.0568E-03 1.1287E-03 1.2461E-03 1.3188E-03 1.4070E-03 1.4593E-03 1.4948E-03 1.5206E-03 1.5561E-03 1.5797E-03 1.6142E-03 1.6340E-03 1.6549E-03 1.6673E-03 1.6749E-03 1.6804E-03 1.6874E-03 1.6918E-03 1.6977E-03 1.7013E-03 1.7045E-03 1.7067E-03 1.7080E-03 1.7088E-03 1.7097E-03 1.7105E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/incoh.dict0000644000276300001750000014634113136054446021232 0ustar solebliss00000000000000[ISCADT] XSVAL=[ 0.0 5.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 2.5000E-02 3.0000E-02 4.0000E-02 5.0000E-02 7.0000E-02 9.0000E-02 1.0000E-01 1.2500E-01 1.5000E-01 1.7500E-01 2.0000E-01 2.5000E-01 3.0000E-01 4.0000E-01 5.0000E-01 6.0000E-01 7.0000E-01 8.0000E-01 9.0000E-01 1.0000E+00 1.2500E+00 1.5000E+00 2.0000E+00 2.5000E+00 3.0000E+00 3.5000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 1.0000E+01 1.5000E+01 2.0000E+01 5.0000E+01 8.0000E+01 1.0000E+02 1.0000E+03 1.0000E+06 1.0000E+09] SCATF=[ 0.0 1.1047E-03 4.4098E-03 9.8880E-03 1.7494E-02 2.7167E-02 3.8828E-02 6.7731E-02 1.0332E-01 1.9024E-01 2.9039E-01 3.4257E-01 4.7131E-01 5.8874E-01 6.8851E-01 7.6885E-01 8.7768E-01 9.3687E-01 9.8298E-01 9.9502E-01 9.9837E-01 9.9941E-01 9.9977E-01 9.9990E-01 9.9995E-01 9.9999E-01 1.0000E+00 1.0000E+00 1.0000E+00 1.0000E+00 1.0000E+00 1.0000E+00 1.0000E+00 1.0000E+00 1.0000E+00 1.0000E+00 1.0000E+00 1.0000E+00 1.0000E+00 1.0000E+00 1.0000E+00 1.0000E+00 1.0000E+00 1.0000E+00 1.0000E+00 0.0 8.3186E-04 3.3274E-03 7.4867E-03 1.3310E-02 2.0590E-02 2.9900E-02 5.1900E-02 8.0540E-02 1.5347E-01 2.4502E-01 2.9575E-01 4.3215E-01 5.8352E-01 7.3603E-01 8.8056E-01 1.1457E+00 1.3624E+00 1.6566E+00 1.8175E+00 1.9023E+00 1.9467E+00 1.9702E+00 1.9829E+00 1.9899E+00 1.9971E+00 1.9990E+00 1.9999E+00 2.0000E+00 2.0000E+00 2.0000E+00 2.0000E+00 2.0000E+00 2.0000E+00 2.0000E+00 2.0000E+00 2.0000E+00 2.0000E+00 2.0000E+00 2.0000E+00 2.0000E+00 2.0000E+00 2.0000E+00 2.0000E+00 2.0000E+00 0.0 6.6000E-03 2.6500E-02 5.8475E-02 1.0220E-01 1.5449E-01 2.1640E-01 3.5410E-01 4.9980E-01 7.6520E-01 9.6290E-01 1.0328E+00 1.1721E+00 1.2458E+00 1.3297E+00 1.4176E+00 1.6052E+00 1.7953E+00 2.1428E+00 2.4166E+00 2.6129E+00 2.7462E+00 2.8339E+00 2.8909E+00 2.9278E+00 2.9732E+00 2.9892E+00 2.9978E+00 2.9994E+00 2.9998E+00 2.9999E+00 3.0000E+00 3.0000E+00 3.0000E+00 3.0000E+00 3.0000E+00 3.0000E+00 3.0000E+00 3.0000E+00 3.0000E+00 3.0000E+00 3.0000E+00 3.0000E+00 3.0000E+00 3.0000E+00 0.0 4.3000E-03 1.7700E-02 3.9679E-02 7.0200E-02 1.0834E-01 1.5440E-01 2.6560E-01 3.9810E-01 6.9980E-01 1.0165E+00 1.1706E+00 1.5028E+00 1.7742E+00 1.9657E+00 2.1207E+00 2.3215E+00 2.4705E+00 2.7437E+00 3.0053E+00 3.2374E+00 3.4291E+00 3.5794E+00 3.6931E+00 3.7771E+00 3.9000E+00 3.9538E+00 3.9890E+00 3.9970E+00 3.9990E+00 3.9997E+00 3.9999E+00 4.0000E+00 4.0000E+00 4.0000E+00 4.0000E+00 4.0000E+00 4.0000E+00 4.0000E+00 4.0000E+00 4.0000E+00 4.0000E+00 4.0000E+00 4.0000E+00 4.0000E+00 0.0 3.9000E-03 1.5650E-02 3.5033E-02 6.2000E-02 9.5926E-02 1.3702E-01 2.3761E-01 3.5989E-01 6.5072E-01 9.7789E-01 1.1474E+00 1.5485E+00 1.9314E+00 2.2558E+00 2.5308E+00 2.9329E+00 3.1899E+00 3.4991E+00 3.7318E+00 3.9476E+00 4.1462E+00 4.3202E+00 4.4689E+00 4.5896E+00 4.7918E+00 4.8955E+00 4.9729E+00 4.9922E+00 4.9974E+00 4.9991E+00 4.9996E+00 4.9999E+00 5.0000E+00 5.0000E+00 5.0000E+00 5.0000E+00 5.0000E+00 5.0000E+00 5.0000E+00 5.0000E+00 5.0000E+00 5.0000E+00 5.0000E+00 5.0000E+00 0.0 3.7900E-03 1.2990E-02 2.9534E-02 5.1640E-02 8.0494E-02 1.1570E-01 2.0150E-01 3.0860E-01 5.6877E-01 8.7559E-01 1.0392E+00 1.4476E+00 1.8662E+00 2.2532E+00 2.6041E+00 3.1979E+00 3.6426E+00 4.1837E+00 4.4777E+00 4.6903E+00 4.8778E+00 5.0511E+00 5.2085E+00 5.3485E+00 5.6153E+00 5.7806E+00 5.9302E+00 5.9770E+00 5.9917E+00 5.9968E+00 5.9986E+00 5.9997E+00 5.9999E+00 6.0000E+00 6.0001E+00 6.0000E+00 6.0000E+00 6.0000E+00 6.0000E+00 6.0000E+00 6.0000E+00 6.0000E+00 6.0000E+00 6.0000E+00 0.0 3.0000E-03 1.3000E-02 2.9200E-02 5.1700E-02 8.0400E-02 1.1510E-01 2.0170E-01 3.1000E-01 5.7970E-01 9.0420E-01 1.0800E+00 1.5397E+00 2.0030E+00 2.4468E+00 2.8580E+00 3.5586E+00 4.0970E+00 4.7920E+00 5.1820E+00 5.4370E+00 5.6350E+00 5.8090E+00 5.9680E+00 6.1130E+00 6.4157E+00 6.6300E+00 6.8599E+00 6.9470E+00 6.9790E+00 6.9913E+00 6.9960E+00 6.9991E+00 6.9998E+00 6.9999E+00 7.0000E+00 7.0000E+00 7.0000E+00 7.0000E+00 7.0000E+00 7.0000E+00 7.0000E+00 7.0000E+00 7.0000E+00 7.0000E+00 0.0 3.0000E-03 1.1000E-02 2.5300E-02 4.4800E-02 6.9800E-02 1.0010E-01 1.7610E-01 2.7100E-01 5.1370E-01 8.1180E-01 9.7700E-01 1.4199E+00 1.8850E+00 2.3497E+00 2.7990E+00 3.6135E+00 4.2930E+00 5.2570E+00 5.8280E+00 6.1750E+00 6.4110E+00 6.5960E+00 6.7550E+00 6.9010E+00 7.2159E+00 7.4620E+00 7.7642E+00 7.8999E+00 7.9570E+00 7.9807E+00 7.9910E+00 7.9977E+00 7.9993E+00 7.9998E+00 8.0000E+00 8.0000E+00 8.0000E+00 8.0000E+00 8.0000E+00 8.0000E+00 8.0000E+00 8.0000E+00 8.0000E+00 8.0000E+00 0.0 2.0000E-03 1.0000E-02 2.2400E-02 3.9700E-02 6.1900E-02 8.8800E-02 1.5650E-01 2.4200E-01 4.6100E-01 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4.9600E-01 7.5140E-01 1.0431E+00 1.6990E+00 2.3990E+00 3.7815E+00 5.0943E+00 5.7450E+00 7.3919E+00 9.0650E+00 1.0700E+01 1.2277E+01 1.5246E+01 1.8033E+01 2.3027E+01 2.7380E+01 3.1401E+01 3.5190E+01 3.8740E+01 4.2040E+01 4.5067E+01 5.1338E+01 5.6106E+01 6.3495E+01 6.9399E+01 7.4088E+01 7.7688E+01 8.0425E+01 8.4213E+01 8.6763E+01 8.8646E+01 9.0062E+01 9.1870E+01 9.3622E+01 9.4316E+01 9.4990E+01 9.5000E+01 9.5000E+01 9.5000E+01 9.5000E+01 9.5000E+01 0.0 3.1800E-02 1.2430E-01 2.7560E-01 4.7920E-01 7.2830E-01 1.0148E+00 1.6668E+00 2.3810E+00 3.7916E+00 5.1346E+00 5.7832E+00 7.4322E+00 9.1157E+00 1.0744E+01 1.2355E+01 1.5380E+01 1.8189E+01 2.3222E+01 2.7609E+01 3.1662E+01 3.5480E+01 3.9058E+01 4.2384E+01 4.5435E+01 5.1755E+01 5.6572E+01 6.4037E+01 6.9951E+01 7.4697E+01 7.8340E+01 8.1132E+01 8.4998E+01 8.7587E+01 8.9497E+01 9.0944E+01 9.2791E+01 9.4589E+01 9.5294E+01 9.5989E+01 9.6000E+01 9.6000E+01 9.6000E+01 9.6000E+01 9.6000E+01 0.0 3.1400E-02 1.2260E-01 2.7190E-01 4.7300E-01 7.1920E-01 1.0027E+00 1.6489E+00 2.3605E+00 3.7660E+00 5.1096E+00 5.7589E+00 7.4096E+00 9.1003E+00 1.0741E+01 1.2360E+01 1.5408E+01 1.8246E+01 2.3331E+01 2.7763E+01 3.1857E+01 3.5715E+01 3.9330E+01 4.2690E+01 4.5772E+01 5.2158E+01 5.7033E+01 6.4588E+01 7.0508E+01 7.5304E+01 7.8986E+01 8.1836E+01 8.5780E+01 8.8411E+01 9.0348E+01 9.1825E+01 9.3711E+01 9.5555E+01 9.6272E+01 9.6988E+01 9.6999E+01 9.7000E+01 9.7000E+01 9.7000E+01 9.7000E+01 0.0 3.1600E-02 1.2350E-01 2.7380E-01 4.7540E-01 7.2120E-01 1.0028E+00 1.6395E+00 2.3288E+00 3.6901E+00 4.9958E+00 5.6436E+00 7.2905E+00 8.9942E+00 1.0647E+01 1.2264E+01 1.5308E+01 1.8181E+01 2.3332E+01 2.7820E+01 3.1967E+01 3.5874E+01 3.9535E+01 4.2938E+01 4.6059E+01 5.2527E+01 5.7476E+01 6.5147E+01 7.1070E+01 7.5910E+01 7.9626E+01 8.2534E+01 8.6559E+01 8.9236E+01 9.1200E+01 9.2146E+01 9.4631E+01 9.6522E+01 9.7250E+01 9.7988E+01 9.7999E+01 9.8000E+01 9.8000E+01 9.8000E+01 9.8000E+01 0.0 3.1200E-02 1.2180E-01 2.7000E-01 4.6890E-01 7.1170E-01 9.9000E-01 1.6203E+00 2.3054E+00 3.6585E+00 4.9596E+00 5.6055E+00 7.2476E+00 8.9535E+00 1.0609E+01 1.2233E+01 1.5292E+01 1.8195E+01 2.3397E+01 2.7931E+01 3.2119E+01 3.6066E+01 3.9764E+01 4.3201E+01 4.6354E+01 5.2886E+01 5.7915E+01 6.5707E+01 7.1635E+01 7.6517E+01 8.0266E+01 8.3231E+01 8.7335E+01 9.0057E+01 9.2050E+01 9.3586E+01 9.5548E+01 9.7488E+01 9.8228E+01 9.8987E+01 9.8999E+01 9.9000E+01 9.9000E+01 9.9000E+01 9.9000E+01 0.0 3.0700E-02 1.2010E-01 2.6630E-01 4.6270E-01 7.0240E-01 9.7760E-01 1.6016E+00 2.2824E+00 3.6270E+00 4.9229E+00 5.5666E+00 7.2031E+00 8.9103E+00 1.0567E+01 1.2199E+01 1.5272E+01 1.8202E+01 2.3453E+01 2.8029E+01 3.2257E+01 3.6240E+01 3.9973E+01 4.3442E+01 4.6625E+01 5.3218E+01 5.8337E+01 6.6270E+01 7.2204E+01 7.7125E+01 8.0904E+01 8.3926E+01 8.8109E+01 9.0877E+01 9.2899E+01 9.4465E+01 9.6464E+01 9.8453E+01 9.9206E+01 9.9986E+01 9.9999E+01 1.0000E+02 1.0000E+02 1.0000E+02 1.0000E+02] PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Pa.mat0000644000276300001750000002277213136054446020331 0ustar solebliss00000000000000Pa 1 91 1.000000 13 4 3 3 5 3 3 3 3 6 3 3 8 78 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.0067E-03 1.0067E-03 1.1102E-03 1.2243E-03 1.2243E-03 1.3032E-03 1.3871E-03 1.3871E-03 1.5000E-03 2.0000E-03 3.0000E-03 3.4418E-03 3.4418E-03 3.5255E-03 3.6112E-03 3.6112E-03 4.0000E-03 4.1738E-03 4.1738E-03 5.0000E-03 5.0009E-03 5.0009E-03 5.1807E-03 5.3669E-03 5.3669E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 1.6733E-02 1.6733E-02 2.0000E-02 2.0314E-02 2.0314E-02 2.0705E-02 2.1105E-02 2.1105E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.1260E-01 1.1260E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.3658E+01 1.1453E+35 1.2139E+02 1.3651E+01 1.3651E+01 1.3522E+01 1.3377E+01 1.3377E+01 1.3281E+01 1.3176E+01 1.3176E+01 1.3025E+01 1.2360E+01 1.1073E+01 1.0544E+01 1.0544E+01 1.0446E+01 1.0346E+01 1.0346E+01 9.9076E+00 9.7199E+00 9.7199E+00 8.8937E+00 8.8937E+00 8.8937E+00 8.7805E+00 8.5574E+00 8.5574E+00 8.0231E+00 6.6129E+00 5.5338E+00 3.7509E+00 3.3260E+00 3.3260E+00 2.6978E+00 2.6457E+00 2.6457E+00 2.5844E+00 2.5253E+00 2.5253E+00 1.5890E+00 1.0682E+00 7.6920E-01 5.7840E-01 3.6336E-01 2.5203E-01 2.0647E-01 2.0647E-01 1.2585E-01 7.5330E-02 5.0348E-02 3.6127E-02 2.7219E-02 2.1251E-02 1.7050E-02 1.3979E-02 1.1666E-02 9.8842E-03 8.4834E-03 6.4463E-03 5.6902E-03 5.0580E-03 4.0749E-03 3.6909E-03 3.5397E-03 2.3889E-03 2.2119E-03 1.9127E-03 1.6706E-03 1.4715E-03 1.1666E-03 9.4749E-04 9.0761E-04 7.8477E-04 5.6357E-04 4.2409E-04 2.3915E-04 1.5327E-04 1.0650E-04 7.8302E-05 5.9951E-05 4.7388E-05 3.8395E-05 3.1722E-05 2.6665E-05 2.2722E-05 1.9594E-05 1.7068E-05 1.5001E-05 1.1855E-05 9.6026E-06 7.9370E-06 6.6676E-06 5.6823E-06 4.9004E-06 4.2670E-06 2.4009E-06 1.5366E-06 1.0671E-06 6.0030E-07 3.8421E-07 1.7073E-07 9.6026E-08 4.2696E-08 2.4009E-08 1.5366E-08 1.0671E-08 6.0030E-09 3.8421E-09 1.7073E-09 9.6026E-10 4.2696E-10 2.4009E-10 1.5366E-10 1.0671E-10 6.0030E-11 3.8421E-11 1.7073E-11 9.6026E-12 4.2696E-12 2.4009E-12 1.5366E-12 1.0671E-12 6.0030E-13 3.8421E-13 INCOHERENT SCATTERING CROSS SECTION 4.7023E-03 1.6252E+25 1.5159E-02 4.7440E-03 4.7440E-03 5.3890E-03 6.0838E-03 6.0838E-03 6.5448E-03 7.0352E-03 7.0352E-03 7.7155E-03 1.0684E-02 1.6437E-02 1.8864E-02 1.8864E-02 1.9317E-02 1.9766E-02 1.9766E-02 2.1778E-02 2.2651E-02 2.2651E-02 2.6587E-02 2.6613E-02 2.6613E-02 2.8931E-02 2.8229E-02 2.8229E-02 3.0888E-02 3.8421E-02 4.5068E-02 5.8387E-02 6.1984E-02 6.1984E-02 6.7719E-02 6.8214E-02 6.8214E-02 6.8816E-02 6.9413E-02 6.9413E-02 8.0022E-02 8.7659E-02 9.2299E-02 9.5036E-02 9.7147E-02 9.7069E-02 9.6470E-02 9.6470E-02 9.3420E-02 8.8572E-02 8.3847E-02 7.9579E-02 7.5806E-02 7.2463E-02 6.9480E-02 6.6807E-02 6.4394E-02 6.2193E-02 6.0167E-02 5.6582E-02 5.4999E-02 5.3536E-02 5.0881E-02 4.9655E-02 4.9134E-02 4.4520E-02 4.3651E-02 4.2024E-02 4.0532E-02 3.9158E-02 3.6722E-02 3.4641E-02 3.4224E-02 3.2830E-02 2.9766E-02 2.7291E-02 2.2787E-02 1.9685E-02 1.7404E-02 1.5645E-02 1.4240E-02 1.3090E-02 1.2128E-02 1.1313E-02 1.0611E-02 9.9962E-03 9.4567E-03 8.9797E-03 8.5496E-03 7.8145E-03 7.2072E-03 6.6937E-03 6.2558E-03 5.8752E-03 5.5416E-03 5.2470E-03 4.1705E-03 3.4798E-03 2.9976E-03 2.3652E-03 1.9630E-03 1.3979E-03 1.0961E-03 7.7702E-04 6.0838E-04 5.0359E-04 4.3139E-04 3.3677E-04 2.7708E-04 1.9351E-04 1.4977E-04 1.0413E-04 8.0387E-05 6.5712E-05 5.5729E-05 4.2930E-05 3.5059E-05 2.4228E-05 1.8627E-05 1.2845E-05 9.8633E-06 8.0309E-06 6.7901E-06 5.2053E-06 4.2357E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 6.5165E+03 4.1979E+05 2.2833E+04 6.4383E+03 6.8553E+03 5.7244E+03 4.7831E+03 4.8508E+03 4.2940E+03 3.8030E+03 3.8786E+03 3.3130E+03 1.8212E+03 7.4470E+02 5.4425E+02 1.3520E+03 1.2602E+03 1.1748E+03 1.6841E+03 1.3046E+03 1.1724E+03 1.3648E+03 8.6695E+02 8.6669E+02 9.1986E+02 8.4294E+02 7.7259E+02 8.0569E+02 6.1359E+02 3.0080E+02 1.7136E+02 6.0603E+01 4.5641E+01 1.0963E+02 6.7484E+01 6.4747E+01 9.1804E+01 8.7368E+01 8.3176E+01 9.6000E+01 3.9099E+01 1.8413E+01 1.0187E+01 6.2558E+00 2.8829E+00 1.5752E+00 1.1417E+00 4.8952E+00 2.3558E+00 1.1240E+00 6.3405E-01 3.9959E-01 2.7237E-01 1.9672E-01 1.4851E-01 1.1607E-01 9.3267E-02 7.6660E-02 6.4206E-02 4.7115E-02 4.1106E-02 3.6225E-02 2.8853E-02 2.6027E-02 2.4922E-02 1.6844E-02 1.5634E-02 1.3602E-02 1.1977E-02 1.0659E-02 8.6642E-03 7.2359E-03 6.9752E-03 6.1710E-03 4.7101E-03 3.7691E-03 2.4611E-03 1.7998E-03 1.4078E-03 1.1513E-03 9.7121E-04 8.3854E-04 7.3714E-04 6.5686E-04 5.9222E-04 5.3878E-04 4.9421E-04 4.5641E-04 4.2357E-04 3.7066E-04 3.2921E-04 2.9611E-04 2.6900E-04 2.4630E-04 2.2719E-04 2.1082E-04 1.5488E-04 1.2235E-04 1.0111E-04 7.5017E-05 5.9639E-05 3.9412E-05 2.9428E-05 1.9534E-05 1.4618E-05 1.1680E-05 9.7252E-06 7.2854E-06 5.8231E-06 3.8786E-06 2.9089E-06 1.9380E-06 1.4532E-06 1.1623E-06 9.6861E-07 7.2645E-07 5.8101E-07 3.8734E-07 2.9037E-07 1.9364E-07 1.4524E-07 1.1618E-07 9.6808E-08 7.2619E-08 5.8101E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 4.4651E-04 7.1034E-04 1.3866E-03 2.1953E-03 3.0605E-03 4.7902E-03 6.4487E-03 6.8084E-03 8.0447E-03 1.0927E-02 1.3471E-02 1.8921E-02 2.3472E-02 2.7369E-02 3.0836E-02 3.3964E-02 3.6805E-02 3.9438E-02 4.1888E-02 4.4155E-02 4.6293E-02 4.8274E-02 5.0125E-02 5.1871E-02 5.5025E-02 5.7840E-02 6.0394E-02 6.2740E-02 6.4878E-02 6.6833E-02 6.8631E-02 7.5982E-02 8.1456E-02 8.5678E-02 9.1908E-02 9.6287E-02 1.0322E-01 1.0734E-01 1.1216E-01 1.1490E-01 1.1672E-01 1.1800E-01 1.1972E-01 1.2084E-01 1.2246E-01 1.2332E-01 1.2428E-01 1.2478E-01 1.2512E-01 1.2535E-01 1.2564E-01 1.2582E-01 1.2608E-01 1.2621E-01 1.2637E-01 1.2645E-01 1.2647E-01 1.2652E-01 1.2655E-01 1.2658E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.1466E-08 2.7095E-06 9.5349E-06 3.8838E-05 7.7233E-05 1.1836E-04 1.5924E-04 1.9870E-04 2.3636E-04 2.7213E-04 3.0575E-04 3.3755E-04 3.6727E-04 3.9542E-04 4.2227E-04 4.4755E-04 4.9421E-04 5.3669E-04 5.7527E-04 6.1072E-04 6.4304E-04 6.7328E-04 7.0117E-04 8.1586E-04 9.0188E-04 9.6939E-04 1.0703E-03 1.1430E-03 1.2618E-03 1.3356E-03 1.4250E-03 1.4782E-03 1.5147E-03 1.5410E-03 1.5778E-03 1.6020E-03 1.6382E-03 1.6588E-03 1.6812E-03 1.6943E-03 1.7024E-03 1.7081E-03 1.7157E-03 1.7206E-03 1.7271E-03 1.7310E-03 1.7344E-03 1.7368E-03 1.7383E-03 1.7391E-03 1.7402E-03 1.7409E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Es.mat0000644000276300001750000002334413136054446020334 0ustar solebliss00000000000000Es 1 99 1.000000 14 4 3 3 3 5 3 3 3 3 6 3 3 8 78 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.0320E-03 1.0320E-03 1.1676E-03 1.3210E-03 1.3210E-03 1.5000E-03 1.6800E-03 1.6800E-03 1.7715E-03 1.8680E-03 1.8680E-03 2.0000E-03 3.0000E-03 4.0000E-03 4.3740E-03 4.3740E-03 4.5002E-03 4.6300E-03 4.6300E-03 5.0000E-03 5.2520E-03 5.2520E-03 6.0000E-03 6.5740E-03 6.5740E-03 6.7725E-03 6.9770E-03 6.9770E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 2.0410E-02 2.0410E-02 2.3045E-02 2.6020E-02 2.6020E-02 2.6456E-02 2.6900E-02 2.6900E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.3949E-01 1.3949E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.4952E+01 1.0373E+01 1.5583E+01 1.4914E+01 1.4914E+01 1.4761E+01 1.4582E+01 1.4582E+01 1.4348E+01 1.4109E+01 1.4109E+01 1.3994E+01 1.3870E+01 1.3870E+01 1.3689E+01 1.2339E+01 1.1056E+01 1.0607E+01 1.0607E+01 1.0460E+01 1.0311E+01 1.0311E+01 9.9022E+00 9.6346E+00 9.6346E+00 8.8988E+00 8.3900E+00 8.3900E+00 8.2227E+00 8.0555E+00 8.0555E+00 7.2982E+00 6.1038E+00 4.1735E+00 3.0364E+00 2.9647E+00 2.9647E+00 2.5484E+00 2.1737E+00 2.1737E+00 2.1268E+00 2.0808E+00 2.0808E+00 1.7986E+00 1.2047E+00 8.7603E-01 6.6269E-01 4.1687E-01 2.8930E-01 1.6553E-01 1.6553E-01 1.4601E-01 8.7698E-02 5.8706E-02 4.2213E-02 3.1892E-02 2.4965E-02 2.0071E-02 1.6486E-02 1.3783E-02 1.1694E-02 1.0047E-02 7.6493E-03 6.7607E-03 6.0187E-03 4.8589E-03 4.4004E-03 4.2189E-03 2.8548E-03 2.6449E-03 2.2888E-03 1.9998E-03 1.7621E-03 1.3982E-03 1.1369E-03 1.0894E-03 9.4270E-04 6.7772E-04 5.1028E-04 2.8811E-04 1.8476E-04 1.2845E-04 9.4459E-05 7.2337E-05 5.7191E-05 4.6322E-05 3.8295E-05 3.2179E-05 2.7425E-05 2.3651E-05 2.0605E-05 1.8111E-05 1.4310E-05 1.1591E-05 9.5797E-06 8.0508E-06 6.8611E-06 5.9150E-06 5.1530E-06 2.8978E-06 1.8553E-06 1.2884E-06 7.2481E-07 4.6393E-07 2.0614E-07 1.1596E-07 5.1530E-08 2.8978E-08 1.8553E-08 1.2884E-08 7.2481E-09 4.6370E-09 2.0614E-09 1.1596E-09 5.1530E-10 2.8978E-10 1.8553E-10 1.2884E-10 7.2481E-11 4.6370E-11 2.0614E-11 1.1596E-11 5.1530E-12 2.8978E-12 1.8553E-12 1.2884E-12 7.2481E-13 4.6370E-13 INCOHERENT SCATTERING CROSS SECTION 4.0278E-03 8.9316E+19 6.9992E-03 4.2022E-03 4.2022E-03 4.9298E-03 5.7478E-03 5.7478E-03 6.7225E-03 7.7091E-03 7.7091E-03 8.2106E-03 8.7388E-03 8.7388E-03 9.4602E-03 1.4814E-02 1.9802E-02 2.1567E-02 2.1567E-02 2.2149E-02 2.2740E-02 2.2740E-02 2.4391E-02 2.5490E-02 2.5490E-02 2.8572E-02 3.0817E-02 3.0817E-02 3.1577E-02 3.2346E-02 3.2346E-02 3.6001E-02 4.2595E-02 5.6021E-02 6.5672E-02 6.6341E-02 6.6341E-02 7.0228E-02 7.3914E-02 7.3914E-02 7.4405E-02 7.4894E-02 7.4894E-02 7.8071E-02 8.5572E-02 9.0255E-02 9.3121E-02 9.5510E-02 9.5630E-02 9.3217E-02 9.3217E-02 9.2333E-02 8.7698E-02 8.3148E-02 7.9003E-02 7.5297E-02 7.2003E-02 6.9069E-02 6.6437E-02 6.4053E-02 6.1874E-02 5.9866E-02 5.6318E-02 5.4755E-02 5.3312E-02 5.0681E-02 4.9451E-02 4.8926E-02 4.4339E-02 4.3477E-02 4.1861E-02 4.0373E-02 3.8999E-02 3.6568E-02 3.4520E-02 3.4114E-02 3.2746E-02 2.9693E-02 2.7210E-02 2.2717E-02 1.9625E-02 1.7351E-02 1.5597E-02 1.4198E-02 1.3051E-02 1.2093E-02 1.1281E-02 1.0581E-02 9.9667E-03 9.4292E-03 8.9514E-03 8.5262E-03 7.7928E-03 7.1860E-03 6.6747E-03 6.2375E-03 5.8577E-03 5.5256E-03 5.2318E-03 4.1568E-03 3.4711E-03 2.9910E-03 2.3584E-03 1.9573E-03 1.3940E-03 1.0929E-03 7.7474E-04 6.0679E-04 5.0216E-04 4.3001E-04 3.3589E-04 2.7640E-04 1.9296E-04 1.4933E-04 1.0385E-04 8.0149E-05 6.5529E-05 5.5567E-05 4.2810E-05 3.4950E-05 2.4152E-05 1.8574E-05 1.2810E-05 9.8329E-06 8.0078E-06 6.7703E-06 5.1912E-06 4.2237E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 7.7713E+03 2.8994E+05 2.3102E+04 7.3962E+03 7.6208E+03 6.2144E+03 5.0670E+03 5.3919E+03 4.2093E+03 3.3445E+03 3.3828E+03 3.0293E+03 2.7115E+03 2.7592E+03 2.3885E+03 9.7971E+02 5.0574E+02 4.1018E+02 9.0541E+02 8.5846E+02 8.1392E+02 1.1257E+03 9.4913E+02 8.3972E+02 9.8019E+02 7.0211E+02 5.5424E+02 5.8768E+02 5.4548E+02 5.0646E+02 5.2748E+02 3.7602E+02 2.1563E+02 7.7402E+01 3.6981E+01 3.5094E+01 8.1583E+01 5.8808E+01 4.2380E+01 6.1062E+01 5.8472E+01 5.5973E+01 6.4502E+01 4.8950E+01 2.3612E+01 1.3244E+01 8.2156E+00 3.8438E+00 2.1245E+00 8.7603E-01 3.4210E+00 2.8787E+00 1.3944E+00 7.9666E-01 5.0932E-01 3.5078E-01 2.5538E-01 1.9414E-01 1.5263E-01 1.2324E-01 1.0172E-01 8.5517E-02 6.3102E-02 5.5137E-02 4.8627E-02 3.8788E-02 3.5046E-02 3.3589E-02 2.2733E-02 2.1096E-02 1.8351E-02 1.6156E-02 1.4375E-02 1.1679E-02 9.7517E-03 9.4005E-03 8.3161E-03 6.3423E-03 5.0694E-03 3.3015E-03 2.4105E-03 1.8823E-03 1.5375E-03 1.2958E-03 1.1180E-03 9.8186E-04 8.7459E-04 7.8811E-04 7.1669E-04 6.5696E-04 6.0632E-04 5.6284E-04 4.9212E-04 4.3694E-04 3.9274E-04 3.5667E-04 3.2657E-04 3.0125E-04 2.7951E-04 2.0514E-04 1.6197E-04 1.3381E-04 9.9237E-05 7.8859E-05 5.2103E-05 3.8892E-05 2.5825E-05 1.9319E-05 1.5435E-05 1.2850E-05 9.6275E-06 7.6948E-06 5.1267E-06 3.8414E-06 2.5610E-06 1.9200E-06 1.5359E-06 1.2798E-06 9.5964E-07 7.6757E-07 5.1171E-07 3.8367E-07 2.5586E-07 1.9188E-07 1.5349E-07 1.2790E-07 9.5940E-08 7.6757E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 5.0240E-04 8.0784E-04 1.6003E-03 2.5514E-03 3.5589E-03 5.5207E-03 7.3484E-03 7.7426E-03 9.0878E-03 1.2164E-02 1.4819E-02 2.0404E-02 2.5060E-02 2.8930E-02 3.2490E-02 3.5715E-02 3.8677E-02 4.1424E-02 4.3957E-02 4.6346E-02 4.8567E-02 5.0646E-02 5.2605E-02 5.4444E-02 5.7765E-02 6.0727E-02 6.3450E-02 6.5935E-02 6.8204E-02 7.0283E-02 7.2194E-02 8.0006E-02 8.5835E-02 9.0350E-02 9.6991E-02 1.0167E-01 1.0901E-01 1.1338E-01 1.1847E-01 1.2138E-01 1.2329E-01 1.2466E-01 1.2645E-01 1.2762E-01 1.2929E-01 1.3025E-01 1.3118E-01 1.3180E-01 1.3213E-01 1.3237E-01 1.3268E-01 1.3287E-01 1.3311E-01 1.3328E-01 1.3340E-01 1.3352E-01 1.3359E-01 1.3361E-01 1.3364E-01 1.3366E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.1187E-08 2.7008E-06 9.5032E-06 3.8701E-05 7.6948E-05 1.1789E-04 1.5855E-04 1.9781E-04 2.3526E-04 2.7067E-04 3.0411E-04 3.3565E-04 3.6527E-04 3.9322E-04 4.1974E-04 4.4482E-04 4.9117E-04 5.3321E-04 5.7144E-04 6.0655E-04 6.3880E-04 6.6843E-04 6.9614E-04 8.0938E-04 8.9442E-04 9.6107E-04 1.0602E-03 1.1314E-03 1.2477E-03 1.3197E-03 1.4066E-03 1.4580E-03 1.4931E-03 1.5187E-03 1.5538E-03 1.5769E-03 1.6113E-03 1.6309E-03 1.6522E-03 1.6649E-03 1.6725E-03 1.6778E-03 1.6849E-03 1.6895E-03 1.6957E-03 1.6993E-03 1.7026E-03 1.7048E-03 1.7062E-03 1.7069E-03 1.7079E-03 1.7086E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/EGRID.TXT0000644000276300001750000000016113136054446020505 0ustar solebliss0000000000000016 1.0E-04 5.0E-04 0.250 0.350 0.450 0.550 0.650 0.750 0.850 0.950 1.3 1.4 1.6 1.8 2.2 2.6 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Fr.mat0000644000276300001750000002217013136054446020330 0ustar solebliss00000000000000Fr 1 87 1.000000 11 4 4 3 3 3 3 7 3 3 9 78 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.1530E-03 1.1530E-03 1.5000E-03 2.0000E-03 2.9999E-03 2.9999E-03 3.0000E-03 3.1362E-03 3.1362E-03 3.3894E-03 3.6630E-03 3.6630E-03 4.0000E-03 4.3270E-03 4.3270E-03 4.4866E-03 4.6520E-03 4.6520E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 1.5031E-02 1.5031E-02 1.6406E-02 1.7907E-02 1.7907E-02 1.8269E-02 1.8639E-02 1.8639E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.0114E-01 1.0114E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.2964E+01 3.1444E+02 1.4947E+01 1.2794E+01 1.2794E+01 1.2400E+01 1.1787E+01 1.0558E+01 1.0558E+01 1.0558E+01 1.0396E+01 1.0396E+01 1.0073E+01 9.8020E+00 9.8020E+00 9.4428E+00 9.1134E+00 9.1134E+00 8.9569E+00 8.7975E+00 8.7975E+00 8.4762E+00 7.6391E+00 6.2754E+00 5.2304E+00 3.5185E+00 3.5104E+00 3.5104E+00 3.1789E+00 2.8677E+00 2.8677E+00 2.7995E+00 2.7327E+00 2.7327E+00 2.5091E+00 1.4760E+00 9.9100E-01 7.0963E-01 5.3222E-01 3.3429E-01 2.3158E-01 2.2723E-01 2.2723E-01 1.1498E-01 6.8695E-02 4.5882E-02 3.2889E-02 2.4742E-02 1.9288E-02 1.5455E-02 1.2659E-02 1.0556E-02 8.9379E-03 7.6662E-03 5.8197E-03 5.1359E-03 4.5649E-03 3.6757E-03 3.3267E-03 3.1890E-03 2.1510E-03 1.9916E-03 1.7216E-03 1.5030E-03 1.3234E-03 1.0487E-03 8.5140E-04 8.1548E-04 7.0493E-04 5.0605E-04 3.8074E-04 2.1459E-04 1.3750E-04 9.5563E-05 7.0234E-05 5.3789E-05 4.2502E-05 3.4428E-05 2.8461E-05 2.3914E-05 2.0376E-05 1.7571E-05 1.5308E-05 1.3453E-05 1.0631E-05 8.6112E-06 7.1179E-06 5.9811E-06 5.0954E-06 4.3933E-06 3.8263E-06 2.1529E-06 1.3779E-06 9.5698E-07 5.3816E-07 3.4455E-07 1.5311E-07 8.6112E-08 3.8263E-08 2.1529E-08 1.3779E-08 9.5698E-09 5.3816E-09 3.4455E-09 1.5311E-09 8.6112E-10 3.8263E-10 2.1529E-10 1.3779E-10 9.5698E-11 5.3816E-11 3.4455E-11 1.5311E-11 8.6112E-12 3.8263E-12 2.1529E-12 1.3779E-12 9.5698E-13 5.3816E-13 3.4455E-13 INCOHERENT SCATTERING CROSS SECTION 4.0936E-03 2.1263E-04 1.6289E-03 4.9496E-03 4.9496E-03 6.9505E-03 9.9316E-03 1.5802E-02 1.5802E-02 1.5802E-02 1.6569E-02 1.6569E-02 1.8159E-02 1.9466E-02 1.9466E-02 2.1216E-02 2.2831E-02 2.2831E-02 2.3595E-02 2.4378E-02 2.4378E-02 2.5977E-02 3.0243E-02 3.7939E-02 4.4770E-02 5.8137E-02 5.8191E-02 5.8191E-02 6.0867E-02 6.3861E-02 6.3861E-02 6.4514E-02 6.5158E-02 6.5158E-02 6.7453E-02 7.9982E-02 8.7678E-02 9.2268E-02 9.4888E-02 9.6886E-02 9.6724E-02 9.6697E-02 9.6697E-02 9.2943E-02 8.8002E-02 8.3258E-02 7.8983E-02 7.5210E-02 7.1881E-02 6.8924E-02 6.6265E-02 6.3849E-02 6.1647E-02 5.9636E-02 5.6091E-02 5.4518E-02 5.3059E-02 5.0411E-02 4.9199E-02 4.8686E-02 4.4095E-02 4.3230E-02 4.1619E-02 4.0153E-02 3.8813E-02 3.6424E-02 3.4320E-02 3.3888E-02 3.2468E-02 2.9444E-02 2.7030E-02 2.2569E-02 1.9499E-02 1.7239E-02 1.5494E-02 1.4104E-02 1.2964E-02 1.2014E-02 1.1206E-02 1.0509E-02 9.9019E-03 9.3672E-03 8.8920E-03 8.4681E-03 7.7417E-03 7.1395E-03 6.6292E-03 6.1944E-03 5.8191E-03 5.4870E-03 5.1980E-03 4.1287E-03 3.4482E-03 2.9703E-03 2.3425E-03 1.9442E-03 1.3847E-03 1.0855E-03 7.6958E-04 6.0270E-04 4.9874E-04 4.2718E-04 3.3348E-04 2.7435E-04 1.9167E-04 1.4835E-04 1.0315E-04 7.9604E-05 6.5104E-05 5.5194E-05 4.2529E-05 3.4725E-05 2.3997E-05 1.8448E-05 1.2724E-05 9.7669E-06 7.9550E-06 6.7237E-06 5.1548E-06 4.1935E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 6.0702E+03 4.3288E+05 2.1931E+04 4.6634E+03 4.7606E+03 2.8326E+03 1.5500E+03 6.3078E+02 1.9847E+03 1.9839E+03 1.4390E+03 2.2445E+03 1.7762E+03 1.4058E+03 1.6312E+03 1.3121E+03 1.0766E+03 1.1436E+03 1.0466E+03 9.5779E+02 9.9910E+02 8.4032E+02 5.3735E+02 2.6214E+02 1.4865E+02 5.2169E+01 5.1872E+01 1.2678E+02 1.0000E+02 7.8902E+01 1.1077E+02 1.0540E+02 1.0032E+02 1.1592E+02 9.6751E+01 3.3942E+01 1.5856E+01 8.7219E+00 5.3330E+00 2.4400E+00 1.3269E+00 1.2864E+00 5.7651E+00 2.0865E+00 9.8452E-01 5.5160E-01 3.4590E-01 2.3474E-01 1.6890E-01 1.2712E-01 9.9100E-02 7.9455E-02 6.5185E-02 5.4508E-02 3.9901E-02 3.4779E-02 3.0627E-02 2.4372E-02 2.1980E-02 2.1046E-02 1.4214E-02 1.3193E-02 1.1480E-02 1.0110E-02 8.9969E-03 7.3127E-03 6.1107E-03 5.8920E-03 5.2161E-03 3.9841E-03 3.1890E-03 2.0843E-03 1.5257E-03 1.1943E-03 9.7723E-04 8.2493E-04 7.1260E-04 6.2646E-04 5.5869E-04 5.0360E-04 4.5851E-04 4.2043E-04 3.8830E-04 3.6049E-04 3.1539E-04 2.8029E-04 2.5212E-04 2.2906E-04 2.0984E-04 1.9358E-04 1.7965E-04 1.3204E-04 1.0434E-04 8.6220E-05 6.3996E-05 5.0873E-05 3.3618E-05 2.5113E-05 1.6671E-05 1.2475E-05 9.9667E-06 8.3006E-06 6.2187E-06 4.9712E-06 3.3105E-06 2.4824E-06 1.6542E-06 1.2402E-06 9.9208E-07 8.2682E-07 6.1998E-07 4.9604E-07 3.3051E-07 2.4794E-07 1.6528E-07 1.2397E-07 9.9154E-08 8.2628E-08 6.1971E-08 4.9577E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 4.1179E-04 6.5199E-04 1.2645E-03 1.9963E-03 2.7836E-03 4.3785E-03 5.9298E-03 6.2673E-03 7.4324E-03 1.0179E-02 1.2632E-02 1.7922E-02 2.2339E-02 2.6144E-02 2.9487E-02 3.2511E-02 3.5293E-02 3.7831E-02 4.0180E-02 4.2367E-02 4.4419E-02 4.6337E-02 4.8146E-02 4.9820E-02 5.2844E-02 5.5545E-02 5.8002E-02 6.0243E-02 6.2295E-02 6.4158E-02 6.5914E-02 7.2961E-02 7.8200E-02 8.2277E-02 8.8245E-02 9.2430E-02 9.9100E-02 1.0304E-01 1.0763E-01 1.1025E-01 1.1198E-01 1.1322E-01 1.1487E-01 1.1592E-01 1.1746E-01 1.1830E-01 1.1919E-01 1.1968E-01 1.2000E-01 1.2022E-01 1.2049E-01 1.2068E-01 1.2092E-01 1.2105E-01 1.2119E-01 1.2124E-01 1.2130E-01 1.2132E-01 1.2138E-01 1.2140E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.0595E-08 2.6839E-06 9.4455E-06 3.8479E-05 7.6526E-05 1.1730E-04 1.5780E-04 1.9696E-04 2.3433E-04 2.6973E-04 3.0324E-04 3.3456E-04 3.6427E-04 3.9235E-04 4.1881E-04 4.4392E-04 4.9037E-04 5.3249E-04 5.7084E-04 6.0594E-04 6.3834E-04 6.6832E-04 6.9586E-04 8.1008E-04 8.9568E-04 9.6292E-04 1.0634E-03 1.1357E-03 1.2540E-03 1.3272E-03 1.4160E-03 1.4689E-03 1.5049E-03 1.5311E-03 1.5670E-03 1.5910E-03 1.6264E-03 1.6466E-03 1.6685E-03 1.6815E-03 1.6893E-03 1.6947E-03 1.7023E-03 1.7068E-03 1.7131E-03 1.7168E-03 1.7203E-03 1.7228E-03 1.7241E-03 1.7249E-03 1.7257E-03 1.7266E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/K.mat0000644000276300001750000001667613136054446020171 0ustar solebliss00000000000000Potassium 1 19 1.000000 2 7 91 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 3.0000E-03 3.6074E-03 3.6074E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 3.3470E+00 3.0438E+01 3.9862E+00 3.0790E+00 2.8171E+00 2.3273E+00 2.0655E+00 2.0655E+00 1.9161E+00 1.5988E+00 1.3602E+00 1.0415E+00 8.3620E-01 5.2261E-01 3.4902E-01 1.8730E-01 1.1846E-01 8.2142E-02 6.0301E-02 3.6288E-02 2.4136E-02 1.1290E-02 6.5107E-03 4.2253E-03 2.9588E-03 2.1851E-03 1.6789E-03 1.3300E-03 1.0794E-03 8.9338E-04 7.5149E-04 6.4083E-04 4.8188E-04 4.2372E-04 3.7550E-04 3.0082E-04 2.7155E-04 2.6000E-04 1.7389E-04 1.6079E-04 1.3867E-04 1.2082E-04 1.0620E-04 8.3927E-05 6.7987E-05 6.5091E-05 5.6189E-05 4.0231E-05 3.0220E-05 1.7004E-05 1.0883E-05 7.5580E-06 5.5526E-06 4.2511E-06 3.3593E-06 2.7216E-06 2.2488E-06 1.8899E-06 1.6096E-06 1.3882E-06 1.2093E-06 1.0629E-06 8.3975E-07 6.8018E-07 5.6219E-07 4.7240E-07 4.0247E-07 3.4702E-07 3.0235E-07 1.7004E-07 1.0883E-07 7.5580E-08 4.2511E-08 2.7201E-08 1.2093E-08 6.8018E-09 3.0235E-09 1.7004E-09 1.0883E-09 7.5580E-10 4.2511E-10 2.7201E-10 1.2093E-10 6.8018E-11 3.0235E-11 1.7004E-11 1.0883E-11 7.5580E-12 4.2511E-12 2.7201E-12 1.2093E-12 6.8018E-13 3.0235E-13 1.7004E-13 1.0883E-13 7.5580E-14 4.2511E-14 2.7201E-14 INCOHERENT SCATTERING CROSS SECTION 1.2156E-02 2.2804E-03 5.4864E-03 1.9577E-02 2.7031E-02 4.1618E-02 4.9766E-02 4.9766E-02 5.4633E-02 6.5769E-02 7.5072E-02 8.9319E-02 9.9839E-02 1.1820E-01 1.2974E-01 1.4096E-01 1.4489E-01 1.4583E-01 1.4528E-01 1.4206E-01 1.3771E-01 1.2662E-01 1.1709E-01 1.0919E-01 1.0260E-01 9.7014E-02 9.2215E-02 8.8033E-02 8.4344E-02 8.1059E-02 7.8106E-02 7.5431E-02 7.0749E-02 6.8680E-02 6.6762E-02 6.3323E-02 6.1780E-02 6.1133E-02 5.5264E-02 5.4160E-02 5.2111E-02 5.0243E-02 4.8527E-02 4.5486E-02 4.2881E-02 4.2357E-02 4.0614E-02 3.6810E-02 3.3747E-02 2.8156E-02 2.4305E-02 2.1487E-02 1.9315E-02 1.7574E-02 1.6157E-02 1.4970E-02 1.3962E-02 1.3095E-02 1.2336E-02 1.1671E-02 1.1081E-02 1.0552E-02 9.6435E-03 8.8934E-03 8.2604E-03 7.7182E-03 7.2484E-03 6.8372E-03 6.4737E-03 5.1445E-03 4.2942E-03 3.6997E-03 2.9188E-03 2.4228E-03 1.7251E-03 1.3523E-03 9.5850E-04 7.5072E-04 6.2149E-04 5.3200E-04 4.1556E-04 3.4194E-04 2.3874E-04 1.8483E-04 1.2849E-04 9.9177E-05 8.1094E-05 6.8757E-05 5.2985E-05 4.3250E-05 2.9896E-05 2.2981E-05 1.5849E-05 1.2168E-05 9.9085E-06 8.3759E-06 6.4229E-06 5.2245E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 4.0540E+03 1.5977E+06 2.4503E+04 1.4149E+03 6.5646E+02 2.1748E+02 1.3061E+02 1.1986E+03 9.2354E+02 5.1722E+02 3.1899E+02 1.4575E+02 7.8137E+01 2.4382E+01 1.0454E+01 3.0836E+00 1.2775E+00 6.3982E-01 3.6227E-01 1.4680E-01 7.2638E-02 2.0254E-02 8.2558E-03 4.1681E-03 2.4151E-03 1.5402E-03 1.0542E-03 7.6165E-04 5.7467E-04 4.4895E-04 3.6011E-04 2.9497E-04 2.1027E-04 1.8283E-04 1.6163E-04 1.2831E-04 1.1369E-04 1.0762E-04 7.2869E-05 6.8031E-05 5.9576E-05 5.2661E-05 4.7067E-05 3.8661E-05 3.2669E-05 3.1575E-05 2.8187E-05 2.1964E-05 1.7898E-05 1.2133E-05 9.1229E-06 7.2885E-06 6.0609E-06 5.1814E-06 4.5237E-06 4.0124E-06 3.6042E-06 3.2700E-06 2.9927E-06 2.7586E-06 2.5584E-06 2.3843E-06 2.0994E-06 1.8760E-06 1.6943E-06 1.5449E-06 1.4203E-06 1.3137E-06 1.2220E-06 9.0598E-07 7.1976E-07 5.9700E-07 4.4513E-07 3.5472E-07 2.3535E-07 1.7605E-07 1.1714E-07 8.7748E-08 7.0143E-08 5.8422E-08 4.3789E-08 3.5025E-08 2.3335E-08 1.7497E-08 1.1663E-08 8.7471E-09 6.9958E-09 5.8299E-09 4.3728E-09 3.4979E-09 2.3319E-09 1.7482E-09 1.1658E-09 8.7440E-10 6.9943E-10 5.8283E-10 4.3712E-10 3.4979E-10 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 4.9057E-05 7.8631E-05 1.5765E-04 2.6015E-04 3.8268E-04 6.7530E-04 1.0130E-03 1.0914E-03 1.3751E-03 2.1164E-03 2.8495E-03 4.5853E-03 6.1241E-03 7.4995E-03 8.7225E-03 9.8237E-03 1.0820E-02 1.1724E-02 1.2545E-02 1.3297E-02 1.3995E-02 1.4642E-02 1.5247E-02 1.5818E-02 1.6850E-02 1.7790E-02 1.8622E-02 1.9392E-02 2.0085E-02 2.0732E-02 2.1317E-02 2.3766E-02 2.5599E-02 2.7016E-02 2.9126E-02 3.0651E-02 3.3115E-02 3.4625E-02 3.6412E-02 3.7459E-02 3.8137E-02 3.8645E-02 3.9307E-02 3.9739E-02 4.0370E-02 4.0724E-02 4.1094E-02 4.1294E-02 4.1417E-02 4.1510E-02 4.1633E-02 4.1710E-02 4.1803E-02 4.1864E-02 4.1926E-02 4.1957E-02 4.1972E-02 4.1987E-02 4.2003E-02 4.2003E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 1.1293E-07 3.3509E-06 1.1808E-05 4.8210E-05 9.6050E-05 1.4749E-04 1.9885E-04 2.4860E-04 2.9635E-04 3.4178E-04 3.8491E-04 4.2557E-04 4.6392E-04 5.0058E-04 5.3524E-04 5.6835E-04 6.2981E-04 6.8588E-04 7.3747E-04 7.8507E-04 8.2912E-04 8.7009E-04 9.0829E-04 1.0682E-03 1.1912E-03 1.2901E-03 1.4412E-03 1.5541E-03 1.7436E-03 1.8652E-03 2.0193E-03 2.1117E-03 2.1779E-03 2.2257E-03 2.2934E-03 2.3381E-03 2.4074E-03 2.4475E-03 2.4906E-03 2.5168E-03 2.5322E-03 2.5430E-03 2.5584E-03 2.5676E-03 2.5815E-03 2.5892E-03 2.5969E-03 2.6015E-03 2.6046E-03 2.6061E-03 2.6077E-03 2.6092E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Fm.mat0000644000276300001750000002371613136054446020332 0ustar solebliss00000000000000Fm 1 100 1.000000 15 4 3 3 3 3 5 3 3 3 3 6 3 3 8 78 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.0020E-03 1.0020E-03 1.0350E-03 1.0690E-03 1.0690E-03 1.2084E-03 1.3660E-03 1.3660E-03 1.5000E-03 1.7470E-03 1.7470E-03 1.8395E-03 1.9370E-03 1.9370E-03 2.0000E-03 3.0000E-03 4.0000E-03 4.4980E-03 4.4980E-03 4.6301E-03 4.7660E-03 4.7660E-03 5.0000E-03 5.3970E-03 5.3970E-03 6.0000E-03 6.7930E-03 6.7930E-03 6.9960E-03 7.2050E-03 7.2050E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 2.0900E-02 2.0900E-02 2.3671E-02 2.6810E-02 2.6810E-02 2.7251E-02 2.7700E-02 2.7700E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.4309E-01 1.4309E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.4972E+01 4.9053E-33 1.9200E+00 1.4970E+01 1.4970E+01 1.4933E+01 1.4895E+01 1.4895E+01 1.4740E+01 1.4551E+01 1.4551E+01 1.4380E+01 1.4068E+01 1.4068E+01 1.3945E+01 1.3813E+01 1.3813E+01 1.3729E+01 1.2391E+01 1.1110E+01 1.0515E+01 1.0515E+01 1.0364E+01 1.0210E+01 1.0210E+01 9.9528E+00 9.5335E+00 9.5335E+00 8.9432E+00 8.2428E+00 8.2428E+00 8.0763E+00 7.9102E+00 7.9102E+00 7.3270E+00 6.1253E+00 4.1882E+00 3.0521E+00 2.8975E+00 2.8975E+00 2.4778E+00 2.1025E+00 2.1025E+00 2.0575E+00 2.0135E+00 2.0135E+00 1.8095E+00 1.2105E+00 8.8120E-01 6.6734E-01 4.1975E-01 2.9139E-01 1.5973E-01 1.5973E-01 1.4722E-01 8.8448E-02 5.9235E-02 4.2608E-02 3.2194E-02 2.5204E-02 2.0268E-02 1.6652E-02 1.3925E-02 1.1817E-02 1.0155E-02 7.7334E-03 6.8351E-03 6.0844E-03 4.9125E-03 4.4505E-03 4.2678E-03 2.8882E-03 2.6759E-03 2.3161E-03 2.0243E-03 1.7842E-03 1.4162E-03 1.1513E-03 1.1030E-03 9.5430E-04 6.8608E-04 5.1673E-04 2.9186E-04 1.8720E-04 1.3017E-04 9.5710E-05 7.3316E-05 5.7950E-05 4.6941E-05 3.8813E-05 3.2606E-05 2.7804E-05 2.3963E-05 2.0882E-05 1.8355E-05 1.4504E-05 1.1749E-05 9.7092E-06 8.1585E-06 6.9522E-06 5.9941E-06 5.2235E-06 2.9373E-06 1.8802E-06 1.3059E-06 7.3457E-07 4.7012E-07 2.0892E-07 1.1752E-07 5.2235E-08 2.9373E-08 1.8802E-08 1.3056E-08 7.3457E-09 4.7012E-09 2.0892E-09 1.1752E-09 5.2235E-10 2.9373E-10 1.8802E-10 1.3056E-10 7.3457E-11 4.7012E-11 2.0892E-11 1.1752E-11 5.2235E-12 2.9373E-12 1.8802E-12 1.3056E-12 7.3457E-13 4.7012E-13 INCOHERENT SCATTERING CROSS SECTION 3.9118E-03 1.4605E+25 1.4605E+25 3.9235E-03 3.9235E-03 4.1051E-03 4.2795E-03 4.2795E-03 4.9984E-03 5.8302E-03 5.8302E-03 6.5446E-03 7.8657E-03 7.8657E-03 8.3608E-03 8.8823E-03 8.8823E-03 9.2196E-03 1.4471E-02 1.9386E-02 2.1693E-02 2.1693E-02 2.2286E-02 2.2890E-02 2.2890E-02 2.3916E-02 2.5602E-02 2.5602E-02 2.8038E-02 3.1107E-02 3.1107E-02 3.1839E-02 3.2582E-02 3.2582E-02 3.5417E-02 4.1905E-02 5.5210E-02 6.4767E-02 6.6196E-02 6.6196E-02 7.0110E-02 7.3855E-02 7.3855E-02 7.4336E-02 7.4816E-02 7.4816E-02 7.7111E-02 8.4536E-02 8.9174E-02 9.2032E-02 9.4445E-02 9.4562E-02 9.1938E-02 9.1938E-02 9.1353E-02 8.6808E-02 8.2296E-02 7.8189E-02 7.4546E-02 7.1302E-02 6.8393E-02 6.5774E-02 6.3406E-02 6.1253E-02 5.9284E-02 5.5791E-02 5.4226E-02 5.2764E-02 5.0133E-02 4.8956E-02 4.8464E-02 4.3920E-02 4.3054E-02 4.1446E-02 3.9984E-02 3.8647E-02 3.6269E-02 3.4199E-02 3.3777E-02 3.2383E-02 2.9379E-02 2.6961E-02 2.2499E-02 1.9437E-02 1.7184E-02 1.5448E-02 1.4061E-02 1.2928E-02 1.1977E-02 1.1173E-02 1.0477E-02 9.8708E-03 9.3391E-03 8.8659E-03 8.4443E-03 7.7181E-03 7.1161E-03 6.6102E-03 6.1768E-03 5.7997E-03 5.4718E-03 5.1813E-03 4.1179E-03 3.4363E-03 2.9608E-03 2.3356E-03 1.9386E-03 1.3806E-03 1.0824E-03 7.6713E-04 6.0082E-04 4.9729E-04 4.2584E-04 3.3262E-04 2.7359E-04 1.9111E-04 1.4790E-04 1.0283E-04 7.9383E-05 6.4907E-05 5.5046E-05 4.2397E-05 3.4620E-05 2.3916E-05 1.8395E-05 1.2686E-05 9.7396E-06 7.9313E-06 6.7039E-06 5.1415E-06 4.1811E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 7.1185E+03 3.5818E+05 2.3157E+04 7.0951E+03 7.4019E+03 7.2479E+03 7.0974E+03 7.3059E+03 5.9557E+03 4.8557E+03 5.1673E+03 4.3053E+03 3.1552E+03 3.1927E+03 2.8644E+03 2.5696E+03 2.6164E+03 2.4431E+03 1.0023E+03 5.1743E+02 3.9282E+02 8.5520E+02 8.1269E+02 7.7252E+02 1.0620E+03 9.6693E+02 7.9945E+02 9.3367E+02 7.1606E+02 5.2001E+02 5.5116E+02 5.1186E+02 4.7550E+02 4.9518E+02 3.8204E+02 2.1939E+02 7.8868E+01 3.7736E+01 3.3683E+01 7.8001E+01 5.5790E+01 3.9891E+01 5.7599E+01 5.5195E+01 5.2891E+01 6.0925E+01 4.9846E+01 2.4080E+01 1.3527E+01 8.4044E+00 3.9399E+00 2.1810E+00 8.4255E-01 3.2489E+00 2.9045E+00 1.4169E+00 8.1138E-01 5.1907E-01 3.5796E-01 2.6094E-01 1.9853E-01 1.5619E-01 1.2622E-01 1.0424E-01 8.7643E-02 6.4693E-02 5.6568E-02 4.9946E-02 3.9884E-02 3.6002E-02 3.4480E-02 2.3354E-02 2.1677E-02 1.8856E-02 1.6596E-02 1.4764E-02 1.1995E-02 1.0016E-02 9.6553E-03 8.5411E-03 6.5126E-03 5.2048E-03 3.3894E-03 2.4736E-03 1.9315E-03 1.5774E-03 1.3293E-03 1.1466E-03 1.0070E-03 8.9690E-04 8.0812E-04 7.3504E-04 6.7367E-04 6.2190E-04 5.7716E-04 5.0455E-04 4.4786E-04 4.0265E-04 3.6565E-04 3.3473E-04 3.0873E-04 2.8647E-04 2.1023E-04 1.6600E-04 1.3712E-04 1.0171E-04 8.0812E-05 5.3383E-05 3.9867E-05 2.6445E-05 1.9795E-05 1.5813E-05 1.3167E-05 9.8638E-06 7.8844E-06 5.2516E-06 3.9375E-06 2.6235E-06 1.9671E-06 1.5736E-06 1.3113E-06 9.8333E-07 7.8657E-07 5.2422E-07 3.9329E-07 2.6211E-07 1.9660E-07 1.5727E-07 1.3106E-07 9.8286E-08 7.8634E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 5.0431E-04 8.1226E-04 1.6128E-03 2.5743E-03 3.5918E-03 5.5659E-03 7.3949E-03 7.7884E-03 9.1311E-03 1.2201E-02 1.4848E-02 2.0395E-02 2.5017E-02 2.8835E-02 3.2372E-02 3.5581E-02 3.8532E-02 4.1249E-02 4.3802E-02 4.6168E-02 4.8370E-02 5.0455E-02 5.2399E-02 5.4226E-02 5.7552E-02 6.0504E-02 6.3221E-02 6.5680E-02 6.7952E-02 7.0037E-02 7.1934E-02 7.9735E-02 8.5544E-02 9.0064E-02 9.6693E-02 1.0138E-01 1.0869E-01 1.1304E-01 1.1813E-01 1.2103E-01 1.2293E-01 1.2429E-01 1.2609E-01 1.2726E-01 1.2892E-01 1.2986E-01 1.3080E-01 1.3141E-01 1.3176E-01 1.3199E-01 1.3230E-01 1.3248E-01 1.3274E-01 1.3291E-01 1.3302E-01 1.3314E-01 1.3319E-01 1.3321E-01 1.3323E-01 1.3328E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.0337E-08 2.6752E-06 9.4117E-06 3.8321E-05 7.6198E-05 1.1674E-04 1.5699E-04 1.9587E-04 2.3295E-04 2.6797E-04 3.0123E-04 3.3238E-04 3.6166E-04 3.8930E-04 4.1554E-04 4.4037E-04 4.8628E-04 5.2797E-04 5.6568E-04 6.0035E-04 6.3221E-04 6.6172E-04 6.8913E-04 8.0109E-04 8.8518E-04 9.5100E-04 1.0492E-03 1.1197E-03 1.2347E-03 1.3056E-03 1.3914E-03 1.4422E-03 1.4766E-03 1.5019E-03 1.5364E-03 1.5593E-03 1.5933E-03 1.6125E-03 1.6333E-03 1.6460E-03 1.6532E-03 1.6586E-03 1.6657E-03 1.6701E-03 1.6762E-03 1.6797E-03 1.6830E-03 1.6851E-03 1.6865E-03 1.6872E-03 1.6882E-03 1.6889E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/atomsf.lib0000644000276300001750000014444013136054446021244 0ustar solebliss00000000000000H 1 1 0.003038 0.493002 0.322912 0.140191 0.040810 10.510900 26.125700 3.142360 57.799698 0.000000 0.000000 0.000000 0.000000 H-1 1 2 0.002389 0.897661 0.565616 0.415815 0.116973 53.136799 15.187000 186.575989 3.567090 0.000000 0.000000 0.000000 0.000000 He 2 2 0.006400 0.873400 0.630900 0.311200 0.178000 9.103700 3.356800 22.927601 0.982100 0.000000 0.000000 0.000000 0.000000 Li 3 3 0.037700 1.128200 0.750800 0.617500 0.465300 3.954600 1.052400 85.390503 168.261002 0.001000 0.000000 0.000000 0.000000 Li+1 3 3 0.016700 0.696800 0.788800 0.341400 0.156300 4.623700 1.955700 0.631600 10.095300 0.001000 0.000000 0.000000 0.000000 Be 4 4 0.038500 1.591900 1.127800 0.539100 0.702900 43.642700 1.862300 103.483002 0.542000 0.003000 0.001000 0.000000 0.000000 Be+2 4 2 -6.109200 6.260300 0.884900 0.799300 0.164700 0.002700 0.831300 2.275800 5.114600 0.003000 0.001000 0.000000 0.000000 B 5 5 -0.193200 2.054500 1.332600 1.097900 0.706800 23.218500 1.021000 60.349800 0.140300 0.008000 0.004000 0.000000 0.001000 C 6 6 0.215600 2.310000 1.020000 1.588600 0.865000 20.843899 10.207500 0.568700 51.651199 0.017000 0.009000 0.002000 0.002000 Cv 6 6 0.286977 2.260690 1.561650 1.050750 0.839259 22.690701 0.656665 9.756180 55.594898 0.017000 0.009000 0.002000 0.002000 N 7 7 -11.528999 12.212600 3.132200 2.012500 1.166300 0.005700 9.893300 28.997499 0.582600 0.029000 0.018000 0.004000 0.003000 O 8 8 0.250800 3.048500 2.286800 1.546300 0.867000 13.277100 5.701100 0.323900 32.908897 0.047000 0.032000 0.008000 0.006000 O-1 8 9 21.941200 4.191600 1.639690 1.526730 -20.306999 12.857300 4.172360 47.017899 -0.014040 0.047000 0.032000 0.008000 0.006000 F 9 9 0.277600 3.539200 2.641200 1.517000 1.024300 10.282499 4.294400 0.261500 26.147600 0.069000 0.053000 0.014000 0.010000 F-1 9 10 0.653396 3.632200 3.510570 1.260640 0.940706 5.277560 14.735300 0.442258 47.343700 0.069000 0.053000 0.014000 0.010000 Ne 10 10 0.351500 3.955300 3.112500 1.454600 1.125100 8.404200 3.426200 0.230600 21.718399 0.097000 0.083000 0.021000 0.016000 Na 11 11 0.676000 4.762600 3.173600 1.267400 1.112800 3.285000 8.842199 0.313600 129.423996 0.129000 0.124000 0.030000 0.025000 Na+1 11 10 0.404000 3.256500 3.936200 1.399800 1.003200 2.667100 6.115300 0.200100 14.039000 0.129000 0.124000 0.030000 0.025000 Mg 12 12 0.858400 5.420400 2.173500 1.226900 2.307300 2.827500 79.261101 0.380800 7.193700 0.165000 0.177000 0.042000 0.036000 Mg+2 12 10 0.485300 3.498800 3.837800 1.328400 0.849700 2.167600 4.754200 0.185000 10.141100 0.165000 0.177000 0.042000 0.036000 Al 13 13 1.115100 6.420200 1.900200 1.593600 1.964600 3.038700 0.742600 31.547199 85.088600 0.204000 0.246000 0.056000 0.052000 Al+3 13 10 0.706786 4.174480 3.387600 1.202960 0.528137 1.938160 4.145530 0.228753 8.285240 0.204000 0.246000 0.056000 0.052000 Si 14 14 1.140700 6.291500 3.035300 1.989100 1.541000 2.438600 32.333698 0.678500 81.693695 0.244000 0.330000 0.072000 0.071000 Siv 14 14 1.247070 5.662690 3.071640 2.624460 1.393200 2.665200 38.663399 0.916946 93.545799 0.244000 0.330000 0.072000 0.071000 Si+4 14 10 0.746297 4.439180 3.203450 1.194530 0.416530 1.641670 3.437570 0.214900 6.653650 0.244000 0.330000 0.072000 0.071000 P 15 15 1.114900 6.434500 4.179100 1.780000 1.490800 1.906700 27.157000 0.526000 68.164497 0.283000 0.434000 0.090000 0.095000 S 16 16 0.866900 6.905300 5.203400 1.437900 1.586300 1.467900 22.215099 0.253600 56.172001 0.319000 0.557000 0.110000 0.124000 Cl 17 17 -9.557400 11.460400 7.196400 6.255600 1.645500 0.010400 1.166200 18.519400 47.778400 0.348000 0.702000 0.132000 0.159000 Cl-1 17 18 -16.378000 18.291500 7.208400 6.533700 2.338600 0.006600 1.171700 19.542400 60.448601 0.348000 0.702000 0.132000 0.159000 Ar 18 18 1.444500 7.484500 6.772300 0.653900 1.644200 0.907200 14.840700 43.898300 33.392899 0.366000 0.872000 0.155000 0.201000 K 19 19 1.422800 8.218599 7.439800 1.051900 0.865900 12.794900 0.774800 213.186996 41.684097 0.365000 1.066000 0.179000 0.250000 K+1 19 18 -4.997800 7.957800 7.491700 6.359000 1.191500 12.633100 0.767400 -0.002000 31.912800 0.365000 1.066000 0.179000 0.250000 Ca 20 20 1.375100 8.626600 7.387300 1.589900 1.021100 10.442100 0.659900 85.748398 178.436996 0.341000 1.286000 0.203000 0.306000 Ca+2 20 18 -14.875000 15.634800 7.951800 8.437200 0.853700 -0.007400 0.608900 10.311600 25.990499 0.341000 1.286000 0.203000 0.306000 Sc 21 21 1.332900 9.189000 7.367900 1.640900 1.468000 9.021299 0.572900 136.108002 51.353100 0.285000 1.533000 0.226000 0.372000 Sc+3 21 18 -6.666700 14.400800 8.027300 1.659430 1.579360 0.298540 7.962900 -0.286040 16.066200 0.285000 1.533000 0.226000 0.372000 Ti 22 22 1.280700 9.759500 7.355800 1.699100 1.902100 7.850800 0.500000 35.633801 116.104996 0.189000 1.807000 0.248000 0.446000 Ti+2 22 20 0.897155 9.114230 7.621740 2.279300 0.087899 7.524300 0.457585 19.536100 61.655800 0.189000 1.807000 0.248000 0.446000 Ti+3 22 19 -14.652000 17.734400 8.738160 5.256910 1.921340 0.220610 7.047160 -0.157620 15.976800 0.189000 1.807000 0.248000 0.446000 Ti+4 22 18 -13.280000 19.511400 8.234730 2.013410 1.520800 0.178847 6.670180 -0.292630 12.946400 0.189000 1.807000 0.248000 0.446000 V 23 23 1.219900 10.297100 7.351100 2.070300 2.057100 6.865700 0.438500 26.893799 102.477997 0.035000 2.110000 0.267000 0.530000 V+2 23 21 1.229800 10.106000 7.354100 2.288400 0.022300 6.881800 0.440900 20.300400 115.122002 0.035000 2.110000 0.267000 0.530000 V+3 23 19 0.656565 9.431410 7.741900 2.153430 0.016865 6.395350 0.383349 15.190800 63.969002 0.035000 2.110000 0.267000 0.530000 V+5 23 18 1.714300 15.688700 8.142080 2.030810 -9.576000 0.679003 5.401350 9.972780 0.940464 0.035000 2.110000 0.267000 0.530000 Cr 24 24 1.183200 10.640600 7.353700 3.324000 1.492200 6.103800 0.392000 20.262600 98.739899 -0.198000 2.443000 0.284000 0.624000 Cr+2 24 22 0.616898 9.540340 7.750900 3.582740 0.509107 5.660780 0.344261 13.307500 32.422401 -0.198000 2.443000 0.284000 0.624000 Cr+3 24 21 0.518275 9.680900 7.811360 2.876030 0.113575 5.594630 0.334393 12.828800 32.876099 -0.198000 2.443000 0.284000 0.624000 Mn 25 25 1.089600 11.281900 7.357300 3.019300 2.244100 5.340900 0.343200 17.867399 83.754303 -0.568000 2.808000 0.295000 0.729000 Mn+2 25 23 1.087400 10.806100 7.362000 3.526800 0.218400 5.279600 0.343500 14.343000 41.323502 -0.568000 2.808000 0.295000 0.729000 Mn+3 25 22 0.393974 9.845210 7.871940 3.565310 0.323613 4.917970 0.294393 10.817100 24.128099 -0.568000 2.808000 0.295000 0.729000 Mn+4 25 21 0.251877 9.962530 7.970570 2.760670 0.054447 4.848500 0.283303 10.485200 27.573000 -0.568000 2.808000 0.295000 0.729000 Fe 26 26 1.036900 11.769500 7.357300 3.522200 2.304500 4.761100 0.307200 15.353500 76.880501 -1.179000 3.204000 0.301000 0.845000 Fe+2 26 24 1.009700 11.042400 7.374000 4.134600 0.439900 4.653800 0.305300 12.054600 31.280899 -1.179000 3.204000 0.301000 0.845000 Fe+3 26 23 0.970700 11.176400 7.386300 3.394800 0.072400 4.614700 0.300500 11.672900 38.556599 -1.179000 3.204000 0.301000 0.845000 Co 27 27 1.011800 12.284100 7.340900 4.003400 2.348800 4.279100 0.278400 13.535900 71.169197 -2.464000 3.608000 0.299000 0.973000 Co+2 27 25 0.932400 11.229600 7.388300 4.739300 0.710800 4.123100 0.272600 10.244300 25.646599 -2.464000 3.608000 0.299000 0.973000 Co+3 27 24 0.286667 10.337999 7.881730 4.767950 0.725591 3.909690 0.238668 8.355830 18.349100 -2.464000 3.608000 0.299000 0.973000 Ni 28 28 1.034100 12.837600 7.292000 4.443800 2.380000 3.878500 0.256500 12.176300 66.342102 -2.956000 0.509000 0.285000 1.113000 Ni+2 28 26 0.861400 11.416600 7.400500 5.344200 0.977300 3.676600 0.244900 8.873000 22.162600 -2.956000 0.509000 0.285000 1.113000 Ni+3 28 25 0.386044 10.780600 7.758680 5.227460 0.847114 3.547700 0.223140 7.644680 16.967300 -2.956000 0.509000 0.285000 1.113000 Cu 29 29 1.191000 13.337999 7.167600 5.615800 1.673500 3.582800 0.247000 11.396600 64.812599 -2.019000 0.589000 0.263000 1.266000 Cu+1 29 28 0.890000 11.947500 7.357300 6.245500 1.557800 3.366900 0.227400 8.662500 25.848700 -2.019000 0.589000 0.263000 1.266000 Cu+2 29 27 1.144310 11.816800 7.111810 5.781350 1.145230 3.374840 0.244078 7.987600 19.896999 -2.019000 0.589000 0.263000 1.266000 Zn 30 30 1.304100 14.074300 7.031800 5.162500 2.410000 3.265500 0.233300 10.316299 58.709702 -1.612000 0.678000 0.222000 1.431000 Zn+2 30 28 0.780700 11.971900 7.386200 6.466800 1.394000 2.994600 0.203100 7.082600 18.099499 -1.612000 0.678000 0.222000 1.431000 Ga 31 31 1.718900 15.235400 6.700600 4.359100 2.962300 3.066900 0.241200 10.780500 61.413498 -1.354000 0.777000 0.163000 1.609000 Ga+3 31 28 1.535450 12.691999 6.698830 6.066920 1.006600 2.812620 0.227890 6.364410 14.412200 -1.354000 0.777000 0.163000 1.609000 Ge 32 32 2.131300 16.081600 6.374700 3.706800 3.683000 2.850900 0.251600 11.446800 54.762501 -1.163000 0.886000 0.081000 1.801000 Ge+4 32 28 1.455720 12.917200 6.700030 6.067910 0.859041 2.537180 0.205855 5.479130 11.603000 -1.163000 0.886000 0.081000 1.801000 As 33 33 2.531000 16.672300 6.070100 3.431300 4.277900 2.634500 0.264700 12.947900 47.797199 -1.011000 1.006000 -0.030000 2.007000 Se 34 34 2.840900 17.000599 5.819600 3.973100 4.354300 2.409800 0.272600 15.237200 43.816299 -0.879000 1.139000 -0.178000 2.223000 Br 35 35 2.955700 17.178900 5.235800 5.637700 3.985100 2.172300 16.579599 0.260900 41.432800 -0.767000 1.283000 -0.374000 2.456000 Br-1 35 36 3.177600 17.171799 6.333800 5.575400 3.727200 2.205900 19.334499 0.287100 58.153500 -0.767000 1.283000 -0.374000 2.456000 Kr 36 36 2.825000 17.355499 6.728600 5.549300 3.537500 1.938400 16.562300 0.226100 39.397202 -0.665000 1.439000 -0.652000 2.713000 Rb 37 37 3.487300 17.178400 9.643499 5.139900 1.529200 1.788800 17.315100 0.274800 164.933990 -0.574000 1.608000 -1.044000 2.973000 Rb+1 37 36 2.078200 17.581600 7.659800 5.898100 2.781700 1.713900 14.795700 0.160300 31.208700 -0.574000 1.608000 -1.044000 2.973000 Sr 38 38 2.506400 17.566299 9.818399 5.422000 2.669400 1.556400 14.098800 0.166400 132.376007 -0.465000 1.820000 -1.657000 3.264000 Sr+2 38 36 41.402500 18.087400 8.137300 2.565400 -34.193001 1.490700 12.696300 24.565100 -0.013800 -0.465000 1.820000 -1.657000 3.264000 Y 39 39 1.912130 17.775999 10.294600 5.726290 3.265880 1.402900 12.800600 0.125599 104.353996 -0.386000 2.025000 -2.951000 3.542000 Y+3 39 36 40.260201 17.926800 9.153100 1.767950 -33.108002 1.354170 11.214500 22.659901 -0.013190 -0.386000 2.025000 -2.951000 3.542000 Zr 40 40 2.069290 17.876499 10.948000 5.417320 3.657210 1.276180 11.916000 0.117622 87.662697 -0.314000 2.245000 -2.965000 0.560000 Zr+4 40 36 9.414539 18.166800 10.056200 1.011180 -2.647900 1.214800 10.148300 21.605400 -0.102760 -0.314000 2.245000 -2.965000 0.560000 Nb 41 41 3.755910 17.614201 12.014400 4.041830 3.533460 1.188650 11.766000 0.204785 69.795700 -0.248000 2.482000 -2.197000 0.621000 Nb+3 41 38 -12.912000 19.881199 18.065300 11.017700 1.947150 0.019175 1.133050 10.162100 28.338900 -0.248000 2.482000 -2.197000 0.621000 Nb+5 41 36 -6.393400 17.916300 13.341700 10.799000 0.337905 1.124460 0.028781 9.282060 25.722799 -0.248000 2.482000 -2.197000 0.621000 Mo 42 42 4.387500 3.702500 17.235600 12.887600 3.742900 0.277200 1.095800 11.004000 61.658401 -0.191000 2.735000 -1.825000 0.688000 Mo+3 42 39 -14.421000 21.166401 18.201700 11.742300 2.309510 0.014734 1.030310 9.536590 26.630699 -0.191000 2.735000 -1.825000 0.688000 Mo+5 42 37 -14.316000 21.014900 18.099199 11.463200 0.740625 0.014345 1.022380 8.788090 23.345200 -0.191000 2.735000 -1.825000 0.688000 Mo+6 42 36 0.344941 17.887100 11.175000 6.578910 0.000000 1.036490 8.480610 0.058881 0.000000 -0.191000 2.735000 -1.825000 0.688000 Tc 43 43 5.404280 19.130100 11.094800 4.649010 2.712630 0.864132 8.144870 21.570700 86.847198 -0.145000 3.005000 -0.590000 0.759000 Ru 44 44 5.378740 19.267399 12.918200 4.863370 1.567560 0.808520 8.434669 24.799700 94.292801 -0.105000 3.296000 -1.420000 0.836000 Ru+3 44 41 -3.189200 18.563801 13.288500 9.326019 3.009640 0.847329 8.371640 0.017662 22.886999 -0.105000 3.296000 -1.420000 0.836000 Ru+4 44 40 1.423570 18.500299 13.178699 4.713040 2.185350 0.844582 8.125340 0.364950 20.850399 -0.105000 3.296000 -1.420000 0.836000 Rh 45 45 5.328000 19.295700 14.350100 4.734250 1.289180 0.751536 8.217580 25.874901 98.606201 -0.077000 3.605000 -1.287000 0.919000 Rh+3 45 42 11.867800 18.878500 14.125900 3.325150 -6.198900 0.764252 7.844380 21.248699 -0.010360 -0.077000 3.605000 -1.287000 0.919000 Rh+4 45 41 11.283500 18.854500 13.980600 2.534640 -5.652600 0.760825 7.624360 19.331699 -0.010200 -0.077000 3.605000 -1.287000 0.919000 Pd 46 46 5.265930 19.331900 15.501699 5.295370 0.605844 0.698655 7.989290 25.205200 76.898598 -0.059000 3.934000 -1.177000 1.007000 Pd+2 46 44 5.291600 19.170099 15.209600 4.322340 0.000000 0.696219 7.555730 22.505699 0.000000 -0.059000 3.934000 -1.177000 1.007000 Pd+4 46 42 13.017400 19.249300 14.790000 2.892890 -7.949200 0.683839 7.148330 17.914400 0.005127 -0.059000 3.934000 -1.177000 1.007000 Ag 47 47 5.179000 19.280800 16.688499 4.804500 1.046300 0.644600 7.472600 24.660500 99.815598 -0.060000 4.282000 -1.085000 1.101000 Ag+1 47 46 5.215720 19.181200 15.971900 5.274750 0.357534 0.646179 7.191230 21.732599 66.114700 -0.060000 4.282000 -1.085000 1.101000 Ag+2 47 45 5.214040 19.164299 16.245600 4.370900 0.000000 0.645643 7.185440 21.407200 0.000000 -0.060000 4.282000 -1.085000 1.101000 Cd 48 48 5.069400 19.221399 17.644400 4.461000 1.602900 0.594600 6.908900 24.700800 87.482498 -0.079000 4.653000 -1.005000 1.202000 Cd+2 48 46 5.119370 19.151400 17.253500 4.471280 0.000000 0.597922 6.806390 20.252100 0.000000 -0.079000 4.653000 -1.005000 1.202000 In 49 49 4.939100 19.162399 18.559601 4.294800 2.039600 0.547600 6.377600 25.849899 92.802902 -0.126000 5.045000 -0.936000 1.310000 In+3 49 46 4.996350 19.104500 18.110800 3.788970 0.000000 0.551522 6.324700 17.359501 0.000000 -0.126000 5.045000 -0.936000 1.310000 Sn 50 50 4.782100 19.188900 19.100500 4.458500 2.466300 5.830300 0.503100 26.890900 83.957100 -0.194000 5.459000 -0.873000 1.424000 Sn+2 50 48 4.786100 19.109400 19.054800 4.564800 0.487000 0.503600 5.837800 23.375200 62.206100 -0.194000 5.459000 -0.873000 1.424000 Sn+4 50 46 3.918200 18.933300 19.713100 3.418200 0.019300 5.764000 0.465500 14.004900 -0.758300 -0.194000 5.459000 -0.873000 1.424000 Sb 51 51 4.590900 19.641800 19.045500 5.037100 2.682700 5.303400 0.460700 27.907400 75.282501 -0.287000 5.894000 -0.816000 1.546000 Sb+3 51 48 4.696260 18.975500 18.932999 5.107890 0.288753 0.467196 5.221260 19.590200 55.511299 -0.287000 5.894000 -0.816000 1.546000 Sb+5 51 46 4.692630 19.868500 19.030199 2.412530 0.000000 5.448530 0.467973 14.125900 0.000000 -0.287000 5.894000 -0.816000 1.546000 Te 52 52 4.352000 19.964399 19.013800 6.144870 2.523900 4.817420 0.420885 28.528400 70.840302 -0.418000 6.352000 -0.772000 1.675000 I 53 53 4.071200 20.147200 18.994900 7.513800 2.273500 4.347000 0.381400 27.765999 66.877602 -0.579000 6.835000 -0.726000 1.812000 I-1 53 54 4.071400 20.233200 18.997000 7.806900 2.886800 4.357900 0.381500 29.525900 84.930397 -0.579000 6.835000 -0.726000 1.812000 Xe 54 54 3.711800 20.293301 19.029800 8.976700 1.990000 3.928200 0.344000 26.465900 64.265800 -0.783000 7.348000 -0.684000 1.958000 Cs 55 55 3.335200 20.389200 19.106199 10.662000 1.495300 3.569000 0.310700 24.387899 213.903992 -1.022000 7.904000 -0.644000 2.119000 Cs+1 55 54 3.279100 20.352400 19.127800 10.282100 0.961500 3.552000 0.308600 23.712799 59.456497 -1.022000 7.904000 -0.644000 2.119000 Ba 56 56 2.773100 20.336100 19.297001 10.888000 2.695900 3.216000 0.275600 20.207300 167.201996 -1.334000 8.460000 -0.613000 2.282000 Ba+2 56 54 3.029020 20.180700 19.113600 10.905399 0.776340 3.213670 0.283310 20.055799 51.745998 -1.334000 8.460000 -0.613000 2.282000 La 57 57 2.146780 20.577999 19.598999 11.372700 3.287190 2.948170 0.244475 18.772600 133.123993 -1.716000 9.035999 -0.588000 2.452000 La+3 57 54 2.408600 20.248899 19.376301 11.632299 0.336048 2.920700 0.250698 17.821100 54.945297 -1.716000 9.035999 -0.588000 2.452000 Ce 58 58 1.862640 21.167099 19.769501 11.851299 3.330490 2.812190 0.226836 17.608299 127.112999 -2.170000 9.648000 -0.564000 2.632000 Ce+3 58 55 2.090130 20.803600 19.559000 11.936900 0.612376 2.776910 0.231540 16.540800 43.169201 -2.170000 9.648000 -0.564000 2.632000 Ce+4 58 54 1.591800 20.323500 19.818600 12.123300 0.144583 2.659410 0.218850 15.799200 62.235500 -2.170000 9.648000 -0.564000 2.632000 Pr 59 59 2.058300 22.043999 19.669701 12.385600 2.824280 2.773930 0.222087 16.766899 143.643997 -2.939000 10.535000 -0.530000 2.845000 Pr+3 59 56 1.771320 21.372700 19.749100 12.132900 0.975180 2.645200 0.214299 15.323000 36.406502 -2.939000 10.535000 -0.530000 2.845000 Pr+4 59 55 1.242850 20.941299 20.053900 12.466800 0.296689 2.544670 0.202481 14.813700 45.464298 -2.939000 10.535000 -0.530000 2.845000 Nd 60 60 1.984860 22.684500 19.684700 12.774000 2.851370 2.662480 0.210628 15.885000 137.903000 -3.431000 10.933000 -0.535000 3.018000 Nd+3 60 57 1.475880 21.961000 19.933899 12.120000 1.510310 2.527220 0.199237 14.178300 30.871700 -3.431000 10.933000 -0.535000 3.018000 Pm 61 61 2.028760 23.340500 19.609501 13.123500 2.875160 2.562700 0.202088 15.100900 132.720993 -4.357000 11.614000 -0.530000 3.225000 Pm+3 61 58 1.194990 22.552700 20.110800 12.067100 2.074920 2.417400 0.185769 13.127500 27.449100 -4.357000 11.614000 -0.530000 3.225000 Sm 62 62 2.209630 24.004200 19.425800 13.439600 2.896040 2.472740 0.196451 14.399600 128.007004 -5.696000 12.320000 -0.533000 3.442000 Sm+3 62 58 0.954586 23.150400 20.259899 11.920200 2.714880 2.316410 0.174081 12.157100 24.824200 -5.696000 12.320000 -0.533000 3.442000 Eu 63 63 2.574500 24.627399 19.088600 13.760300 2.922700 2.387900 0.194200 13.754600 123.173996 -7.718000 11.276000 -0.542000 3.669000 Eu+2 63 61 1.363890 24.006300 19.950399 11.803400 3.872430 2.277830 0.173530 11.609600 26.515600 -7.718000 11.276000 -0.542000 3.669000 Eu+3 63 60 0.759344 23.749699 20.374500 11.850900 3.265030 2.222580 0.163940 11.311000 22.996599 -7.718000 11.276000 -0.542000 3.669000 Gd 64 64 2.419600 25.070900 19.079800 13.851800 3.545450 2.253410 0.181951 12.933100 101.397995 -9.242000 11.946000 -0.564000 3.904000 Gd+3 64 61 0.645089 24.346600 20.420799 11.870800 3.714900 2.135530 0.155525 10.578199 21.702900 -9.242000 11.946000 -0.564000 3.904000 Tb 65 65 3.582240 25.897600 18.218500 14.316700 2.953540 2.242560 0.196143 12.664800 115.362000 -9.498000 9.242000 -0.591000 4.151000 Tb+3 65 62 0.691967 24.955900 20.327099 12.247100 3.773000 2.056010 0.149525 10.049900 21.277300 -9.498000 9.242000 -0.591000 4.151000 Dy 66 66 4.297280 26.507000 17.638300 14.559600 2.965770 2.180200 0.202172 12.189899 111.874001 -10.423000 9.748000 -0.619000 4.410000 Dy+3 66 63 0.689690 25.539499 20.286100 11.981200 4.500730 1.980400 0.143384 9.349720 19.580999 -10.423000 9.748000 -0.619000 4.410000 Ho 67 67 4.567960 26.904900 17.293999 14.558300 3.638370 2.070510 0.197940 11.440700 92.656601 -12.255000 3.704000 -0.666000 4.678000 Ho+3 67 64 0.852795 26.129601 20.099400 11.978800 4.936760 1.910720 0.139358 8.800180 18.590799 -12.255000 3.704000 -0.666000 4.678000 Er 68 68 5.920460 27.656300 16.428499 14.977900 2.982330 2.073560 0.223545 11.360400 105.703003 -9.733000 3.937000 -0.723000 4.958000 Er+3 68 65 1.176130 26.722000 19.774799 12.150600 5.173790 1.846590 0.137290 8.362249 17.897400 -9.733000 3.937000 -0.723000 4.958000 Tm 69 69 6.756210 28.181900 15.885099 15.154200 2.987060 2.028590 0.238849 10.997499 102.960999 -8.488000 4.181000 -0.795000 5.248000 Tm+3 69 66 1.639290 27.308300 19.332001 12.333900 5.383480 1.787110 0.136974 7.967780 17.292200 -8.488000 4.181000 -0.795000 5.248000 Yb 70 70 7.566720 28.664101 15.434500 15.308700 2.989630 1.988900 0.257119 10.664700 100.417000 -7.701000 4.432000 -0.884000 5.548000 Yb+2 70 68 3.709830 28.120899 17.681700 13.333500 5.146570 1.785030 0.159970 8.183040 20.389999 -7.701000 4.432000 -0.884000 5.548000 Yb+3 70 67 2.260010 27.891701 18.761400 12.607200 5.476470 1.732720 0.138790 7.644120 16.814301 -7.701000 4.432000 -0.884000 5.548000 Lu 71 71 7.976280 28.947599 15.220800 15.100000 3.716010 1.901820 9.985189 0.261033 84.329803 -7.133000 4.693000 -0.988000 5.858000 Lu+3 71 68 2.975730 28.462799 18.121000 12.842899 5.594150 1.682160 0.142292 7.337270 16.353500 -7.133000 4.693000 -0.988000 5.858000 Hf 72 72 8.581540 29.143999 15.172600 14.758600 4.300130 1.832620 9.599899 0.275116 72.028999 -6.715000 4.977000 -1.118000 6.185000 Hf+4 72 68 2.396990 28.813099 18.460100 12.728500 5.599270 1.591360 0.128903 6.762320 14.036600 -6.715000 4.977000 -1.118000 6.185000 Ta 73 73 9.243540 29.202400 15.229300 14.513500 4.764920 1.773330 9.370460 0.295977 63.364399 -6.351000 5.271000 -1.258000 6.523000 Ta+5 73 68 1.785550 29.158699 18.840700 12.826799 5.386950 1.507110 0.116741 6.315240 12.424400 -6.351000 5.271000 -1.258000 6.523000 W 74 74 9.887500 29.081800 15.430000 14.432700 5.119820 1.720290 9.225900 0.321703 57.056000 -6.048000 5.577000 -1.421000 6.872000 W+6 74 68 1.010740 29.493599 19.376301 13.054399 5.064120 1.427550 0.104621 5.936670 11.197200 -6.048000 5.577000 -1.421000 6.872000 Re 75 75 10.472000 28.762100 15.718900 14.556400 5.441740 1.671910 9.092270 0.350500 52.086098 -5.790000 5.891000 -1.598000 7.232000 Os 76 76 11.000500 28.189400 16.154999 14.930500 5.675890 1.629030 8.979480 0.382661 48.164700 -5.581000 6.221000 -1.816000 7.605000 Os+4 76 72 6.498040 30.418999 15.263700 14.745800 5.067950 1.371130 6.847060 0.165191 18.003000 -5.581000 6.221000 -1.816000 7.605000 Ir 77 77 11.472200 27.304899 16.729599 15.611500 5.833770 1.592790 8.865530 0.417916 45.001099 -5.391000 6.566000 -2.066000 7.990000 Ir+3 77 74 8.279030 30.415600 15.862000 13.614500 5.820080 1.343230 7.109090 0.204633 20.325399 -5.391000 6.566000 -2.066000 7.990000 Ir+4 77 73 6.968240 30.705799 15.551200 14.232600 5.536720 1.309230 6.719830 0.167252 17.491100 -5.391000 6.566000 -2.066000 7.990000 Pt 78 78 11.688300 27.005899 17.763901 15.713100 5.783700 1.512930 8.811740 0.424593 38.610298 -5.233000 6.925000 -2.352000 8.388000 Pt+2 78 76 9.853290 29.842899 16.722401 13.215300 6.352340 1.329270 7.389790 0.263297 22.942600 -5.233000 6.925000 -2.352000 8.388000 Pt+4 78 74 7.395340 30.961201 15.982900 13.734800 5.920340 1.248130 6.608340 0.168640 16.939199 -5.233000 6.925000 -2.352000 8.388000 Au 79 79 12.065800 16.881901 18.591299 25.558201 5.860000 0.461100 8.621600 1.482600 36.395599 -5.096000 7.297000 -2.688000 8.798000 Au+1 79 78 11.229900 28.010899 17.820400 14.335899 6.580770 1.353210 7.739500 0.356752 26.404301 -5.096000 7.297000 -2.688000 8.798000 Au+3 79 76 9.096800 30.688599 16.902901 12.780100 6.523540 1.219900 6.828720 0.212867 18.659000 -5.096000 7.297000 -2.688000 8.798000 Hg 80 80 12.608900 20.680901 19.041700 21.657499 5.967600 0.545000 8.448400 1.572900 38.324600 -4.990000 7.686000 -3.084000 9.223000 Hg+1 80 79 12.020500 25.085300 18.497299 16.888300 6.482160 1.395070 7.651050 0.443378 28.226200 -4.990000 7.686000 -3.084000 9.223000 Hg+2 80 78 10.626800 29.564100 18.059999 12.837400 6.899120 1.211520 7.056390 0.284738 20.748199 -4.990000 7.686000 -3.084000 9.223000 Tl 81 81 13.174600 27.544600 19.158400 15.538000 5.525930 0.655150 8.707510 1.963470 45.814899 -4.883000 8.089000 -3.556000 9.659000 Tl+1 81 80 12.525800 21.398500 20.472300 18.747799 6.828470 1.471100 0.517394 7.434630 28.848200 -4.883000 8.089000 -3.556000 9.659000 Tl+3 81 78 9.802700 30.869499 18.384100 11.932800 7.005740 1.100800 6.538520 0.219074 17.211399 -4.883000 8.089000 -3.556000 9.659000 Pb 82 82 13.411800 31.061699 13.063700 18.441999 5.969600 0.690200 2.357600 8.618000 47.257900 -4.818000 8.505000 -4.133000 10.102000 Pb+2 82 80 12.473400 21.788601 19.568199 19.140600 7.011070 1.336600 0.488383 6.772700 23.813200 -4.818000 8.505000 -4.133000 10.102000 Pb+4 82 78 8.084280 32.124397 18.800301 12.017500 6.968860 1.005660 6.109260 0.147041 14.714000 -4.818000 8.505000 -4.133000 10.102000 Bi 83 83 13.578199 33.368900 12.951000 16.587700 6.469200 0.704000 2.923800 8.793700 48.009300 -4.776000 8.930000 -4.861000 10.559000 Bi+3 83 80 12.471100 21.805300 19.502600 19.105301 7.102950 1.235600 6.241490 0.469999 20.318501 -4.776000 8.930000 -4.861000 10.559000 Bi+5 83 78 -6.799400 33.536400 25.094601 19.249699 6.915550 0.916540 0.390420 5.714140 12.828500 -4.776000 8.930000 -4.861000 10.559000 Po 84 84 13.677000 34.672600 15.473300 13.113800 7.025880 0.700999 3.550780 9.556419 47.004501 -4.756000 9.382999 -5.924000 11.042000 At 85 85 13.710800 35.316299 19.021099 9.498870 7.425180 0.685870 3.974580 11.382400 45.471500 -4.772000 9.843000 -7.444000 9.961000 Rn 86 86 13.690500 35.563099 21.281601 8.003700 7.443300 0.663100 4.069100 14.042200 44.247299 -4.787000 10.316999 -8.862000 10.403000 Fr 87 87 13.724700 35.929901 23.054699 12.143900 2.112530 0.646453 4.176190 23.105200 150.644989 -4.833000 10.802999 -7.912000 7.754000 Ra 88 88 13.621099 35.763000 22.906399 12.473900 3.210970 0.616341 3.871350 19.988701 142.324997 -4.898000 11.296000 -7.620000 8.105000 Ra+2 88 86 13.543100 35.215000 21.670000 7.913420 7.650780 0.604909 3.576700 12.601000 29.843599 -4.898000 11.296000 -7.620000 8.105000 Ac 89 89 13.526600 35.659698 23.103199 12.597700 4.086550 0.589092 3.651550 18.598999 117.019997 -4.994000 11.799000 -7.725000 8.472000 Ac+3 89 86 13.463699 35.173599 22.111200 8.192160 7.055450 0.579689 3.414370 12.918700 25.944300 -4.994000 11.799000 -7.725000 8.472000 Th 90 90 13.431400 35.564499 23.421900 12.747300 4.807030 0.563359 3.462040 17.830900 99.172195 -5.091000 12.330000 -8.127000 8.870000 Th+4 90 86 13.375999 35.100700 22.441799 9.785540 5.294440 0.555054 3.244980 13.466100 23.953300 -5.091000 12.330000 -8.127000 8.870000 Pa 91 91 13.428699 35.884701 23.294800 14.189100 4.172870 0.547751 3.415190 16.923500 105.250999 -5.216000 12.868000 -8.960000 9.284000 U 92 92 13.396600 36.022800 23.412800 14.949100 4.188000 0.529300 3.325300 16.092699 100.612999 -5.359000 13.409000 -10.673000 9.653999 U+3 92 89 13.309200 35.574699 22.525900 12.216499 5.370730 0.520480 3.122930 12.714800 26.339399 -5.359000 13.409000 -10.673000 9.653999 U+4 92 88 13.267099 35.371498 22.532600 12.029100 4.798400 0.516598 3.050530 12.572300 23.458200 -5.359000 13.409000 -10.673000 9.653999 U+6 92 86 13.166500 34.850899 22.758400 14.009900 1.214570 0.507079 2.890300 13.176700 25.201700 -5.359000 13.409000 -10.673000 9.653999 Np 93 93 13.357300 36.187401 23.596399 15.640200 4.185500 0.511929 3.253960 15.362200 97.490799 -5.529000 13.967000 -11.158000 4.148000 Np+3 93 90 13.254400 35.707397 22.612999 12.989799 5.432270 0.502322 3.038070 12.144899 25.492800 -5.529000 13.967000 -11.158000 4.148000 Np+4 93 89 13.211599 35.510300 22.578699 12.776600 4.921590 0.498626 2.966270 11.948400 22.750200 -5.529000 13.967000 -11.158000 4.148000 Np+6 93 87 13.113000 35.013599 22.728600 14.388400 1.756690 0.489810 2.810990 12.330000 22.658100 -5.529000 13.967000 -11.158000 4.148000 Pu 94 94 13.381200 36.525398 23.808300 16.770700 3.479470 0.499384 3.263710 14.945499 105.979996 -5.712000 14.535999 -9.725000 4.330000 Pu+3 94 91 13.199100 35.840000 22.716900 13.580700 5.660160 0.484936 2.961180 11.533100 24.399200 -5.712000 14.535999 -9.725000 4.330000 Pu+4 94 90 13.155500 35.649300 22.646000 13.359500 5.188310 0.481422 2.890200 11.316000 21.830099 -5.712000 14.535999 -9.725000 4.330000 Pu+6 94 88 13.058200 35.173599 22.718100 14.763500 2.286780 0.473204 2.738480 11.552999 20.930300 -5.712000 14.535999 -9.725000 4.330000 Am 95 95 13.359200 36.670601 24.099199 17.341499 3.493310 0.483629 3.206470 14.313600 102.272995 -5.930000 15.087000 -8.926000 4.511000 Cm 96 96 13.288700 36.648800 24.409599 17.399000 4.216650 0.465154 3.089970 13.434600 88.483398 -6.176000 15.634000 -8.416000 4.697000 Bk 97 97 13.275400 36.788101 24.773600 17.891899 4.232840 0.451018 3.046190 12.894600 86.002998 -6.498000 16.316999 -7.990000 4.908000 Cf 98 98 13.267400 36.918499 25.199499 18.331699 4.243910 0.437533 3.007750 12.404400 83.788101 -6.798000 16.930000 -7.683000 5.107000 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Pm.mat0000644000276300001750000002205213136054446020334 0ustar solebliss00000000000000Pm 1 61 1.000000 10 4 3 3 3 3 7 3 3 8 82 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.0269E-03 1.0269E-03 1.0391E-03 1.0515E-03 1.0515E-03 1.1945E-03 1.3569E-03 1.3569E-03 1.4130E-03 1.4714E-03 1.4714E-03 1.5000E-03 1.6530E-03 1.6530E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 6.4593E-03 6.4593E-03 6.7304E-03 7.0128E-03 7.0128E-03 7.2174E-03 7.4279E-03 7.4279E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 4.5184E-02 4.5184E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 9.6911E+00 2.5976E+24 4.4791E+01 9.6662E+00 9.6662E+00 9.6539E+00 9.6412E+00 9.6412E+00 9.4961E+00 9.3337E+00 9.3337E+00 9.2769E+00 9.2132E+00 9.2132E+00 9.1799E+00 9.0179E+00 9.0179E+00 8.6605E+00 7.6423E+00 6.7073E+00 5.9011E+00 5.2237E+00 4.9453E+00 4.9453E+00 4.7924E+00 4.6419E+00 4.6419E+00 4.5380E+00 4.4341E+00 4.4341E+00 4.1640E+00 3.3906E+00 2.2083E+00 1.5842E+00 9.2547E-01 6.0216E-01 4.9993E-01 4.9993E-01 4.2762E-01 3.2115E-01 1.9993E-01 1.3589E-01 6.6200E-02 3.9330E-02 2.6039E-02 1.8489E-02 1.3793E-02 1.0680E-02 8.5127E-03 6.9442E-03 5.7728E-03 4.8746E-03 4.1704E-03 3.1515E-03 2.7760E-03 2.4634E-03 1.9784E-03 1.7886E-03 1.7138E-03 1.1507E-03 1.0645E-03 9.1891E-04 8.0122E-04 7.0470E-04 5.5745E-04 4.5214E-04 4.3302E-04 3.7411E-04 2.6803E-04 2.0134E-04 1.1337E-04 7.2559E-05 5.0409E-05 3.7040E-05 2.8363E-05 2.2412E-05 1.8152E-05 1.5002E-05 1.2608E-05 1.0742E-05 9.2631E-06 8.0704E-06 7.0938E-06 5.6019E-06 4.5380E-06 3.7514E-06 3.1521E-06 2.6858E-06 2.3160E-06 2.0172E-06 1.1349E-06 7.2642E-07 5.0450E-07 2.8367E-07 1.8156E-07 8.0704E-08 4.5380E-08 2.0172E-08 1.1345E-08 7.2642E-09 5.0450E-09 2.8367E-09 1.8156E-09 8.0704E-10 4.5380E-10 2.0172E-10 1.1345E-10 7.2642E-11 5.0450E-11 2.8367E-11 1.8156E-11 8.0704E-12 4.5380E-12 2.0172E-12 1.1345E-12 7.2642E-13 5.0450E-13 2.8367E-13 1.8156E-13 INCOHERENT SCATTERING CROSS SECTION 6.2252E-03 1.4470E-18 1.0382E-03 6.4413E-03 6.4413E-03 6.5405E-03 6.6408E-03 6.6408E-03 7.7619E-03 9.0054E-03 9.0054E-03 9.4412E-03 9.8947E-03 9.8947E-03 1.0115E-02 1.1291E-02 1.1291E-02 1.3917E-02 2.1298E-02 2.8117E-02 3.4314E-02 3.9820E-02 4.2139E-02 4.2139E-02 4.3464E-02 4.4798E-02 4.4798E-02 4.5730E-02 4.6668E-02 4.6668E-02 4.9162E-02 5.7016E-02 7.2558E-02 8.3654E-02 9.6952E-02 1.0389E-01 1.0614E-01 1.0614E-01 1.0763E-01 1.0959E-01 1.1050E-01 1.0929E-01 1.0344E-01 9.7160E-02 9.1510E-02 8.6563E-02 8.2241E-02 7.8460E-02 7.5128E-02 7.2143E-02 6.9438E-02 6.6990E-02 6.4775E-02 6.0879E-02 5.9136E-02 5.7503E-02 5.4575E-02 5.3276E-02 5.2736E-02 4.7707E-02 4.6761E-02 4.5016E-02 4.3427E-02 4.1962E-02 3.9347E-02 3.7085E-02 3.6628E-02 3.5113E-02 3.1837E-02 2.9202E-02 2.4369E-02 2.1049E-02 1.8605E-02 1.6723E-02 1.5222E-02 1.3992E-02 1.2966E-02 1.2093E-02 1.1341E-02 1.0684E-02 1.0107E-02 9.5955E-03 9.1384E-03 8.3530E-03 7.7047E-03 7.1561E-03 6.6865E-03 6.2793E-03 5.9219E-03 5.6102E-03 4.4549E-03 3.7198E-03 3.2053E-03 2.5279E-03 2.0982E-03 1.4940E-03 1.1715E-03 8.3031E-04 6.5037E-04 5.3816E-04 4.6087E-04 3.5997E-04 2.9614E-04 2.0683E-04 1.6008E-04 1.1129E-04 8.5898E-05 7.0231E-05 5.9551E-05 4.5879E-05 3.7468E-05 2.5894E-05 1.9906E-05 1.3730E-05 1.0539E-05 8.5815E-06 7.2559E-06 5.5645E-06 4.5256E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 2.0467E+03 1.4117E+05 7.3192E+03 1.9494E+03 2.5441E+03 3.8444E+03 5.7930E+03 7.1935E+03 6.3917E+03 5.6808E+03 6.5452E+03 5.9766E+03 5.4564E+03 5.7889E+03 5.5437E+03 4.4882E+03 4.6918E+03 3.0395E+03 1.1540E+03 5.6434E+02 3.2007E+02 2.0006E+02 1.6515E+02 4.6294E+02 4.1705E+02 3.7580E+02 5.1281E+02 4.7763E+02 4.4508E+02 5.1406E+02 4.2721E+02 2.4057E+02 8.1826E+01 3.7493E+01 1.2243E+01 5.4731E+00 3.8852E+00 2.2046E+01 1.6814E+01 1.0443E+01 4.7957E+00 2.5944E+00 8.3571E-01 3.7335E-01 2.0103E-01 1.2222E-01 8.0918E-02 5.7058E-02 4.2224E-02 3.2456E-02 2.5722E-02 2.0903E-02 1.7346E-02 1.2552E-02 1.0892E-02 9.5552E-03 7.5648E-03 6.8153E-03 6.5244E-03 4.3967E-03 4.0833E-03 3.5608E-03 3.1425E-03 2.8004E-03 2.2794E-03 1.9079E-03 1.8406E-03 1.6325E-03 1.2529E-03 1.0073E-03 6.6450E-04 4.8996E-04 3.8586E-04 3.1720E-04 2.6875E-04 2.3289E-04 2.0529E-04 1.8343E-04 1.6573E-04 1.5110E-04 1.3880E-04 1.2833E-04 1.1931E-04 1.0460E-04 9.3088E-05 8.3862E-05 7.6257E-05 6.9940E-05 6.4580E-05 5.9967E-05 4.4175E-05 3.4979E-05 2.8940E-05 2.1510E-05 1.7117E-05 1.1328E-05 8.4652E-06 5.6227E-06 4.2097E-06 3.3636E-06 2.8009E-06 2.0986E-06 1.6781E-06 1.1179E-06 8.3820E-07 5.5853E-07 4.1889E-07 3.3499E-07 2.7914E-07 2.0932E-07 1.6747E-07 1.1162E-07 8.3737E-08 5.5811E-08 4.1848E-08 3.3487E-08 2.7906E-08 2.0928E-08 1.6743E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 2.4136E-04 3.7498E-04 7.1066E-04 1.1158E-03 1.5698E-03 2.5687E-03 3.6321E-03 3.8702E-03 4.7137E-03 6.8273E-03 8.8267E-03 1.3298E-02 1.7130E-02 2.0425E-02 2.3343E-02 2.5961E-02 2.8342E-02 3.0528E-02 3.2543E-02 3.4413E-02 3.6159E-02 3.7775E-02 3.9276E-02 4.0668E-02 4.3178E-02 4.5422E-02 4.7500E-02 4.9328E-02 5.1032E-02 5.2570E-02 5.4024E-02 5.9842E-02 6.4164E-02 6.7530E-02 7.2517E-02 7.6049E-02 8.1618E-02 8.4984E-02 8.8849E-02 9.1093E-02 9.2589E-02 9.3628E-02 9.5041E-02 9.5955E-02 9.7243E-02 9.7991E-02 9.8739E-02 9.9155E-02 9.9446E-02 9.9612E-02 9.9861E-02 9.9986E-02 1.0024E-01 1.0032E-01 1.0044E-01 1.0048E-01 1.0053E-01 1.0057E-01 1.0061E-01 1.0061E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.7792E-08 2.8994E-06 1.0211E-05 4.1640E-05 8.2865E-05 1.2708E-04 1.7109E-04 2.1364E-04 2.5433E-04 2.9298E-04 3.2946E-04 3.6387E-04 3.9625E-04 4.2721E-04 4.5630E-04 4.8372E-04 5.3484E-04 5.8138E-04 6.2377E-04 6.6283E-04 6.9899E-04 7.3223E-04 7.6340E-04 8.9140E-04 9.8781E-04 1.0643E-03 1.1794E-03 1.2625E-03 1.4001E-03 1.4861E-03 1.5912E-03 1.6544E-03 1.6976E-03 1.7292E-03 1.7728E-03 1.8019E-03 1.8455E-03 1.8705E-03 1.8979E-03 1.9141E-03 1.9237E-03 1.9307E-03 1.9399E-03 1.9457E-03 1.9540E-03 1.9586E-03 1.9627E-03 1.9661E-03 1.9677E-03 1.9686E-03 1.9698E-03 1.9706E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Zn.mat0000644000276300001750000002005013136054446020343 0ustar solebliss00000000000000Zinc 1 30 1.000000 5 4 3 3 9 87 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.0197E-03 1.0197E-03 1.0312E-03 1.0428E-03 1.0428E-03 1.1157E-03 1.1936E-03 1.1936E-03 1.5000E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 9.6586E-03 9.6586E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 2.5000E-01 3.0000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 5.2439E+00 7.0986E-20 1.6039E+00 5.2338E+00 5.2338E+00 5.2283E+00 5.2227E+00 5.2227E+00 5.1853E+00 5.1426E+00 5.1426E+00 4.9750E+00 4.6766E+00 4.0844E+00 3.5383E+00 3.0539E+00 2.6349E+00 1.9874E+00 1.6052E+00 1.6052E+00 1.5417E+00 9.3293E-01 6.4126E-01 3.5788E-01 2.2591E-01 1.5592E-01 1.1475E-01 7.0066E-02 4.7273E-02 2.2481E-02 1.3059E-02 8.5206E-03 8.5206E-03 5.9927E-03 3.4214E-03 2.7151E-03 2.2066E-03 1.8286E-03 1.5398E-03 1.3141E-03 9.8914E-04 8.7003E-04 7.7120E-04 6.1809E-04 5.5810E-04 5.3443E-04 3.5779E-04 3.3086E-04 2.8536E-04 2.4866E-04 2.1863E-04 1.7285E-04 1.3999E-04 1.3400E-04 1.1563E-04 8.2819E-05 6.2247E-05 3.5024E-05 2.2416E-05 1.5564E-05 1.1438E-05 8.7574E-06 6.9201E-06 5.6049E-06 4.6324E-06 3.8929E-06 3.3164E-06 2.8596E-06 2.4912E-06 2.1891E-06 1.7305E-06 1.4017E-06 1.1586E-06 9.7345E-07 8.2914E-07 7.1494E-07 6.2284E-07 3.5033E-07 2.2416E-07 1.5573E-07 8.7574E-08 5.6049E-08 2.4912E-08 1.4008E-08 6.2275E-09 3.5033E-09 2.2416E-09 1.5573E-09 8.7574E-10 5.6049E-10 2.4912E-10 1.4008E-10 6.2275E-11 3.5033E-11 2.2416E-11 1.5573E-11 8.7574E-12 5.6049E-12 2.4912E-12 1.4008E-12 6.2275E-13 3.5033E-13 2.2416E-13 1.5573E-13 8.7574E-14 5.6049E-14 INCOHERENT SCATTERING CROSS SECTION 6.5802E-03 2.0245E+24 1.2796E-02 6.7865E-03 6.7865E-03 6.9073E-03 7.0297E-03 7.0297E-03 7.8018E-03 8.6349E-03 8.6349E-03 1.1917E-02 1.7001E-02 2.6376E-02 3.5227E-02 4.3543E-02 5.1224E-02 6.4762E-02 7.4358E-02 7.4358E-02 7.6145E-02 9.6608E-02 1.0913E-01 1.2276E-01 1.2884E-01 1.3114E-01 1.3151E-01 1.2976E-01 1.2654E-01 1.1751E-01 1.0923E-01 1.0220E-01 1.0220E-01 9.6240E-02 8.6671E-02 8.2799E-02 7.9377E-02 7.6321E-02 7.3566E-02 7.1066E-02 6.6686E-02 6.4752E-02 6.2961E-02 5.9734E-02 5.8269E-02 5.7652E-02 5.2135E-02 5.1096E-02 4.9164E-02 4.7402E-02 4.5788E-02 4.2929E-02 4.0467E-02 3.9970E-02 3.8318E-02 3.4732E-02 3.1847E-02 2.6570E-02 2.2950E-02 2.0279E-02 1.8235E-02 1.6596E-02 1.5251E-02 1.4137E-02 1.3179E-02 1.2359E-02 1.1650E-02 1.1015E-02 1.0462E-02 9.9648E-03 9.1046E-03 8.3964E-03 7.7987E-03 7.2875E-03 6.8427E-03 6.4550E-03 6.1124E-03 4.8571E-03 4.0541E-03 3.4932E-03 2.7546E-03 2.2867E-03 1.6283E-03 1.2764E-03 9.0493E-04 7.0877E-04 5.8665E-04 5.0229E-04 3.9233E-04 3.2280E-04 2.2545E-04 1.7443E-04 1.2129E-04 9.3661E-05 7.6559E-05 6.4918E-05 5.0017E-05 4.0835E-05 2.8218E-05 2.1698E-05 1.4966E-05 1.1484E-05 9.3569E-06 7.9073E-06 6.0636E-06 4.9326E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 1.5481E+03 3.4346E+05 7.8700E+03 1.4791E+03 3.5208E+03 4.7830E+03 6.4881E+03 8.2334E+03 7.7875E+03 7.3677E+03 8.3908E+03 4.8194E+03 2.3696E+03 8.2702E+02 3.8303E+02 2.0869E+02 1.2636E+02 5.6685E+01 3.3375E+01 2.5188E+02 2.3144E+02 8.0142E+01 3.6442E+01 1.1586E+01 5.0293E+00 2.6054E+00 1.5141E+00 6.3666E-01 3.2353E-01 9.4122E-02 3.9445E-02 2.0291E-02 2.0291E-02 1.1917E-02 5.2983E-03 3.8522E-03 2.9204E-03 2.2897E-03 1.8428E-03 1.5147E-03 1.0838E-03 9.4122E-04 8.2961E-04 6.5750E-04 5.8554E-04 5.5626E-04 3.7603E-04 3.5047E-04 3.0650E-04 2.7076E-04 2.4172E-04 1.9784E-04 1.6651E-04 1.6080E-04 1.4316E-04 1.1094E-04 9.0005E-05 6.0442E-05 4.5145E-05 3.5899E-05 2.9738E-05 2.5354E-05 2.2075E-05 1.9543E-05 1.7526E-05 1.5877E-05 1.4514E-05 1.3363E-05 1.2387E-05 1.1530E-05 1.0140E-05 9.0484E-06 8.1670E-06 7.4413E-06 6.8344E-06 6.3187E-06 5.8748E-06 4.3469E-06 3.4490E-06 2.8587E-06 2.1293E-06 1.6964E-06 1.1245E-06 8.4120E-07 5.5930E-07 4.1885E-07 3.3477E-07 2.7887E-07 2.0897E-07 1.6715E-07 1.1134E-07 8.3494E-08 5.5644E-08 4.1729E-08 3.3375E-08 2.7813E-08 2.0860E-08 1.6688E-08 1.1125E-08 8.3429E-09 5.5617E-09 4.1710E-09 3.3366E-09 2.7804E-09 2.0860E-09 1.6688E-09 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 8.4535E-05 1.3340E-04 2.6075E-04 4.2235E-04 6.1324E-04 1.0646E-03 1.5785E-03 1.6964E-03 2.1222E-03 3.2357E-03 4.3340E-03 6.8888E-03 9.1405E-03 1.1134E-02 1.2912E-02 1.4514E-02 1.5960E-02 1.7268E-02 1.8456E-02 1.9552E-02 2.0556E-02 2.1495E-02 2.2370E-02 2.3190E-02 2.4700E-02 2.6045E-02 2.7260E-02 2.8356E-02 2.9369E-02 3.0290E-02 3.1147E-02 3.4637E-02 3.7253E-02 3.9288E-02 4.2318E-02 4.4473E-02 4.7917E-02 4.9971E-02 5.2366E-02 5.3738E-02 5.4640E-02 5.5294E-02 5.6151E-02 5.6713E-02 5.7514E-02 5.7956E-02 5.8426E-02 5.8683E-02 5.8840E-02 5.8950E-02 5.9098E-02 5.9190E-02 5.9319E-02 5.9383E-02 5.9457E-02 5.9494E-02 5.9521E-02 5.9540E-02 5.9558E-02 5.9567E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 1.0658E-07 3.1623E-06 1.1144E-05 4.5495E-05 9.0613E-05 1.3916E-04 1.8741E-04 2.3429E-04 2.7923E-04 3.2187E-04 3.6230E-04 4.0043E-04 4.3644E-04 4.7079E-04 5.0330E-04 5.3425E-04 5.9162E-04 6.4393E-04 6.9191E-04 7.3612E-04 7.7692E-04 8.1495E-04 8.5032E-04 9.9740E-04 1.1107E-03 1.2000E-03 1.3363E-03 1.4358E-03 1.6015E-03 1.7056E-03 1.8345E-03 1.9110E-03 1.9644E-03 2.0031E-03 2.0565E-03 2.0924E-03 2.1458E-03 2.1762E-03 2.2085E-03 2.2278E-03 2.2398E-03 2.2481E-03 2.2591E-03 2.2665E-03 2.2757E-03 2.2821E-03 2.2867E-03 2.2904E-03 2.2923E-03 2.2941E-03 2.2950E-03 2.2959E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Ge.mat0000644000276300001750000002005013136054446020307 0ustar solebliss00000000000000Germanium 1 32 1.000000 5 4 3 3 10 86 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.2167E-03 1.2167E-03 1.2322E-03 1.2478E-03 1.2478E-03 1.3284E-03 1.4143E-03 1.4143E-03 1.5000E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.1103E-02 1.1103E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 2.5000E-01 3.0000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 5.3387E+00 1.2721E+02 6.2624E+00 5.2093E+00 5.2093E+00 5.1998E+00 5.1903E+00 5.1903E+00 5.1430E+00 5.0916E+00 5.0916E+00 5.0360E+00 4.7125E+00 4.1038E+00 3.5771E+00 3.1226E+00 2.7270E+00 2.0917E+00 1.6355E+00 1.4456E+00 1.4456E+00 9.8779E-01 6.7669E-01 3.8035E-01 2.4110E-01 1.6637E-01 1.2233E-01 7.4677E-02 5.0451E-02 2.4077E-02 1.4000E-02 9.1412E-03 9.1412E-03 6.4327E-03 3.6750E-03 2.9178E-03 2.3720E-03 1.9658E-03 1.6554E-03 1.4132E-03 1.0644E-03 9.3637E-04 8.3004E-04 6.6520E-04 6.0064E-04 5.7518E-04 3.8508E-04 3.5611E-04 3.0717E-04 2.6764E-04 2.3526E-04 1.8592E-04 1.5070E-04 1.4431E-04 1.2464E-04 8.9250E-05 6.7014E-05 3.7704E-05 2.4135E-05 1.6762E-05 1.2316E-05 9.4301E-06 7.4495E-06 6.0346E-06 4.9871E-06 4.1909E-06 3.5705E-06 3.0787E-06 2.6822E-06 2.3571E-06 1.8628E-06 1.5086E-06 1.2466E-06 1.0475E-06 8.9241E-07 7.6975E-07 6.7055E-07 3.7720E-07 2.4135E-07 1.6762E-07 9.4301E-08 6.0346E-08 2.6822E-08 1.5086E-08 6.7047E-09 3.7712E-09 2.4135E-09 1.6762E-09 9.4301E-10 6.0346E-10 2.6822E-10 1.5086E-10 6.7047E-11 3.7712E-11 2.4135E-11 1.6762E-11 9.4301E-12 6.0346E-12 2.6822E-12 1.5086E-12 6.7047E-13 3.7712E-13 2.4135E-13 1.6762E-13 9.4301E-14 6.0346E-14 INCOHERENT SCATTERING CROSS SECTION 6.1855E-03 7.3586E-02 2.4205E-03 8.4265E-03 8.4265E-03 8.5912E-03 8.7583E-03 8.7583E-03 9.6220E-03 1.0541E-02 1.0541E-02 1.1454E-02 1.6654E-02 2.6026E-02 3.4220E-02 4.1676E-02 4.8569E-02 6.0777E-02 7.1153E-02 7.6137E-02 7.6137E-02 9.0485E-02 1.0268E-01 1.1611E-01 1.2233E-01 1.2482E-01 1.2540E-01 1.2391E-01 1.2101E-01 1.1255E-01 1.0475E-01 9.8032E-02 9.8032E-02 9.2310E-02 8.3187E-02 7.9483E-02 7.6204E-02 7.3272E-02 7.0630E-02 6.8234E-02 6.4035E-02 6.2179E-02 6.0457E-02 5.7359E-02 5.5958E-02 5.5369E-02 5.0078E-02 4.9080E-02 4.7223E-02 4.5533E-02 4.3987E-02 4.1245E-02 3.8873E-02 3.8392E-02 3.6799E-02 3.3361E-02 3.0596E-02 2.5520E-02 2.2045E-02 1.9482E-02 1.7517E-02 1.5941E-02 1.4655E-02 1.3577E-02 1.2665E-02 1.1877E-02 1.1188E-02 1.0583E-02 1.0052E-02 9.5711E-03 8.7417E-03 8.0649E-03 7.4910E-03 7.0000E-03 6.5728E-03 6.2005E-03 5.8712E-03 4.6661E-03 3.8948E-03 3.3557E-03 2.6466E-03 2.1962E-03 1.5642E-03 1.2267E-03 8.6919E-04 6.8084E-04 5.6356E-04 4.8253E-04 3.7687E-04 3.1002E-04 2.1655E-04 1.6762E-04 1.1653E-04 8.9905E-05 7.3541E-05 6.2361E-05 4.8046E-05 3.9230E-05 2.7112E-05 2.0842E-05 1.4373E-05 1.1039E-05 8.9822E-06 7.5963E-06 5.8247E-06 4.7391E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 1.8868E+03 4.4541E+05 9.7756E+03 1.1852E+03 4.3559E+03 4.6516E+03 4.9663E+03 6.6500E+03 6.0740E+03 5.5486E+03 6.2817E+03 5.4698E+03 2.7063E+03 9.5711E+02 4.4612E+02 2.4409E+02 1.4813E+02 6.6749E+01 3.5713E+01 2.6590E+01 1.9665E+02 9.0403E+01 4.1436E+01 1.3353E+01 5.8430E+00 3.0438E+00 1.7749E+00 7.5150E-01 3.8351E-01 1.1246E-01 4.7324E-02 2.4415E-02 2.4415E-02 1.4373E-02 6.4119E-03 4.6670E-03 3.5415E-03 2.7793E-03 2.2385E-03 1.8406E-03 1.3171E-03 1.1437E-03 1.0080E-03 7.9911E-04 7.1202E-04 6.7661E-04 4.5715E-04 4.2602E-04 3.7253E-04 3.2910E-04 2.9377E-04 2.4033E-04 2.0212E-04 1.9515E-04 1.7364E-04 1.3443E-04 1.0898E-04 7.3093E-05 5.4540E-05 4.3335E-05 3.5871E-05 3.0563E-05 2.6607E-05 2.3546E-05 2.1108E-05 1.9126E-05 1.7475E-05 1.6090E-05 1.4904E-05 1.3884E-05 1.2200E-05 1.0881E-05 9.8199E-06 8.9490E-06 8.2183E-06 7.5971E-06 7.0630E-06 5.2251E-06 4.1452E-06 3.4353E-06 2.5586E-06 2.0378E-06 1.3511E-06 1.0102E-06 6.7163E-07 5.0302E-07 4.0208E-07 3.3482E-07 2.5097E-07 2.0071E-07 1.3370E-07 1.0027E-07 6.6815E-08 5.0103E-08 4.0084E-08 3.3399E-08 2.5047E-08 2.0038E-08 1.3361E-08 1.0019E-08 6.6782E-09 5.0086E-09 4.0067E-09 3.3391E-09 2.5039E-09 2.0038E-09 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 8.8993E-05 1.4017E-04 2.7310E-04 4.4123E-04 6.3947E-04 1.1068E-03 1.6347E-03 1.7550E-03 2.1896E-03 3.3312E-03 4.4604E-03 7.0713E-03 9.3720E-03 1.1396E-02 1.3204E-02 1.4829E-02 1.6306E-02 1.7641E-02 1.8860E-02 1.9971E-02 2.1008E-02 2.1962E-02 2.2849E-02 2.3687E-02 2.5213E-02 2.6582E-02 2.7817E-02 2.8945E-02 2.9974E-02 3.0919E-02 3.1790E-02 3.5348E-02 3.7994E-02 4.0067E-02 4.3136E-02 4.5317E-02 4.8792E-02 5.0874E-02 5.3288E-02 5.4673E-02 5.5593E-02 5.6240E-02 5.7111E-02 5.7675E-02 5.8488E-02 5.8936E-02 5.9417E-02 5.9674E-02 5.9840E-02 5.9948E-02 6.0097E-02 6.0188E-02 6.0321E-02 6.0387E-02 6.0462E-02 6.0503E-02 6.0520E-02 6.0537E-02 6.0561E-02 6.0570E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 1.0244E-07 3.0390E-06 1.0707E-05 4.3700E-05 8.7002E-05 1.3361E-04 1.7998E-04 2.2501E-04 2.6806E-04 3.0903E-04 3.4784E-04 3.8450E-04 4.1900E-04 4.5193E-04 4.8311E-04 5.1272E-04 5.6779E-04 6.1789E-04 6.6384E-04 7.0622E-04 7.4536E-04 7.8169E-04 8.1561E-04 9.5628E-04 1.0641E-03 1.1495E-03 1.2789E-03 1.3735E-03 1.5310E-03 1.6306E-03 1.7525E-03 1.8255E-03 1.8761E-03 1.9134E-03 1.9640E-03 1.9980E-03 2.0486E-03 2.0776E-03 2.1091E-03 2.1274E-03 2.1390E-03 2.1473E-03 2.1572E-03 2.1639E-03 2.1730E-03 2.1788E-03 2.1838E-03 2.1871E-03 2.1887E-03 2.1904E-03 2.1912E-03 2.1921E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/U.mat0000644000276300001750000002277213136054446020175 0ustar solebliss00000000000000U 1 92 1.000000 13 4 3 3 5 3 3 3 3 6 3 3 8 78 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.0449E-03 1.0449E-03 1.1531E-03 1.2726E-03 1.2726E-03 1.3541E-03 1.4408E-03 1.4408E-03 1.5000E-03 2.0000E-03 3.0000E-03 3.5517E-03 3.5517E-03 3.6386E-03 3.7276E-03 3.7276E-03 4.0000E-03 4.3034E-03 4.3034E-03 5.0000E-03 5.1822E-03 5.1822E-03 5.3620E-03 5.5480E-03 5.5480E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 1.7166E-02 1.7166E-02 2.0000E-02 2.0948E-02 2.0948E-02 2.1349E-02 2.1757E-02 2.1757E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.1561E-01 1.1561E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.3568E+01 1.2763E+02 1.5256E+01 1.3515E+01 1.3515E+01 1.3391E+01 1.3247E+01 1.3247E+01 1.3142E+01 1.3027E+01 1.3027E+01 1.2949E+01 1.2296E+01 1.1018E+01 1.0360E+01 1.0360E+01 1.0260E+01 1.0158E+01 1.0158E+01 9.8544E+00 9.5305E+00 9.5305E+00 8.8398E+00 8.6703E+00 8.6703E+00 8.5087E+00 8.3465E+00 8.3465E+00 7.9695E+00 6.5679E+00 5.4977E+00 3.7343E+00 3.2182E+00 3.2182E+00 2.6894E+00 2.5401E+00 2.5401E+00 2.4817E+00 2.4245E+00 2.4245E+00 1.5848E+00 1.0654E+00 7.6811E-01 5.7811E-01 3.6306E-01 2.5191E-01 1.9744E-01 1.9744E-01 1.2597E-01 7.5445E-02 5.0439E-02 3.6204E-02 2.7285E-02 2.1308E-02 1.7098E-02 1.4021E-02 1.1706E-02 9.9201E-03 8.5132E-03 6.4685E-03 5.7127E-03 5.0827E-03 4.0984E-03 3.7090E-03 3.5547E-03 2.4002E-03 2.2230E-03 1.9224E-03 1.6787E-03 1.4784E-03 1.1721E-03 9.5229E-04 9.1232E-04 7.8905E-04 5.6661E-04 4.2631E-04 2.4048E-04 1.5413E-04 1.0712E-04 7.8734E-05 6.0290E-05 4.7665E-05 3.8608E-05 3.1903E-05 2.6818E-05 2.2854E-05 1.9706E-05 1.7166E-05 1.5089E-05 1.1924E-05 9.6570E-06 7.9822E-06 6.7070E-06 5.7153E-06 4.9284E-06 4.2934E-06 2.4149E-06 1.5456E-06 1.0732E-06 6.0366E-07 3.8633E-07 1.7174E-07 9.6595E-08 4.2934E-08 2.4149E-08 1.5456E-08 1.0732E-08 6.0366E-09 3.8633E-09 1.7174E-09 9.6595E-10 4.2934E-10 2.4149E-10 1.5456E-10 1.0732E-10 6.0366E-11 3.8633E-11 1.7174E-11 9.6595E-12 4.2934E-12 2.4149E-12 1.5456E-12 1.0732E-12 6.0366E-13 3.8633E-13 INCOHERENT SCATTERING CROSS SECTION 4.5262E-03 4.5960E+14 5.7419E-03 4.7944E-03 4.7944E-03 5.4284E-03 6.1201E-03 6.1201E-03 6.5971E-03 7.1068E-03 7.1068E-03 7.4534E-03 1.0343E-02 1.5952E-02 1.8886E-02 1.8886E-02 1.9335E-02 1.9790E-02 1.9790E-02 2.1158E-02 2.2644E-02 2.2644E-02 2.5882E-02 2.6666E-02 2.6666E-02 2.7441E-02 2.8235E-02 2.8235E-02 3.0082E-02 3.7469E-02 4.3971E-02 5.7052E-02 6.1428E-02 6.1428E-02 6.6261E-02 6.7703E-02 6.7703E-02 6.8297E-02 6.8892E-02 6.8892E-02 7.8329E-02 8.5767E-02 9.0346E-02 9.3053E-02 9.5179E-02 9.5103E-02 9.4344E-02 9.4344E-02 9.1586E-02 8.6830E-02 8.2220E-02 7.8051E-02 7.4349E-02 7.1068E-02 6.8147E-02 6.5527E-02 6.3157E-02 6.0998E-02 5.9020E-02 5.5520E-02 5.3965E-02 5.2519E-02 4.9900E-02 4.8703E-02 4.8197E-02 4.3668E-02 4.2812E-02 4.1220E-02 3.9772E-02 3.8449E-02 3.6090E-02 3.4003E-02 3.3573E-02 3.2163E-02 2.9178E-02 2.6793E-02 2.2360E-02 1.9317E-02 1.7078E-02 1.5352E-02 1.3973E-02 1.2845E-02 1.1904E-02 1.1102E-02 1.0413E-02 9.8088E-03 9.2800E-03 8.8095E-03 8.3895E-03 7.6684E-03 7.0714E-03 6.5679E-03 6.1378E-03 5.7633E-03 5.4370E-03 5.1486E-03 4.0910E-03 3.4155E-03 2.9424E-03 2.3210E-03 1.9263E-03 1.3718E-03 1.0755E-03 7.6229E-04 5.9708E-04 4.9436E-04 4.2327E-04 3.3042E-04 2.7198E-04 1.8990E-04 1.4697E-04 1.0219E-04 7.8885E-05 6.4490E-05 5.4699E-05 4.2125E-05 3.4408E-05 2.3774E-05 1.8279E-05 1.2607E-05 9.6773E-06 7.8810E-06 6.6615E-06 5.1081E-06 4.1568E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 6.6134E+03 4.0381E+05 2.2804E+04 6.1150E+03 6.5072E+03 5.4186E+03 4.5135E+03 4.5768E+03 4.0498E+03 3.5850E+03 3.6559E+03 3.3674E+03 1.8527E+03 7.5824E+02 5.1536E+02 1.2554E+03 1.1760E+03 1.1018E+03 1.5716E+03 1.3189E+03 1.1008E+03 1.2820E+03 8.8019E+02 8.0302E+02 8.5236E+02 7.8333E+02 7.1979E+02 7.5065E+02 6.2036E+02 3.0411E+02 1.7356E+02 6.1479E+01 4.3339E+01 1.0368E+02 6.8310E+01 6.0391E+01 8.5767E+01 8.1653E+01 7.7747E+01 8.9714E+01 3.9620E+01 1.8679E+01 1.0353E+01 6.3630E+00 2.9373E+00 1.6076E+00 1.0859E+00 4.6021E+00 2.3734E+00 1.1357E+00 6.4186E-01 4.0505E-01 2.7642E-01 1.9984E-01 1.5099E-01 1.1808E-01 9.4931E-02 7.8076E-02 6.5437E-02 4.8058E-02 4.1922E-02 3.6926E-02 2.9399E-02 2.6540E-02 2.5427E-02 1.7184E-02 1.5947E-02 1.3876E-02 1.2220E-02 1.0875E-02 8.8376E-03 7.3800E-03 7.1144E-03 6.2949E-03 4.8058E-03 3.8456E-03 2.5093E-03 1.8345E-03 1.4348E-03 1.1732E-03 9.8948E-04 8.5438E-04 7.5090E-04 6.6919E-04 6.0315E-04 5.4876E-04 5.0322E-04 4.6476E-04 4.3137E-04 3.7722E-04 3.3523E-04 3.0132E-04 2.7375E-04 2.5075E-04 2.3127E-04 2.1459E-04 1.5764E-04 1.2453E-04 1.0290E-04 7.6355E-05 6.0695E-05 4.0101E-05 2.9955E-05 1.9878E-05 1.4876E-05 1.1883E-05 9.8948E-06 7.4129E-06 5.9253E-06 3.9468E-06 2.9601E-06 1.9719E-06 1.4788E-06 1.1828E-06 9.8544E-07 7.3901E-07 5.9126E-07 3.9417E-07 2.9550E-07 1.9704E-07 1.4778E-07 1.1823E-07 9.8518E-08 7.3876E-08 5.9101E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 4.4553E-04 7.0972E-04 1.3878E-03 2.1988E-03 3.0648E-03 4.7894E-03 6.4414E-03 6.8006E-03 8.0330E-03 1.0887E-02 1.3394E-02 1.8770E-02 2.3253E-02 2.7096E-02 3.0512E-02 3.3573E-02 3.6407E-02 3.8987E-02 4.1416E-02 4.3643E-02 4.5742E-02 4.7716E-02 4.9563E-02 5.1283E-02 5.4395E-02 5.7178E-02 5.9708E-02 6.2010E-02 6.4136E-02 6.6058E-02 6.7855E-02 7.5116E-02 8.0505E-02 8.4704E-02 9.0852E-02 9.5204E-02 1.0206E-01 1.0613E-01 1.1089E-01 1.1362E-01 1.1542E-01 1.1668E-01 1.1838E-01 1.1949E-01 1.2109E-01 1.2195E-01 1.2288E-01 1.2341E-01 1.2372E-01 1.2394E-01 1.2425E-01 1.2443E-01 1.2468E-01 1.2481E-01 1.2496E-01 1.2503E-01 1.2508E-01 1.2511E-01 1.2516E-01 1.2518E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 8.9671E-08 2.6576E-06 9.3559E-06 3.8127E-05 7.5799E-05 1.1613E-04 1.5623E-04 1.9494E-04 2.3190E-04 2.6691E-04 3.0006E-04 3.3092E-04 3.6027E-04 3.8785E-04 4.1416E-04 4.3896E-04 4.8475E-04 5.2649E-04 5.6419E-04 5.9885E-04 6.3073E-04 6.6033E-04 6.8765E-04 7.9999E-04 8.8424E-04 9.5052E-04 1.0494E-03 1.1205E-03 1.2369E-03 1.3093E-03 1.3966E-03 1.4487E-03 1.4844E-03 1.5102E-03 1.5458E-03 1.5696E-03 1.6050E-03 1.6250E-03 1.6468E-03 1.6599E-03 1.6678E-03 1.6733E-03 1.6807E-03 1.6855E-03 1.6916E-03 1.6954E-03 1.6989E-03 1.7012E-03 1.7027E-03 1.7035E-03 1.7045E-03 1.7052E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Ho.mat0000644000276300001750000002174213136054446020333 0ustar solebliss00000000000000Ho 1 67 1.000000 10 4 3 3 3 3 7 3 3 8 81 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.3514E-03 1.3514E-03 1.3713E-03 1.3915E-03 1.3915E-03 1.5000E-03 1.7412E-03 1.7412E-03 1.8297E-03 1.9228E-03 1.9228E-03 2.0000E-03 2.1283E-03 2.1283E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 8.0711E-03 8.0711E-03 8.4839E-03 8.9178E-03 8.9178E-03 9.1529E-03 9.3942E-03 9.3942E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 5.5618E-02 5.5618E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.0370E+01 6.3692E+01 1.1587E+01 1.0034E+01 1.0034E+01 1.0014E+01 9.9937E+00 9.9937E+00 9.8805E+00 9.6395E+00 9.6395E+00 9.5473E+00 9.4496E+00 9.4496E+00 9.3693E+00 9.2342E+00 9.2342E+00 8.3615E+00 7.4158E+00 6.5724E+00 5.8385E+00 4.6773E+00 4.6408E+00 4.6408E+00 4.4424E+00 4.2501E+00 4.2501E+00 4.1497E+00 4.0493E+00 4.0493E+00 3.8120E+00 2.4654E+00 1.7541E+00 1.0359E+00 6.7695E-01 4.7905E-01 4.0530E-01 4.0530E-01 3.5966E-01 2.2536E-01 1.5387E-01 7.5035E-02 4.4656E-02 2.9648E-02 2.1101E-02 1.5768E-02 1.2225E-02 9.7547E-03 7.9635E-03 6.6228E-03 5.5938E-03 4.7874E-03 3.6211E-03 3.1913E-03 2.8333E-03 2.2769E-03 2.0586E-03 1.9724E-03 1.3254E-03 1.2263E-03 1.0587E-03 9.2342E-04 8.1264E-04 6.4339E-04 5.2141E-04 4.9914E-04 4.3083E-04 3.0889E-04 2.3237E-04 1.3083E-04 8.3761E-05 5.8202E-05 4.2757E-05 3.2745E-05 2.5873E-05 2.0959E-05 1.7322E-05 1.4554E-05 1.2404E-05 1.0695E-05 9.3145E-06 8.1863E-06 6.4701E-06 5.2396E-06 4.3305E-06 3.6393E-06 3.1011E-06 2.6739E-06 2.3292E-06 1.3101E-06 8.3834E-07 5.8239E-07 3.2752E-07 2.0962E-07 9.3182E-08 5.2396E-08 2.3292E-08 1.3101E-08 8.3834E-09 5.8239E-09 3.2752E-09 2.0962E-09 9.3182E-10 5.2396E-10 2.3292E-10 1.3101E-10 8.3834E-11 5.8239E-11 3.2752E-11 2.0962E-11 9.3182E-12 5.2396E-12 2.3292E-12 1.3101E-12 8.3834E-13 5.8239E-13 3.2752E-13 2.0962E-13 INCOHERENT SCATTERING CROSS SECTION 5.1374E-03 7.6215E-03 2.3254E-03 7.4852E-03 7.4852E-03 7.6174E-03 7.7518E-03 7.7518E-03 8.4784E-03 1.0063E-02 1.0063E-02 1.0647E-02 1.1261E-02 1.1261E-02 1.1768E-02 1.2612E-02 1.2612E-02 1.8282E-02 2.4387E-02 3.0007E-02 3.5107E-02 4.3889E-02 4.4181E-02 4.4181E-02 4.5827E-02 4.7467E-02 4.7467E-02 4.8322E-02 4.9183E-02 4.9183E-02 5.1301E-02 6.6016E-02 7.6933E-02 9.0662E-02 9.7928E-02 1.0187E-01 1.0326E-01 1.0326E-01 1.0399E-01 1.0519E-01 1.0435E-01 9.9133E-02 9.3255E-02 8.7904E-02 8.3214E-02 7.9117E-02 7.5509E-02 7.2306E-02 6.9448E-02 6.6884E-02 6.4555E-02 6.2422E-02 5.8660E-02 5.6997E-02 5.5458E-02 5.2663E-02 5.1374E-02 5.0826E-02 4.6007E-02 4.5104E-02 4.3421E-02 4.1881E-02 4.0464E-02 3.7946E-02 3.5776E-02 3.5337E-02 3.3882E-02 3.0722E-02 2.8177E-02 2.3515E-02 2.0309E-02 1.7954E-02 1.6139E-02 1.4689E-02 1.3503E-02 1.2513E-02 1.1670E-02 1.0943E-02 1.0311E-02 9.7563E-03 9.2598E-03 8.8179E-03 8.0621E-03 7.4341E-03 6.9047E-03 6.4519E-03 6.0575E-03 5.7143E-03 5.4113E-03 4.3013E-03 3.5900E-03 3.0930E-03 2.4394E-03 2.0247E-03 1.4419E-03 1.1304E-03 8.0147E-04 6.2766E-04 5.1958E-04 4.4473E-04 3.4739E-04 2.8579E-04 1.9958E-04 1.5449E-04 1.0742E-04 8.2922E-05 6.7769E-05 5.7472E-05 4.4291E-05 3.6159E-05 2.4990E-05 1.9213E-05 1.3251E-05 1.0173E-05 8.2849E-06 7.0032E-06 5.3674E-06 4.3670E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 2.6056E+03 2.2690E+05 9.9964E+03 1.4529E+03 2.0583E+03 3.0368E+03 4.4765E+03 5.1812E+03 5.8385E+03 4.0274E+03 4.6664E+03 4.1518E+03 3.6951E+03 3.9252E+03 3.5812E+03 3.1190E+03 3.2570E+03 1.4561E+03 7.1895E+02 4.1041E+02 2.5771E+02 1.2232E+02 1.1954E+02 3.2365E+02 2.8428E+02 2.4971E+02 3.4206E+02 3.2085E+02 3.0101E+02 3.4793E+02 2.9733E+02 1.0351E+02 4.7978E+01 1.5883E+01 7.1639E+00 3.8448E+00 2.8520E+00 1.5412E+01 1.2630E+01 5.9115E+00 3.2343E+00 1.0618E+00 4.7978E-01 2.6062E-01 1.5956E-01 1.0622E-01 7.5217E-02 5.5848E-02 4.3049E-02 3.4201E-02 2.7849E-02 2.3144E-02 1.6786E-02 1.4583E-02 1.2809E-02 1.0154E-02 9.1429E-03 8.7486E-03 5.8969E-03 5.4763E-03 4.7730E-03 4.2100E-03 3.7507E-03 3.0524E-03 2.5526E-03 2.4617E-03 2.1814E-03 1.6720E-03 1.3433E-03 8.8435E-04 6.5067E-04 5.1155E-04 4.2027E-04 3.5560E-04 3.0788E-04 2.7122E-04 2.4223E-04 2.1871E-04 1.9933E-04 1.8304E-04 1.6920E-04 1.5726E-04 1.3780E-04 1.2257E-04 1.1038E-04 1.0037E-04 9.2013E-05 8.4930E-05 7.8869E-05 5.8093E-05 4.5970E-05 3.8010E-05 2.8243E-05 2.2467E-05 1.4865E-05 1.1107E-05 7.3757E-06 5.5208E-06 4.4108E-06 3.6732E-06 2.7527E-06 2.2007E-06 1.4660E-06 1.0990E-06 7.3246E-07 5.4916E-07 4.3925E-07 3.6623E-07 2.7454E-07 2.1963E-07 1.4642E-07 1.0980E-07 7.3209E-08 5.4879E-08 4.3925E-08 3.6586E-08 2.7447E-08 2.1959E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 2.7425E-04 4.2690E-04 8.1035E-04 1.2710E-03 1.7826E-03 2.8891E-03 4.0420E-03 4.2976E-03 5.1990E-03 7.4388E-03 9.5409E-03 1.4196E-02 1.8151E-02 2.1550E-02 2.4551E-02 2.7250E-02 2.9700E-02 3.1949E-02 3.4027E-02 3.5958E-02 3.7755E-02 3.9434E-02 4.1004E-02 4.2465E-02 4.5057E-02 4.7394E-02 4.9512E-02 5.1447E-02 5.3200E-02 5.4806E-02 5.6303E-02 6.2365E-02 6.6856E-02 7.0361E-02 7.5546E-02 7.9161E-02 8.4930E-02 8.8362E-02 9.2378E-02 9.4642E-02 9.6139E-02 9.7198E-02 9.8622E-02 9.9572E-02 1.0089E-01 1.0162E-01 1.0238E-01 1.0282E-01 1.0308E-01 1.0326E-01 1.0351E-01 1.0366E-01 1.0388E-01 1.0399E-01 1.0410E-01 1.0417E-01 1.0421E-01 1.0425E-01 1.0425E-01 1.0428E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.4278E-08 2.7958E-06 9.8476E-06 4.0165E-05 7.9891E-05 1.2250E-04 1.6493E-04 2.0593E-04 2.4511E-04 2.8228E-04 3.1745E-04 3.5053E-04 3.8156E-04 4.1114E-04 4.3925E-04 4.6591E-04 5.1484E-04 5.5975E-04 6.0028E-04 6.3789E-04 6.7221E-04 7.0434E-04 7.3392E-04 8.5624E-04 9.4825E-04 1.0209E-03 1.1297E-03 1.2086E-03 1.3382E-03 1.4185E-03 1.5164E-03 1.5752E-03 1.6150E-03 1.6442E-03 1.6844E-03 1.7110E-03 1.7508E-03 1.7734E-03 1.7979E-03 1.8125E-03 1.8216E-03 1.8279E-03 1.8362E-03 1.8414E-03 1.8487E-03 1.8527E-03 1.8567E-03 1.8593E-03 1.8607E-03 1.8618E-03 1.8629E-03 1.8636E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Cf.mat0000644000276300001750000002266213136054446020317 0ustar solebliss00000000000000Cf 1 98 1.000000 13 4 3 3 5 3 3 3 3 5 3 3 8 78 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.2790E-03 1.2790E-03 1.5000E-03 1.6160E-03 1.6160E-03 1.7050E-03 1.7990E-03 1.7990E-03 2.0000E-03 3.0000E-03 4.0000E-03 4.2530E-03 4.2530E-03 4.3733E-03 4.4970E-03 4.4970E-03 5.0000E-03 5.1090E-03 5.1090E-03 6.0000E-03 6.3590E-03 6.3590E-03 6.5535E-03 6.7540E-03 6.7540E-03 8.0000E-03 1.0000E-02 1.5000E-02 1.9930E-02 1.9930E-02 2.0000E-02 2.5250E-02 2.5250E-02 2.5676E-02 2.6110E-02 2.6110E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.3596E-01 1.3596E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.4696E+01 1.2003E+02 1.6364E+01 1.4377E+01 1.4377E+01 1.4091E+01 1.3938E+01 1.3938E+01 1.3826E+01 1.3707E+01 1.3707E+01 1.3434E+01 1.2096E+01 1.0832E+01 1.0532E+01 1.0532E+01 1.0393E+01 1.0251E+01 1.0251E+01 9.6995E+00 9.5868E+00 9.5868E+00 8.7209E+00 8.4043E+00 8.4043E+00 8.2389E+00 8.0733E+00 8.0733E+00 7.1571E+00 5.9890E+00 4.0918E+00 2.9861E+00 2.9861E+00 2.9741E+00 2.2121E+00 2.2121E+00 2.1642E+00 2.1174E+00 2.1174E+00 1.7600E+00 1.1798E+00 8.5674E-01 6.4783E-01 4.0726E-01 2.8278E-01 1.6888E-01 1.6888E-01 1.4252E-01 8.5554E-02 5.7284E-02 4.1182E-02 3.1088E-02 2.4321E-02 1.9552E-02 1.6060E-02 1.3425E-02 1.1388E-02 9.7815E-03 7.4440E-03 6.5791E-03 5.8575E-03 4.7288E-03 4.2813E-03 4.1038E-03 2.7751E-03 2.5712E-03 2.2252E-03 1.9445E-03 1.7134E-03 1.3594E-03 1.1050E-03 1.0587E-03 9.1597E-04 6.5841E-04 4.9577E-04 2.7990E-04 1.7946E-04 1.2477E-04 9.1719E-05 7.0252E-05 5.5525E-05 4.4996E-05 3.7201E-05 3.1252E-05 2.6623E-05 2.2966E-05 2.0008E-05 1.7586E-05 1.3897E-05 1.1256E-05 9.3038E-06 7.8167E-06 6.6606E-06 5.7444E-06 5.0033E-06 2.8158E-06 1.8015E-06 1.2511E-06 7.0372E-07 4.5044E-07 2.0018E-07 1.1259E-07 5.0033E-08 2.8158E-08 1.8015E-08 1.2511E-08 7.0372E-09 4.5044E-09 2.0018E-09 1.1259E-09 5.0033E-10 2.8158E-10 1.8015E-10 1.2511E-10 7.0372E-11 4.5044E-11 2.0018E-11 1.1259E-11 5.0033E-12 2.8158E-12 1.8015E-12 1.2511E-12 7.0372E-13 4.5044E-13 INCOHERENT SCATTERING CROSS SECTION 4.0798E-03 3.1822E-03 1.7946E-03 5.5885E-03 5.5885E-03 6.7997E-03 7.4401E-03 7.4401E-03 7.9307E-03 8.4475E-03 8.4475E-03 9.5532E-03 1.4921E-02 1.9905E-02 2.1102E-02 2.1102E-02 2.1663E-02 2.2232E-02 2.2232E-02 2.4465E-02 2.4944E-02 2.4944E-02 2.8638E-02 3.0053E-02 3.0053E-02 3.0803E-02 3.1564E-02 3.1564E-02 3.6049E-02 4.2573E-02 5.5933E-02 6.5407E-02 6.5407E-02 6.5503E-02 7.2770E-02 7.2770E-02 7.3278E-02 7.3778E-02 7.3778E-02 7.7807E-02 8.5267E-02 8.9920E-02 9.2750E-02 9.5100E-02 9.5196E-02 9.2846E-02 9.2846E-02 9.1695E-02 8.7209E-02 8.2678E-02 7.8527E-02 7.4842E-02 7.1571E-02 6.8652E-02 6.6031E-02 6.3660E-02 6.1497E-02 5.9511E-02 5.5988E-02 5.4422E-02 5.2967E-02 5.0340E-02 4.9145E-02 4.8642E-02 4.4084E-02 4.3215E-02 4.1597E-02 4.0127E-02 3.8791E-02 3.6417E-02 3.4322E-02 3.3891E-02 3.2473E-02 2.9464E-02 2.7055E-02 2.2577E-02 1.9505E-02 1.7245E-02 1.5501E-02 1.4110E-02 1.2971E-02 1.2019E-02 1.1211E-02 1.0515E-02 9.9058E-03 9.3709E-03 8.8984E-03 8.4739E-03 7.7447E-03 7.1427E-03 6.6342E-03 6.1977E-03 5.8212E-03 5.4902E-03 5.1999E-03 4.1326E-03 3.4490E-03 2.9717E-03 2.3438E-03 1.9454E-03 1.3854E-03 1.0863E-03 7.6992E-04 6.0298E-04 4.9913E-04 4.2741E-04 3.3387E-04 2.7463E-04 1.9176E-04 1.4842E-04 1.0321E-04 7.9654E-05 6.5119E-05 5.5237E-05 4.2549E-05 3.4730E-05 2.4009E-05 1.8459E-05 1.2731E-05 9.7739E-06 7.9582E-06 6.7278E-06 5.1592E-06 4.1974E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 7.8791E+03 3.9299E+05 2.5562E+04 5.1879E+03 5.5213E+03 4.0487E+03 3.4826E+03 3.5234E+03 3.1538E+03 2.8230E+03 2.8734E+03 2.2978E+03 9.4213E+02 4.8618E+02 4.2118E+02 9.4429E+02 8.9285E+02 8.4427E+02 1.1738E+03 9.1766E+02 8.6922E+02 1.0141E+03 6.7662E+02 5.8164E+02 6.1665E+02 5.7214E+02 5.3079E+02 5.5285E+02 3.6433E+02 2.0867E+02 7.4713E+01 3.6001E+01 8.3012E+01 8.2724E+01 4.4348E+01 6.3728E+01 6.1020E+01 5.8427E+01 6.7350E+01 4.7394E+01 2.2779E+01 1.2755E+01 7.9030E+00 3.6889E+00 2.0361E+00 8.9704E-01 3.5474E+00 2.7919E+00 1.3504E+00 7.7098E-01 4.9169E-01 3.3805E-01 2.4585E-01 1.8676E-01 1.4674E-01 1.1841E-01 9.7667E-02 8.2048E-02 6.0491E-02 5.2863E-02 4.6644E-02 3.7220E-02 3.3603E-02 3.2188E-02 2.1778E-02 2.0212E-02 1.7581E-02 1.5478E-02 1.3773E-02 1.1194E-02 9.3445E-03 9.0064E-03 7.9642E-03 6.0754E-03 4.8594E-03 3.1660E-03 2.3107E-03 1.8051E-03 1.4746E-03 1.2431E-03 1.0726E-03 9.4213E-04 8.3923E-04 7.5625E-04 6.8789E-04 6.3056E-04 5.8211E-04 5.4038E-04 4.7226E-04 4.1950E-04 3.7704E-04 3.4251E-04 3.1348E-04 2.8926E-04 2.6815E-04 1.9694E-04 1.5552E-04 1.2849E-04 9.5292E-05 7.5745E-05 5.0033E-05 3.7369E-05 2.4800E-05 1.8555E-05 1.4823E-05 1.2340E-05 9.2462E-06 7.3922E-06 4.9241E-06 3.6913E-06 2.4585E-06 1.8440E-06 1.4751E-06 1.2290E-06 9.2174E-07 7.3730E-07 4.9145E-07 3.6865E-07 2.4561E-07 1.8428E-07 1.4744E-07 1.2285E-07 9.2150E-08 7.3706E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 4.9241E-04 7.9062E-04 1.5630E-03 2.4896E-03 3.4730E-03 5.3946E-03 7.1883E-03 7.5745E-03 8.8940E-03 1.1925E-02 1.4554E-02 2.0092E-02 2.4705E-02 2.8566E-02 3.2092E-02 3.5282E-02 3.8208E-02 4.0918E-02 4.3437E-02 4.5787E-02 4.7994E-02 5.0057E-02 5.1975E-02 5.3798E-02 5.7084E-02 6.0010E-02 6.2673E-02 6.5119E-02 6.7374E-02 6.9412E-02 7.1307E-02 7.9006E-02 8.4739E-02 8.9200E-02 9.5748E-02 1.0035E-01 1.0760E-01 1.1191E-01 1.1693E-01 1.1980E-01 1.2168E-01 1.2304E-01 1.2482E-01 1.2597E-01 1.2762E-01 1.2856E-01 1.2949E-01 1.3009E-01 1.3043E-01 1.3067E-01 1.3098E-01 1.3117E-01 1.3141E-01 1.3156E-01 1.3170E-01 1.3180E-01 1.3185E-01 1.3189E-01 1.3192E-01 1.3194E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.0589E-08 2.6838E-06 9.4453E-06 3.8472E-05 7.6464E-05 1.1717E-04 1.5756E-04 1.9658E-04 2.3381E-04 2.6911E-04 3.0221E-04 3.3363E-04 3.6289E-04 3.9096E-04 4.1734E-04 4.4228E-04 4.8833E-04 5.3007E-04 5.6796E-04 6.0298E-04 6.3488E-04 6.6462E-04 6.9197E-04 8.0470E-04 8.8912E-04 9.5556E-04 1.0541E-03 1.1251E-03 1.2410E-03 1.3127E-03 1.3993E-03 1.4506E-03 1.4856E-03 1.5111E-03 1.5461E-03 1.5693E-03 1.6036E-03 1.6233E-03 1.6444E-03 1.6571E-03 1.6648E-03 1.6701E-03 1.6773E-03 1.6818E-03 1.6878E-03 1.6917E-03 1.6948E-03 1.6972E-03 1.6984E-03 1.6993E-03 1.7001E-03 1.7008E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Mn.mat0000644000276300001750000001666213136054446020344 0ustar solebliss00000000000000Mn 1 25 1.000000 2 10 88 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 6.5390E-03 6.5390E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 4.2400E+00 3.8550E+01 4.9518E+00 3.9484E+00 3.6459E+00 3.0912E+00 2.6133E+00 2.2132E+00 1.8843E+00 1.7352E+00 1.7352E+00 1.4075E+00 1.0995E+00 6.8785E-01 4.7639E-01 2.6133E-01 1.6475E-01 1.1433E-01 8.4350E-02 5.1454E-02 3.4540E-02 1.6311E-02 9.4523E-03 6.1554E-03 4.3222E-03 3.1994E-03 2.4620E-03 1.9519E-03 1.5851E-03 1.3127E-03 1.1049E-03 9.4273E-04 7.0941E-04 6.2394E-04 5.5303E-04 4.4316E-04 4.0010E-04 3.8311E-04 2.5639E-04 2.3708E-04 2.0446E-04 1.7813E-04 1.5657E-04 1.2374E-04 1.0026E-04 9.5991E-05 8.2878E-05 5.9350E-05 4.4581E-05 2.5080E-05 1.6048E-05 1.1148E-05 8.1906E-06 6.2712E-06 4.9547E-06 4.0131E-06 3.3170E-06 2.7876E-06 2.3754E-06 2.0476E-06 1.7835E-06 1.5675E-06 1.2387E-06 1.0034E-06 8.2925E-07 6.9683E-07 5.9368E-07 5.1191E-07 4.4592E-07 2.5080E-07 1.6059E-07 1.1148E-07 6.2712E-08 4.0131E-08 1.7835E-08 1.0033E-08 4.4592E-09 2.5080E-09 1.6059E-09 1.1148E-09 6.2712E-10 4.0131E-10 1.7835E-10 1.0033E-10 4.4592E-11 2.5080E-11 1.6059E-11 1.1148E-11 6.2712E-12 4.0131E-12 1.7835E-12 1.0033E-12 4.4592E-13 2.5080E-13 1.6059E-13 1.1148E-13 6.2712E-14 4.0131E-14 INCOHERENT SCATTERING CROSS SECTION 9.2363E-03 3.9090E-02 3.9665E-03 1.5905E-02 2.1901E-02 3.2764E-02 4.2794E-02 5.1915E-02 6.0136E-02 6.4203E-02 6.4203E-02 7.4145E-02 8.5227E-02 1.0364E-01 1.1477E-01 1.2672E-01 1.3154E-01 1.3297E-01 1.3297E-01 1.3055E-01 1.2705E-01 1.1751E-01 1.0896E-01 1.0177E-01 9.5728E-02 9.0585E-02 8.6148E-02 8.2271E-02 7.8847E-02 7.5794E-02 7.3049E-02 7.0560E-02 6.6199E-02 6.4268E-02 6.2476E-02 5.9263E-02 5.7823E-02 5.7220E-02 5.1728E-02 5.0693E-02 4.8776E-02 4.7037E-02 4.5447E-02 4.2622E-02 4.0153E-02 3.9648E-02 3.7986E-02 3.4433E-02 3.1592E-02 2.6363E-02 2.2767E-02 2.0126E-02 1.8087E-02 1.6453E-02 1.5127E-02 1.4020E-02 1.3077E-02 1.2266E-02 1.1554E-02 1.0929E-02 1.0375E-02 9.8809E-03 9.0302E-03 8.3276E-03 7.7357E-03 7.2281E-03 6.7875E-03 6.4027E-03 6.0629E-03 4.8177E-03 4.0218E-03 3.4650E-03 2.7327E-03 2.2680E-03 1.6147E-03 1.2661E-03 8.9765E-04 7.0297E-04 5.8196E-04 4.9821E-04 3.8914E-04 3.2019E-04 2.2362E-04 1.7309E-04 1.2036E-04 9.2878E-05 7.5932E-05 6.4389E-05 4.9613E-05 4.0503E-05 2.7996E-05 2.1518E-05 1.4842E-05 1.1389E-05 9.2791E-06 7.8431E-06 6.0147E-06 4.8933E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 8.0886E+03 2.3496E+06 4.4602E+04 2.9794E+03 1.4173E+03 4.8199E+02 2.2022E+02 1.1893E+02 7.1558E+01 5.6233E+01 4.5020E+02 2.7196E+02 1.5018E+02 4.9481E+01 2.1934E+01 6.7535E+00 2.8731E+00 1.4667E+00 8.4241E-01 3.4858E-01 1.7506E-01 5.0018E-02 2.0707E-02 1.0564E-02 6.1670E-03 3.9557E-03 2.7196E-03 1.9720E-03 1.4919E-03 1.1679E-03 9.3854E-04 7.7020E-04 5.5001E-04 4.7782E-04 4.2163E-04 3.3443E-04 2.9728E-04 2.8204E-04 1.9073E-04 1.7788E-04 1.5566E-04 1.3757E-04 1.2290E-04 1.0077E-04 8.4931E-05 8.2037E-05 7.3098E-05 5.6779E-05 4.6160E-05 3.1120E-05 2.3316E-05 1.8580E-05 1.5412E-05 1.3154E-05 1.1466E-05 1.0160E-05 9.1179E-06 8.2673E-06 7.5614E-06 6.9651E-06 6.4553E-06 6.0158E-06 5.2923E-06 4.7245E-06 4.2663E-06 3.8881E-06 3.5724E-06 3.3028E-06 3.0715E-06 2.2745E-06 1.8065E-06 1.4974E-06 1.1159E-06 8.8910E-07 5.8974E-07 4.4110E-07 2.9333E-07 2.1967E-07 1.7561E-07 1.4623E-07 1.0962E-07 8.7672E-08 5.8415E-08 4.3803E-08 2.9191E-08 2.1890E-08 1.7517E-08 1.4590E-08 1.0944E-08 8.7540E-09 5.8360E-09 4.3770E-09 2.9180E-09 2.1880E-09 1.7506E-09 1.4590E-09 1.0942E-09 8.7529E-10 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 6.5189E-05 1.0347E-04 2.0427E-04 3.3356E-04 4.8756E-04 8.5520E-04 1.2781E-03 1.3757E-03 1.7278E-03 2.6441E-03 3.5461E-03 5.6705E-03 7.5493E-03 9.2232E-03 1.0711E-02 1.2047E-02 1.3264E-02 1.4360E-02 1.5357E-02 1.6267E-02 1.7111E-02 1.7900E-02 1.8624E-02 1.9314E-02 2.0575E-02 2.1704E-02 2.2713E-02 2.3644E-02 2.4488E-02 2.5267E-02 2.5990E-02 2.8917E-02 3.1120E-02 3.2830E-02 3.5384E-02 3.7215E-02 4.0164E-02 4.1950E-02 4.4044E-02 4.5261E-02 4.6061E-02 4.6631E-02 4.7398E-02 4.7903E-02 4.8626E-02 4.9021E-02 4.9448E-02 4.9678E-02 4.9821E-02 4.9920E-02 5.0051E-02 5.0139E-02 5.0248E-02 5.0314E-02 5.0380E-02 5.0413E-02 5.0435E-02 5.0446E-02 5.0468E-02 5.0479E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.0585E-07 3.1397E-06 1.1060E-05 4.5140E-05 8.9919E-05 1.3801E-04 1.8602E-04 2.3261E-04 2.7722E-04 3.1964E-04 3.5987E-04 3.9780E-04 4.3364E-04 4.6774E-04 5.0018E-04 5.3098E-04 5.8809E-04 6.4027E-04 6.8817E-04 7.3235E-04 7.7313E-04 8.1116E-04 8.4657E-04 9.9433E-04 1.1082E-03 1.1981E-03 1.3362E-03 1.4382E-03 1.6092E-03 1.7188E-03 1.8536E-03 1.9358E-03 1.9928E-03 2.0345E-03 2.0937E-03 2.1320E-03 2.1912E-03 2.2252E-03 2.2614E-03 2.2833E-03 2.2965E-03 2.3063E-03 2.3184E-03 2.3272E-03 2.3381E-03 2.3447E-03 2.3502E-03 2.3546E-03 2.3568E-03 2.3579E-03 2.3601E-03 2.3611E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Ga.mat0000644000276300001750000002005013136054446020303 0ustar solebliss00000000000000Ga 1 31 1.000000 5 4 3 3 10 86 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.1154E-03 1.1154E-03 1.1288E-03 1.1423E-03 1.1423E-03 1.2175E-03 1.2977E-03 1.2977E-03 1.5000E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.0367E-02 1.0367E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 5.2229E+00 3.0693E+03 6.6478E+00 5.1590E+00 5.1590E+00 5.1513E+00 5.1435E+00 5.1435E+00 5.1029E+00 5.0597E+00 5.0597E+00 4.9362E+00 4.6313E+00 4.0448E+00 3.5214E+00 3.0593E+00 2.6568E+00 2.0202E+00 1.5728E+00 1.5081E+00 1.5081E+00 9.5010E-01 6.5202E-01 3.6527E-01 2.3096E-01 1.5944E-01 1.1721E-01 7.1585E-02 4.8334E-02 2.3027E-02 1.3388E-02 8.7374E-03 6.1454E-03 4.5546E-03 3.5093E-03 2.7860E-03 2.2647E-03 1.8764E-03 1.5797E-03 1.3482E-03 1.0151E-03 8.9309E-04 7.9183E-04 6.3476E-04 5.7308E-04 5.4872E-04 3.6734E-04 3.3971E-04 2.9301E-04 2.5532E-04 2.2447E-04 1.7744E-04 1.4372E-04 1.3759E-04 1.1876E-04 8.5063E-05 6.3924E-05 3.5965E-05 2.3018E-05 1.5988E-05 1.1747E-05 8.9914E-06 7.1067E-06 5.7559E-06 4.7574E-06 3.9973E-06 3.4057E-06 2.9367E-06 2.5583E-06 2.2483E-06 1.7767E-06 1.4390E-06 1.1893E-06 9.9933E-07 8.5154E-07 7.3425E-07 6.3959E-07 3.5974E-07 2.3027E-07 1.5988E-07 8.9914E-08 5.7559E-08 2.5583E-08 1.4390E-08 6.3950E-09 3.5974E-09 2.3027E-09 1.5988E-09 8.9914E-10 5.7559E-10 2.5583E-10 1.4390E-10 6.3950E-11 3.5974E-11 2.3027E-11 1.5988E-11 8.9914E-12 5.7559E-12 2.5583E-12 1.4390E-12 6.3950E-13 3.5974E-13 2.3027E-13 1.5988E-13 8.9914E-14 5.7559E-14 INCOHERENT SCATTERING CROSS SECTION 6.4762E-03 8.4848E+02 3.3131E-03 7.6776E-03 7.6776E-03 7.8183E-03 7.9609E-03 7.9609E-03 8.7621E-03 9.6219E-03 9.6219E-03 1.1764E-02 1.6869E-02 2.6024E-02 3.4298E-02 4.2020E-02 4.9198E-02 6.1903E-02 7.2656E-02 7.4427E-02 7.4427E-02 9.2418E-02 1.0468E-01 1.1807E-01 1.2412E-01 1.2654E-01 1.2697E-01 1.2541E-01 1.2239E-01 1.1375E-01 1.0572E-01 9.8942E-02 9.3196E-02 8.8249E-02 8.3963E-02 8.0218E-02 7.6906E-02 7.3944E-02 7.1274E-02 6.8853E-02 6.4614E-02 6.2741E-02 6.1005E-02 5.7878E-02 5.6462E-02 5.5866E-02 5.0528E-02 4.9523E-02 4.7652E-02 4.5941E-02 4.4369E-02 4.1585E-02 3.9213E-02 3.8738E-02 3.7152E-02 3.3671E-02 3.0861E-02 2.5748E-02 2.2241E-02 1.9658E-02 1.7672E-02 1.6083E-02 1.4778E-02 1.3699E-02 1.2774E-02 1.1980E-02 1.1289E-02 1.0676E-02 1.0140E-02 9.6564E-03 8.8273E-03 8.1363E-03 7.5576E-03 7.0618E-03 6.6317E-03 6.2559E-03 5.9234E-03 4.7073E-03 3.9291E-03 3.3858E-03 2.6698E-03 2.2163E-03 1.5780E-03 1.2377E-03 8.7668E-04 6.8683E-04 5.6859E-04 4.8679E-04 3.8021E-04 3.1275E-04 2.1844E-04 1.6903E-04 1.1755E-04 9.0777E-05 7.4194E-05 6.2914E-05 4.8472E-05 3.9576E-05 2.7354E-05 2.1023E-05 1.4502E-05 1.1133E-05 9.0691E-06 7.6638E-06 5.8759E-06 4.7807E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 1.6920E+03 3.9238E+05 8.7184E+03 1.3068E+03 3.8142E+03 4.6409E+03 5.6427E+03 7.3382E+03 6.8269E+03 6.3535E+03 7.2000E+03 5.0821E+03 2.5108E+03 8.8186E+02 4.0940E+02 2.2345E+02 1.3552E+02 6.0944E+01 3.2554E+01 2.9418E+01 2.1982E+02 8.4325E+01 3.8522E+01 1.2325E+01 5.3706E+00 2.7898E+00 1.6238E+00 6.8528E-01 3.4903E-01 1.0192E-01 4.2806E-02 2.2050E-02 1.2964E-02 8.3628E-03 5.7749E-03 4.2013E-03 3.1863E-03 2.4989E-03 2.0116E-03 1.6537E-03 1.1834E-03 1.0278E-03 9.0605E-04 7.1827E-04 6.3976E-04 6.0780E-04 4.1079E-04 3.8283E-04 3.3475E-04 2.9574E-04 2.6409E-04 2.1622E-04 1.8181E-04 1.7551E-04 1.5610E-04 1.2091E-04 9.8119E-05 6.5850E-05 4.9163E-05 3.9075E-05 3.2355E-05 2.7579E-05 2.4012E-05 2.1248E-05 1.9054E-05 1.7266E-05 1.5780E-05 1.4528E-05 1.3457E-05 1.2533E-05 1.1021E-05 9.8292E-06 8.8704E-06 8.0853E-06 7.4246E-06 6.8640E-06 6.3812E-06 4.7211E-06 3.7460E-06 3.1042E-06 2.3122E-06 1.8423E-06 1.2213E-06 9.1296E-07 6.0720E-07 4.5475E-07 3.6345E-07 3.0273E-07 2.2690E-07 1.8147E-07 1.2092E-07 9.0605E-08 6.0409E-08 4.5302E-08 3.6233E-08 3.0196E-08 2.2647E-08 1.8112E-08 1.2075E-08 9.0605E-09 6.0374E-09 4.5285E-09 3.6225E-09 3.0187E-09 2.2638E-09 1.8112E-09 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 8.5811E-05 1.3528E-04 2.6396E-04 4.2702E-04 6.1956E-04 1.0743E-03 1.5893E-03 1.7067E-03 2.1313E-03 3.2465E-03 4.3497E-03 6.9046E-03 9.1555E-03 1.1142E-02 1.2921E-02 1.4511E-02 1.5962E-02 1.7266E-02 1.8458E-02 1.9546E-02 2.0548E-02 2.1481E-02 2.2353E-02 2.3174E-02 2.4685E-02 2.6024E-02 2.7242E-02 2.8347E-02 2.9349E-02 3.0282E-02 3.1129E-02 3.4618E-02 3.7218E-02 3.9256E-02 4.2271E-02 4.4421E-02 4.7842E-02 4.9880E-02 5.2255E-02 5.3629E-02 5.4527E-02 5.5166E-02 5.6021E-02 5.6574E-02 5.7377E-02 5.7809E-02 5.8284E-02 5.8535E-02 5.8699E-02 5.8811E-02 5.8949E-02 5.9044E-02 5.9165E-02 5.9234E-02 5.9312E-02 5.9346E-02 5.9372E-02 5.9390E-02 5.9407E-02 5.9416E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.0347E-07 3.0681E-06 1.0805E-05 4.4084E-05 8.7841E-05 1.3483E-04 1.8164E-04 2.2707E-04 2.7052E-04 3.1189E-04 3.5102E-04 3.8798E-04 4.2288E-04 4.5613E-04 4.8757E-04 5.1746E-04 5.7308E-04 6.2369E-04 6.7016E-04 7.1292E-04 7.5248E-04 7.8918E-04 8.2347E-04 9.6564E-04 1.0745E-03 1.1617E-03 1.2930E-03 1.3889E-03 1.5487E-03 1.6488E-03 1.7724E-03 1.8466E-03 1.8976E-03 1.9356E-03 1.9874E-03 2.0220E-03 2.0729E-03 2.1023E-03 2.1343E-03 2.1533E-03 2.1645E-03 2.1723E-03 2.1835E-03 2.1904E-03 2.1990E-03 2.2051E-03 2.2103E-03 2.2137E-03 2.2154E-03 2.2163E-03 2.2180E-03 2.2189E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/B.mat0000644000276300001750000001642013136054446020143 0ustar solebliss00000000000000B 1 5 1.000000 1 96 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 8.0548E-01 1.0114E+02 1.1156E+00 6.9518E-01 5.8712E-01 4.2045E-01 3.1662E-01 2.5200E-01 2.0939E-01 1.5625E-01 1.2277E-01 7.3418E-02 4.7705E-02 2.4382E-02 1.4700E-02 9.7927E-03 6.9741E-03 4.0313E-03 2.6159E-03 1.1798E-03 6.6677E-04 4.2783E-04 2.9757E-04 2.1881E-04 1.6761E-04 1.3248E-04 1.0734E-04 8.8742E-05 7.4587E-05 6.3561E-05 4.7740E-05 4.1956E-05 3.7163E-05 2.9752E-05 2.6855E-05 2.5713E-05 1.7190E-05 1.5892E-05 1.3701E-05 1.1937E-05 1.0498E-05 8.3019E-06 6.7179E-06 6.4282E-06 5.5422E-06 3.9688E-06 2.9846E-06 1.6789E-06 1.0745E-06 7.4643E-07 5.4824E-07 4.1973E-07 3.3166E-07 2.6866E-07 2.2204E-07 1.8655E-07 1.5898E-07 1.3709E-07 1.1937E-07 1.0495E-07 8.2887E-08 6.7179E-08 5.5503E-08 4.6635E-08 3.9739E-08 3.4263E-08 2.9846E-08 1.6789E-08 1.0745E-08 7.4643E-09 4.1967E-09 2.6855E-09 1.1937E-09 6.7123E-10 2.9841E-10 1.6784E-10 1.0745E-10 7.4587E-11 4.1962E-11 2.6855E-11 1.1937E-11 6.7123E-12 2.9841E-12 1.6784E-12 1.0745E-12 7.4587E-13 4.1962E-13 2.6855E-13 1.1937E-13 6.7123E-14 2.9841E-14 1.6784E-14 1.0745E-14 7.4587E-15 4.1962E-15 2.6855E-15 INCOHERENT SCATTERING CROSS SECTION 1.6115E-02 2.4813E-02 5.7332E-03 3.0843E-02 4.5683E-02 7.0410E-02 8.7344E-02 9.8763E-02 1.0717E-01 1.1954E-01 1.2879E-01 1.4377E-01 1.5118E-01 1.5541E-01 1.5452E-01 1.5190E-01 1.4878E-01 1.4221E-01 1.3603E-01 1.2305E-01 1.1291E-01 1.0487E-01 9.8317E-02 9.2850E-02 8.8179E-02 8.4118E-02 8.0548E-02 7.7378E-02 7.4532E-02 7.1951E-02 6.7438E-02 6.5452E-02 6.3617E-02 6.0342E-02 5.8879E-02 5.8266E-02 5.2640E-02 5.1580E-02 4.9621E-02 4.7844E-02 4.6217E-02 4.3330E-02 4.0831E-02 4.0324E-02 3.8646E-02 3.5029E-02 3.2124E-02 2.6794E-02 2.3139E-02 2.0454E-02 1.8382E-02 1.6728E-02 1.5380E-02 1.4249E-02 1.3291E-02 1.2461E-02 1.1742E-02 1.1107E-02 1.0545E-02 1.0043E-02 9.1800E-03 8.4614E-03 7.8598E-03 7.3473E-03 6.8961E-03 6.5062E-03 6.1608E-03 4.8964E-03 4.0870E-03 3.5216E-03 2.7774E-03 2.3050E-03 1.6416E-03 1.2873E-03 9.1243E-04 7.1468E-04 5.9157E-04 5.0640E-04 3.9550E-04 3.2537E-04 2.2722E-04 1.7586E-04 1.2227E-04 9.4418E-05 7.7150E-05 6.5452E-05 5.0418E-05 4.1165E-05 2.8448E-05 2.1875E-05 1.5085E-05 1.1581E-05 9.4307E-06 7.9712E-06 6.1107E-06 4.9727E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 1.2277E+03 3.8578E+06 9.5159E+03 3.7594E+02 1.5909E+02 4.6184E+01 1.8861E+01 9.3304E+00 5.2222E+00 2.0705E+00 1.0032E+00 2.6548E-01 1.0249E-01 2.6560E-02 1.0138E-02 4.7939E-03 2.5986E-03 9.8874E-04 4.6969E-04 1.2238E-04 4.7939E-05 2.3559E-05 1.3391E-05 8.4211E-06 5.6985E-06 4.0791E-06 3.0620E-06 2.3882E-06 1.9034E-06 1.5373E-06 1.0839E-06 9.5922E-07 8.7602E-07 7.0807E-07 5.9659E-07 5.4545E-07 3.7060E-07 3.4982E-07 3.0675E-07 2.6933E-07 2.4048E-07 1.9948E-07 1.7023E-07 1.6472E-07 1.4764E-07 1.1635E-07 9.5755E-08 6.5953E-08 5.0172E-08 4.0419E-08 3.3812E-08 2.9050E-08 2.5457E-08 2.2655E-08 2.0399E-08 1.8555E-08 1.7012E-08 1.5708E-08 1.4589E-08 1.3620E-08 1.2015E-08 1.0751E-08 9.7259E-09 8.8848E-09 8.1717E-09 7.5646E-09 7.0410E-09 5.2362E-09 4.1666E-09 3.4598E-09 2.5835E-09 2.0610E-09 1.3692E-09 1.0249E-09 6.8181E-10 5.1108E-10 4.0864E-10 3.4041E-10 2.5523E-10 2.0410E-10 1.3603E-10 1.0199E-10 6.8014E-11 5.0986E-11 4.0786E-11 3.3990E-11 2.5490E-11 2.0393E-11 1.3592E-11 1.0194E-11 6.7959E-12 5.0975E-12 4.0781E-12 3.3985E-12 2.5484E-12 2.0388E-12 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.1035E-05 1.7925E-05 3.6710E-05 6.1497E-05 9.1381E-05 1.6299E-04 2.4554E-04 2.6470E-04 3.3436E-04 5.1879E-04 7.0354E-04 1.1430E-03 1.5341E-03 1.8867E-03 2.2003E-03 2.4838E-03 2.7412E-03 2.9751E-03 3.1879E-03 3.3834E-03 3.5656E-03 3.7355E-03 3.8943E-03 4.0435E-03 4.3176E-03 4.5638E-03 4.7872E-03 4.9905E-03 5.1777E-03 5.3498E-03 5.5102E-03 6.1664E-03 6.6622E-03 7.0577E-03 7.6481E-03 8.0826E-03 8.8123E-03 9.2747E-03 9.8373E-03 1.0177E-02 1.0405E-02 1.0573E-02 1.0801E-02 1.0946E-02 1.1169E-02 1.1291E-02 1.1419E-02 1.1492E-02 1.1542E-02 1.1570E-02 1.1614E-02 1.1642E-02 1.1676E-02 1.1698E-02 1.1720E-02 1.1731E-02 1.1737E-02 1.1742E-02 1.1748E-02 1.1753E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.0742E-07 3.1880E-06 1.1235E-05 4.5883E-05 9.1410E-05 1.4043E-04 1.8934E-04 2.3685E-04 2.8236E-04 3.2581E-04 3.6698E-04 4.0597E-04 4.4279E-04 4.7799E-04 5.1136E-04 5.4322E-04 6.0272E-04 6.5675E-04 7.0688E-04 7.5367E-04 7.9656E-04 8.3667E-04 8.7455E-04 1.0333E-03 1.1575E-03 1.2583E-03 1.4154E-03 1.5341E-03 1.7402E-03 1.8778E-03 2.0555E-03 2.1685E-03 2.2476E-03 2.3073E-03 2.3919E-03 2.4493E-03 2.5362E-03 2.5869E-03 2.6426E-03 2.6755E-03 2.6955E-03 2.7100E-03 2.7295E-03 2.7417E-03 2.7585E-03 2.7685E-03 2.7779E-03 2.7841E-03 2.7874E-03 2.7896E-03 2.7924E-03 2.7941E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Xe.mat0000644000276300001750000002016613136054446020340 0ustar solebliss00000000000000Xenon 1 54 1.000000 6 4 6 3 3 8 83 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.1490E-03 1.1490E-03 1.5000E-03 2.0000E-03 3.0000E-03 4.0000E-03 4.7822E-03 4.7822E-03 5.0000E-03 5.1037E-03 5.1037E-03 5.2754E-03 5.4528E-03 5.4528E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 3.4561E-02 3.4561E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 2.5000E-01 3.0000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 8.4582E+00 1.0786E+02 9.7206E+00 8.3252E+00 8.3252E+00 7.9995E+00 7.4812E+00 6.4813E+00 5.6373E+00 5.0869E+00 5.0869E+00 4.9447E+00 4.8805E+00 4.8805E+00 4.7754E+00 4.6695E+00 4.6695E+00 4.3681E+00 3.4645E+00 2.8145E+00 1.8522E+00 1.3224E+00 7.5454E-01 6.1189E-01 6.1189E-01 4.9126E-01 3.4920E-01 2.6099E-01 1.6077E-01 1.0889E-01 5.2979E-02 3.1356E-02 2.0677E-02 2.0677E-02 1.4641E-02 8.4353E-03 6.7150E-03 5.4722E-03 4.5463E-03 3.8369E-03 3.2807E-03 2.4767E-03 2.1811E-03 1.9354E-03 1.5539E-03 1.4040E-03 1.3449E-03 9.0224E-04 8.3464E-04 7.2035E-04 6.2795E-04 5.5218E-04 4.3661E-04 3.5397E-04 3.3897E-04 2.9280E-04 2.0978E-04 1.5761E-04 8.8711E-05 5.6786E-05 3.9443E-05 2.8980E-05 2.2191E-05 1.7536E-05 1.4201E-05 1.1738E-05 9.8618E-06 8.4032E-06 7.2473E-06 6.3116E-06 5.5501E-06 4.3842E-06 3.5512E-06 2.9347E-06 2.4659E-06 2.1013E-06 1.8118E-06 1.5784E-06 8.8802E-07 5.6832E-07 3.9456E-07 2.2196E-07 1.4206E-07 6.3116E-08 3.5507E-08 1.5784E-08 8.8756E-09 5.6832E-09 3.9456E-09 2.2191E-09 1.4206E-09 6.3116E-10 3.5507E-10 1.5784E-10 8.8756E-11 5.6832E-11 3.9456E-11 2.2191E-11 1.4206E-11 6.3116E-12 3.5507E-12 1.5784E-12 8.8756E-13 5.6832E-13 3.9456E-13 2.2191E-13 1.4206E-13 INCOHERENT SCATTERING CROSS SECTION 4.4167E-03 2.2491E-01 1.6853E-03 5.5823E-03 5.5823E-03 8.5225E-03 1.2848E-02 2.1228E-02 2.8737E-02 3.3833E-02 3.3833E-02 3.5154E-02 3.5769E-02 3.5769E-02 3.6765E-02 3.7769E-02 3.7769E-02 4.0713E-02 5.0272E-02 5.8483E-02 7.4399E-02 8.4858E-02 9.7288E-02 1.0077E-01 1.0077E-01 1.0385E-01 1.0733E-01 1.0908E-01 1.0963E-01 1.0811E-01 1.0192E-01 9.5545E-02 8.9885E-02 8.9885E-02 8.4949E-02 7.6876E-02 7.3575E-02 7.0638E-02 6.7993E-02 6.5593E-02 6.3401E-02 5.9545E-02 5.7841E-02 5.6262E-02 5.3410E-02 5.2107E-02 5.1557E-02 4.6649E-02 4.5725E-02 4.4007E-02 4.2438E-02 4.0999E-02 3.8447E-02 3.6246E-02 3.5801E-02 3.4324E-02 3.1120E-02 2.8540E-02 2.3811E-02 2.0568E-02 1.8182E-02 1.6343E-02 1.4875E-02 1.3674E-02 1.2669E-02 1.1816E-02 1.1082E-02 1.0440E-02 9.8756E-03 9.3756E-03 8.9307E-03 8.1601E-03 7.5271E-03 6.9904E-03 6.5317E-03 6.1327E-03 5.7887E-03 5.4813E-03 4.3543E-03 3.6347E-03 3.1319E-03 2.4700E-03 2.0499E-03 1.4600E-03 1.1444E-03 8.1142E-04 6.3529E-04 5.2612E-04 4.5034E-04 3.5172E-04 2.8934E-04 2.0210E-04 1.5641E-04 1.0876E-04 8.3940E-05 6.8620E-05 5.8208E-05 4.4842E-05 3.6608E-05 2.5301E-05 1.9453E-05 1.3417E-05 1.0298E-05 8.3848E-06 7.0913E-06 5.4355E-06 4.4227E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 9.4031E+03 1.1643E+06 4.0117E+04 7.0317E+03 7.3344E+03 4.0768E+03 2.0802E+03 7.7152E+02 3.7301E+02 2.3572E+02 6.8895E+02 6.3437E+02 5.9951E+02 8.1326E+02 7.5146E+02 6.9446E+02 8.0179E+02 6.3299E+02 2.9975E+02 1.6618E+02 5.5501E+01 2.5104E+01 8.0775E+00 5.4171E+00 3.2443E+01 2.2109E+01 1.2270E+01 7.4537E+00 3.3627E+00 1.7935E+00 5.6511E-01 2.4902E-01 1.3274E-01 1.3274E-01 8.0087E-02 3.6989E-02 2.7256E-02 2.0884E-02 1.6514E-02 1.3385E-02 1.1067E-02 7.9796E-03 6.9400E-03 6.1174E-03 4.8533E-03 4.3351E-03 4.1259E-03 2.7824E-03 2.5891E-03 2.2586E-03 1.9912E-03 1.7739E-03 1.4457E-03 1.2114E-03 1.1687E-03 1.0371E-03 7.9727E-04 6.4217E-04 4.2502E-04 3.1416E-04 2.4783E-04 2.0403E-04 1.7306E-04 1.5013E-04 1.3242E-04 1.1843E-04 1.0706E-04 9.7655E-05 8.9720E-05 8.3023E-05 7.7197E-05 6.7703E-05 6.0318E-05 5.4355E-05 4.9447E-05 4.5351E-05 4.1883E-05 3.8906E-05 2.8696E-05 2.2723E-05 1.8806E-05 1.3985E-05 1.1132E-05 7.3711E-06 5.5089E-06 3.6590E-06 2.7393E-06 2.1893E-06 1.8228E-06 1.3660E-06 1.0921E-06 7.2748E-07 5.4538E-07 3.6356E-07 2.7265E-07 2.1811E-07 1.8173E-07 1.3628E-07 1.0903E-07 7.2656E-08 5.4492E-08 3.6333E-08 2.7251E-08 2.1802E-08 1.8169E-08 1.3623E-08 1.0898E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 1.9141E-04 2.9692E-04 5.6242E-04 8.8527E-04 1.2518E-03 2.0757E-03 2.9714E-03 3.1732E-03 3.8919E-03 5.7138E-03 7.4583E-03 1.1408E-02 1.4811E-02 1.7742E-02 2.0347E-02 2.2691E-02 2.4820E-02 2.6769E-02 2.8567E-02 3.0228E-02 3.1783E-02 3.3209E-02 3.4535E-02 3.5759E-02 3.7993E-02 3.9993E-02 4.1810E-02 4.3461E-02 4.4965E-02 4.6328E-02 4.7612E-02 5.2749E-02 5.6602E-02 5.9584E-02 6.3987E-02 6.7106E-02 7.2060E-02 7.5042E-02 7.8528E-02 8.0500E-02 8.1830E-02 8.2748E-02 8.3986E-02 8.4812E-02 8.6004E-02 8.6646E-02 8.7335E-02 8.7701E-02 8.7931E-02 8.8114E-02 8.8298E-02 8.8435E-02 8.8619E-02 8.8711E-02 8.8848E-02 8.8894E-02 8.8940E-02 8.8940E-02 8.8986E-02 8.8986E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 9.5596E-08 2.8342E-06 9.9811E-06 4.0704E-05 8.1005E-05 1.2430E-04 1.6738E-04 2.0907E-04 2.4893E-04 2.8677E-04 3.2260E-04 3.5631E-04 3.8810E-04 4.1833E-04 4.4690E-04 4.7383E-04 5.2428E-04 5.7015E-04 6.1189E-04 6.5042E-04 6.8574E-04 7.1831E-04 7.4904E-04 8.7518E-04 9.7105E-04 1.0467E-03 1.1609E-03 1.2440E-03 1.3811E-03 1.4673E-03 1.5724E-03 1.6357E-03 1.6788E-03 1.7105E-03 1.7540E-03 1.7829E-03 1.8256E-03 1.8499E-03 1.8765E-03 1.8916E-03 1.9013E-03 1.9077E-03 1.9169E-03 1.9224E-03 1.9297E-03 1.9343E-03 1.9384E-03 1.9412E-03 1.9426E-03 1.9439E-03 1.9448E-03 1.9458E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Gd.mat0000644000276300001750000002174213136054446020317 0ustar solebliss00000000000000Gd 1 64 1.000000 10 4 3 3 3 3 7 3 3 8 81 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.1852E-03 1.1852E-03 1.2011E-03 1.2172E-03 1.2172E-03 1.5000E-03 1.5440E-03 1.5440E-03 1.6145E-03 1.6883E-03 1.6883E-03 1.7820E-03 1.8808E-03 1.8808E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 7.2428E-03 7.2428E-03 7.5788E-03 7.9303E-03 7.9303E-03 8.0000E-03 8.3756E-03 8.3756E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 5.0239E-02 5.0239E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 9.8767E+00 9.0168E+02 1.1901E+01 9.6929E+00 9.6929E+00 9.6757E+00 9.6584E+00 9.6584E+00 9.3750E+00 9.3290E+00 9.3290E+00 9.2537E+00 9.1759E+00 9.1759E+00 9.0811E+00 8.9805E+00 8.9805E+00 8.8542E+00 7.8470E+00 6.9202E+00 6.1083E+00 5.4190E+00 4.7028E+00 4.7028E+00 4.5283E+00 4.3620E+00 4.3620E+00 4.3313E+00 4.1628E+00 4.1628E+00 3.5294E+00 2.2905E+00 1.6379E+00 9.6392E-01 6.2806E-01 4.4501E-01 4.4194E-01 4.4194E-01 3.3448E-01 2.0902E-01 1.4239E-01 6.9393E-02 4.1284E-02 2.7365E-02 1.9451E-02 1.4526E-02 1.1255E-02 8.9740E-03 7.3223E-03 6.0892E-03 5.1432E-03 4.4010E-03 3.3268E-03 2.9312E-03 2.6021E-03 2.0907E-03 1.8899E-03 1.8107E-03 1.2163E-03 1.1253E-03 9.7149E-04 8.4712E-04 7.4517E-04 5.8954E-04 4.7794E-04 4.5764E-04 3.9524E-04 2.8332E-04 2.1301E-04 1.1994E-04 7.6785E-05 5.3347E-05 3.9177E-05 3.0009E-05 2.3713E-05 1.9210E-05 1.5874E-05 1.3339E-05 1.1366E-05 9.8001E-06 8.5363E-06 7.5061E-06 5.9283E-06 4.8024E-06 3.9675E-06 3.3352E-06 2.8420E-06 2.4506E-06 2.1347E-06 1.2006E-06 7.6861E-07 5.3385E-07 3.0021E-07 1.9213E-07 8.5401E-08 4.8024E-08 2.1347E-08 1.2006E-08 7.6861E-09 5.3347E-09 3.0017E-09 1.9210E-09 8.5401E-10 4.8024E-10 2.1347E-10 1.2006E-10 7.6861E-11 5.3347E-11 3.0017E-11 1.9210E-11 8.5401E-12 4.8024E-12 2.1347E-12 1.2006E-12 7.6861E-13 5.3347E-13 3.0017E-13 1.9210E-13 INCOHERENT SCATTERING CROSS SECTION 5.6258E-03 2.3632E+00 2.8787E-03 7.0198E-03 7.0198E-03 7.1381E-03 7.2572E-03 7.2572E-03 9.2793E-03 9.5971E-03 9.5971E-03 1.0103E-02 1.0623E-02 1.0623E-02 1.1273E-02 1.1956E-02 1.1956E-02 1.2791E-02 1.9608E-02 2.5965E-02 3.1801E-02 3.7056E-02 4.2816E-02 4.2816E-02 4.4288E-02 4.5726E-02 4.5726E-02 4.5994E-02 4.7488E-02 4.7488E-02 5.3462E-02 6.8244E-02 7.9082E-02 9.2333E-02 9.9303E-02 1.0309E-01 1.0317E-01 1.0317E-01 1.0509E-01 1.0612E-01 1.0512E-01 9.9648E-02 9.3673E-02 8.8264E-02 8.3525E-02 7.9386E-02 7.5751E-02 7.2534E-02 6.9661E-02 6.7075E-02 6.4721E-02 6.2565E-02 5.8787E-02 5.7138E-02 5.5625E-02 5.2839E-02 5.1509E-02 5.0934E-02 4.6109E-02 4.5211E-02 4.3523E-02 4.1973E-02 4.0550E-02 3.8027E-02 3.5849E-02 3.5409E-02 3.3948E-02 3.0781E-02 2.8232E-02 2.3560E-02 2.0351E-02 1.7988E-02 1.6169E-02 1.4717E-02 1.3530E-02 1.2534E-02 1.1692E-02 1.0964E-02 1.0329E-02 9.7733E-03 9.2793E-03 8.8350E-03 8.0767E-03 7.4487E-03 6.9164E-03 6.4645E-03 6.0700E-03 5.7253E-03 5.4228E-03 4.3084E-03 3.5968E-03 3.0990E-03 2.4441E-03 2.0286E-03 1.4445E-03 1.1328E-03 8.0270E-04 6.2883E-04 5.2045E-04 4.4577E-04 3.4804E-04 2.8634E-04 1.9995E-04 1.5476E-04 1.0761E-04 8.3065E-05 6.7900E-05 5.7598E-05 4.4386E-05 3.6229E-05 2.5034E-05 1.9248E-05 1.3274E-05 1.0191E-05 8.2989E-06 7.0159E-06 5.3807E-06 4.3773E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 2.2813E+03 1.7055E+05 8.3599E+03 1.6594E+03 1.8340E+03 2.7082E+03 3.9867E+03 4.8062E+03 5.0322E+03 4.6913E+03 5.4228E+03 4.8909E+03 4.4118E+03 4.6837E+03 4.1535E+03 3.6826E+03 3.8450E+03 3.3510E+03 1.2841E+03 6.3113E+02 3.5918E+02 2.2507E+02 1.3810E+02 3.7963E+02 3.3775E+02 3.0051E+02 4.1016E+02 4.0250E+02 3.5892E+02 4.1475E+02 2.6570E+02 9.0993E+01 4.1896E+01 1.3783E+01 6.1926E+00 3.3115E+00 3.2671E+00 1.8091E+01 1.1313E+01 5.2581E+00 2.8619E+00 9.3099E-01 4.1858E-01 2.2630E-01 1.3802E-01 9.1636E-02 6.4759E-02 4.8001E-02 3.6945E-02 2.9313E-02 2.3843E-02 1.9798E-02 1.4341E-02 1.2454E-02 1.0936E-02 8.6650E-03 7.8010E-03 7.4640E-03 5.0322E-03 4.6738E-03 4.0743E-03 3.5941E-03 3.2022E-03 2.6064E-03 2.1806E-03 2.1032E-03 1.8645E-03 1.4299E-03 1.1493E-03 7.5751E-04 5.5798E-04 4.3888E-04 3.6064E-04 3.0542E-04 2.6455E-04 2.3311E-04 2.0826E-04 1.8811E-04 1.7145E-04 1.5748E-04 1.4557E-04 1.3534E-04 1.1860E-04 1.0555E-04 9.5052E-05 8.6435E-05 7.9236E-05 7.3146E-05 6.7938E-05 5.0054E-05 3.9599E-05 3.2767E-05 2.4349E-05 1.9374E-05 1.2818E-05 9.5780E-06 6.3611E-06 4.7641E-06 3.8055E-06 3.1687E-06 2.3744E-06 1.8984E-06 1.2646E-06 9.4822E-07 6.3189E-07 4.7373E-07 3.7898E-07 3.1579E-07 2.3683E-07 1.8945E-07 1.2630E-07 9.4707E-08 6.3151E-08 4.7373E-08 3.7883E-08 3.1572E-08 2.3679E-08 1.8941E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 2.5379E-04 3.9455E-04 7.4797E-04 1.1734E-03 1.6479E-03 2.6832E-03 3.7741E-03 4.0173E-03 4.8768E-03 7.0211E-03 9.0418E-03 1.3542E-02 1.7375E-02 2.0676E-02 2.3591E-02 2.6210E-02 2.8592E-02 3.0775E-02 3.2793E-02 3.4662E-02 3.6416E-02 3.8036E-02 3.9560E-02 4.0939E-02 4.3467E-02 4.5726E-02 4.7794E-02 4.9632E-02 5.1356E-02 5.2888E-02 5.4343E-02 6.0202E-02 6.4530E-02 6.7938E-02 7.2917E-02 7.6440E-02 8.2070E-02 8.5401E-02 8.9269E-02 9.1529E-02 9.2984E-02 9.4018E-02 9.5397E-02 9.6316E-02 9.7618E-02 9.8346E-02 9.9112E-02 9.9494E-02 9.9763E-02 9.9954E-02 1.0018E-01 1.0034E-01 1.0053E-01 1.0064E-01 1.0076E-01 1.0083E-01 1.0087E-01 1.0091E-01 1.0091E-01 1.0095E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.4501E-08 2.8022E-06 9.8690E-06 4.0250E-05 8.0078E-05 1.2282E-04 1.6533E-04 2.0646E-04 2.4575E-04 2.8305E-04 3.1828E-04 3.5149E-04 3.8274E-04 4.1245E-04 4.4041E-04 4.6722E-04 5.1662E-04 5.6143E-04 6.0240E-04 6.3994E-04 6.7479E-04 7.0657E-04 7.3644E-04 8.5976E-04 9.5244E-04 1.0260E-03 1.1363E-03 1.2159E-03 1.3473E-03 1.4292E-03 1.5296E-03 1.5893E-03 1.6303E-03 1.6602E-03 1.7015E-03 1.7291E-03 1.7705E-03 1.7938E-03 1.8195E-03 1.8344E-03 1.8436E-03 1.8501E-03 1.8589E-03 1.8643E-03 1.8719E-03 1.8761E-03 1.8804E-03 1.8830E-03 1.8846E-03 1.8857E-03 1.8869E-03 1.8876E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Na.mat0000644000276300001750000001666213136054446020330 0ustar solebliss00000000000000Sodium 1 11 1.000000 2 4 94 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.0721E-03 1.0721E-03 1.5000E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.9190E+00 1.0167E+03 2.5146E+00 1.8978E+00 1.8978E+00 1.7747E+00 1.6414E+00 1.4027E+00 1.1851E+00 9.9252E-01 8.3064E-01 5.9305E-01 4.4086E-01 2.4702E-01 1.6123E-01 8.5972E-02 5.3254E-02 3.6070E-02 2.5998E-02 1.5327E-02 1.0090E-02 4.6417E-03 2.6483E-03 1.7078E-03 1.1911E-03 8.7722E-04 6.7268E-04 5.3214E-04 4.3143E-04 3.5678E-04 2.9993E-04 2.5564E-04 1.9211E-04 1.6888E-04 1.4963E-04 1.1982E-04 1.0813E-04 1.0352E-04 6.9233E-05 6.4014E-05 5.5200E-05 4.8094E-05 4.2284E-05 3.3425E-05 2.7059E-05 2.5899E-05 2.2342E-05 1.5997E-05 1.2023E-05 6.7635E-06 4.3300E-06 3.0072E-06 2.2088E-06 1.6911E-06 1.3362E-06 1.0824E-06 8.9455E-07 7.5153E-07 6.4046E-07 5.5219E-07 4.8094E-07 4.2279E-07 3.3398E-07 2.7059E-07 2.2360E-07 1.8790E-07 1.6010E-07 1.3805E-07 1.2026E-07 6.7635E-08 4.3300E-08 3.0072E-08 1.6909E-08 1.0821E-08 4.8094E-09 2.7059E-09 1.2023E-09 6.7635E-10 4.3274E-10 3.0072E-10 1.6909E-10 1.0821E-10 4.8094E-11 2.7059E-11 1.2023E-11 6.7635E-12 4.3274E-12 3.0072E-12 1.6909E-12 1.0821E-12 4.8094E-13 2.7059E-13 1.2023E-13 6.7635E-14 4.3274E-14 3.0072E-14 1.6909E-14 1.0821E-14 INCOHERENT SCATTERING CROSS SECTION 1.2699E-02 1.6252E+09 1.1616E-02 1.3841E-02 1.3841E-02 1.9942E-02 2.6378E-02 3.9476E-02 5.2835E-02 6.5566E-02 7.7170E-02 9.6240E-02 1.1010E-01 1.3001E-01 1.3975E-01 1.4842E-01 1.5091E-01 1.5059E-01 1.4892E-01 1.4399E-01 1.3860E-01 1.2623E-01 1.1623E-01 1.0813E-01 1.0145E-01 9.5847E-02 9.1053E-02 8.6890E-02 8.3221E-02 7.9952E-02 7.7013E-02 7.4353E-02 6.9720E-02 6.7688E-02 6.5811E-02 6.2425E-02 6.0877E-02 6.0222E-02 5.4433E-02 5.3347E-02 5.1324E-02 4.9482E-02 4.7797E-02 4.4810E-02 4.2226E-02 4.1702E-02 3.9971E-02 3.6241E-02 3.3241E-02 2.7714E-02 2.3937E-02 2.1158E-02 1.9017E-02 1.7307E-02 1.5908E-02 1.4740E-02 1.3750E-02 1.2893E-02 1.2147E-02 1.1492E-02 1.0910E-02 1.0389E-02 9.4956E-03 8.7569E-03 8.1335E-03 7.5991E-03 7.1355E-03 6.7321E-03 6.3758E-03 5.0661E-03 4.2279E-03 3.6437E-03 2.8736E-03 2.3848E-03 1.6982E-03 1.3315E-03 9.4380E-04 7.3922E-04 6.1191E-04 5.2390E-04 4.0916E-04 3.3660E-04 2.3507E-04 1.8195E-04 1.2652E-04 9.7654E-05 7.9842E-05 6.7714E-05 5.2154E-05 4.2593E-05 2.9443E-05 2.2627E-05 1.5604E-05 1.1982E-05 9.7550E-06 8.2461E-06 6.3234E-06 5.1447E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 6.5225E+02 3.2039E+05 4.2126E+03 5.4119E+02 6.4335E+03 3.1932E+03 1.5190E+03 5.0556E+02 2.2491E+02 1.1830E+02 6.9390E+01 2.9495E+01 1.5023E+01 4.3169E+00 1.7564E+00 4.8539E-01 1.9274E-01 9.3699E-02 5.1866E-02 2.0325E-02 9.8257E-03 2.6378E-03 1.0525E-03 5.2331E-04 2.9993E-04 1.8987E-04 1.2922E-04 9.2931E-05 6.9888E-05 5.4486E-05 4.3588E-05 3.5563E-05 2.5259E-05 2.2032E-05 1.9603E-05 1.5616E-05 1.3695E-05 1.2872E-05 8.7307E-06 8.1717E-06 7.1628E-06 6.3287E-06 5.6623E-06 4.6726E-06 3.9633E-06 3.8323E-06 3.4272E-06 2.6859E-06 2.2004E-06 1.5044E-06 1.1379E-06 9.1315E-07 7.6175E-07 6.5304E-07 5.7131E-07 5.0739E-07 4.5658E-07 4.1466E-07 3.8009E-07 3.5049E-07 3.2534E-07 3.0360E-07 2.6745E-07 2.3921E-07 2.1629E-07 1.9738E-07 1.8148E-07 1.6796E-07 1.5630E-07 1.1604E-07 9.2284E-08 7.6594E-08 5.7157E-08 4.5579E-08 3.0255E-08 2.2648E-08 1.5067E-08 1.1287E-08 9.0241E-09 7.5179E-09 5.6345E-09 4.5081E-09 3.0046E-09 2.2520E-09 1.5010E-09 1.1256E-09 9.0058E-10 7.5048E-10 5.6267E-10 4.5029E-10 3.0019E-10 2.2509E-10 1.5004E-10 1.1253E-10 9.0032E-11 7.5022E-11 5.6267E-11 4.5003E-11 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 2.5852E-05 4.1838E-05 8.5179E-05 1.4211E-04 2.1059E-04 3.7459E-04 5.6398E-04 6.0798E-04 7.6771E-04 1.1887E-03 1.6081E-03 2.6043E-03 3.4918E-03 4.2855E-03 4.9927E-03 5.6319E-03 6.2082E-03 6.7347E-03 7.2114E-03 7.6489E-03 8.0549E-03 8.4321E-03 8.7858E-03 9.1158E-03 9.7235E-03 1.0268E-02 1.0761E-02 1.1209E-02 1.1617E-02 1.1997E-02 1.2348E-02 1.3789E-02 1.4876E-02 1.5738E-02 1.7032E-02 1.7964E-02 1.9473E-02 2.0390E-02 2.1467E-02 2.2093E-02 2.2507E-02 2.2803E-02 2.3201E-02 2.3460E-02 2.3835E-02 2.4042E-02 2.4264E-02 2.4385E-02 2.4461E-02 2.4513E-02 2.4581E-02 2.4623E-02 2.4686E-02 2.4717E-02 2.4752E-02 2.4770E-02 2.4780E-02 2.4788E-02 2.4799E-02 2.4804E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 1.1120E-07 3.2993E-06 1.1625E-05 4.7465E-05 9.4590E-05 1.4528E-04 1.9586E-04 2.4500E-04 2.9207E-04 3.3687E-04 3.7956E-04 4.1990E-04 4.5789E-04 4.9404E-04 5.2861E-04 5.6136E-04 6.2239E-04 6.7818E-04 7.2953E-04 7.7694E-04 8.2121E-04 8.6207E-04 9.0058E-04 1.0617E-03 1.1866E-03 1.2875E-03 1.4431E-03 1.5591E-03 1.7558E-03 1.8824E-03 2.0406E-03 2.1375E-03 2.2046E-03 2.2541E-03 2.3235E-03 2.3701E-03 2.4406E-03 2.4812E-03 2.5260E-03 2.5524E-03 2.5689E-03 2.5805E-03 2.5959E-03 2.6056E-03 2.6192E-03 2.6273E-03 2.6352E-03 2.6404E-03 2.6431E-03 2.6431E-03 2.6457E-03 2.6483E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Pd.mat0000644000276300001750000002005013136054446020317 0ustar solebliss00000000000000Pd 1 46 1.000000 5 7 3 3 9 84 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 3.0000E-03 3.1733E-03 3.1733E-03 3.2509E-03 3.3303E-03 3.3303E-03 3.4646E-03 3.6043E-03 3.6043E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 2.4350E-02 2.4350E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 7.6338E+00 4.9181E+01 8.5426E+00 7.2716E+00 6.8415E+00 5.9418E+00 5.7890E+00 5.7890E+00 5.7229E+00 5.6560E+00 5.6560E+00 5.5434E+00 5.4280E+00 5.4280E+00 5.1162E+00 4.4229E+00 3.8605E+00 3.0405E+00 2.4797E+00 1.6179E+00 1.1176E+00 8.5222E-01 8.5222E-01 6.2813E-01 4.1038E-01 2.8917E-01 2.1385E-01 1.3055E-01 8.8334E-02 4.2854E-02 2.5216E-02 1.6556E-02 1.1691E-02 8.6944E-03 6.7170E-03 5.3430E-03 4.3505E-03 3.6107E-03 3.0445E-03 2.6012E-03 1.9619E-03 1.7271E-03 1.5320E-03 1.2292E-03 1.1103E-03 1.0633E-03 7.1301E-04 6.5948E-04 5.6891E-04 4.9577E-04 4.3592E-04 3.4472E-04 2.7938E-04 2.6749E-04 2.3096E-04 1.6546E-04 1.2432E-04 6.9943E-05 4.4784E-05 3.1107E-05 2.2856E-05 1.7497E-05 1.3825E-05 1.1199E-05 9.2579E-06 7.7752E-06 6.6265E-06 5.7154E-06 4.9775E-06 4.3748E-06 3.4570E-06 2.8000E-06 2.3139E-06 1.9444E-06 1.6569E-06 1.4289E-06 1.2444E-06 7.0000E-07 4.4801E-07 3.1112E-07 1.7503E-07 1.1199E-07 4.9775E-08 2.8000E-08 1.2444E-08 7.0000E-09 4.4801E-09 3.1112E-09 1.7497E-09 1.1199E-09 4.9775E-10 2.8000E-10 1.2444E-10 7.0000E-11 4.4801E-11 3.1112E-11 1.7497E-11 1.1199E-11 4.9775E-12 2.8000E-12 1.2444E-12 7.0000E-13 4.4801E-13 3.1112E-13 1.7497E-13 1.1199E-13 INCOHERENT SCATTERING CROSS SECTION 4.2702E-03 3.1558E-03 1.4164E-03 8.4656E-03 1.2981E-02 2.1549E-02 2.2913E-02 2.2913E-02 2.3518E-02 2.4135E-02 2.4135E-02 2.5167E-02 2.6229E-02 2.6229E-02 2.9177E-02 3.6188E-02 4.2741E-02 5.4393E-02 6.3945E-02 8.0808E-02 9.1899E-02 9.8803E-02 9.8803E-02 1.0525E-01 1.1221E-01 1.1572E-01 1.1731E-01 1.1731E-01 1.1533E-01 1.0820E-01 1.0118E-01 9.5011E-02 8.9693E-02 8.5099E-02 8.1091E-02 7.7558E-02 7.4414E-02 7.1592E-02 6.9038E-02 6.6711E-02 6.2631E-02 6.0833E-02 5.9170E-02 5.6172E-02 5.4806E-02 5.4229E-02 4.9062E-02 4.8087E-02 4.6273E-02 4.4620E-02 4.3107E-02 4.0425E-02 3.8107E-02 3.7637E-02 3.6079E-02 3.2708E-02 2.9998E-02 2.5029E-02 2.1617E-02 1.9110E-02 1.7175E-02 1.5630E-02 1.4368E-02 1.3315E-02 1.2421E-02 1.1646E-02 1.0972E-02 1.0378E-02 9.8577E-03 9.3824E-03 8.5788E-03 7.9111E-03 7.3452E-03 6.8642E-03 6.4454E-03 6.0833E-03 5.7607E-03 4.5763E-03 3.8197E-03 3.2912E-03 2.5957E-03 2.1543E-03 1.5341E-03 1.2031E-03 8.5279E-04 6.6774E-04 5.5276E-04 4.7325E-04 3.6964E-04 3.0411E-04 2.1238E-04 1.6439E-04 1.1431E-04 8.8221E-05 7.2150E-05 6.1172E-05 4.7121E-05 3.8474E-05 2.6591E-05 2.0440E-05 1.4096E-05 1.0825E-05 8.8165E-06 7.4527E-06 5.7154E-06 4.6476E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 6.5303E+03 1.2970E+06 3.2114E+04 2.5714E+03 1.2851E+03 4.6697E+02 4.0489E+02 1.3496E+03 1.2777E+03 1.2099E+03 1.6586E+03 1.5098E+03 1.3740E+03 1.5766E+03 1.2217E+03 6.8698E+02 4.2685E+02 1.9863E+02 1.0848E+02 3.5447E+01 1.5833E+01 9.0768E+00 5.8060E+01 3.3913E+01 1.5613E+01 8.4430E+00 5.0675E+00 2.2324E+00 1.1731E+00 3.6047E-01 1.5635E-01 8.2393E-02 4.9266E-02 3.2191E-02 2.2460E-02 1.6480E-02 1.2585E-02 9.9239E-03 8.0242E-03 6.6215E-03 4.7598E-03 4.1355E-03 3.6428E-03 2.8880E-03 2.5793E-03 2.4548E-03 1.6563E-03 1.5418E-03 1.3461E-03 1.1878E-03 1.0590E-03 8.6395E-04 7.2433E-04 6.9887E-04 6.2042E-04 4.7807E-04 3.8605E-04 2.5663E-04 1.9025E-04 1.5041E-04 1.2404E-04 1.0542E-04 9.1503E-05 8.0808E-05 7.2320E-05 6.5416E-05 5.9757E-05 5.4930E-05 5.0833E-05 4.7302E-05 4.1519E-05 3.6992E-05 3.3353E-05 3.0360E-05 2.7858E-05 2.5736E-05 2.3914E-05 1.7656E-05 1.3989E-05 1.1584E-05 8.6184E-06 6.8585E-06 4.5446E-06 3.3970E-06 2.2573E-06 1.6903E-06 1.3508E-06 1.1250E-06 8.4317E-07 6.7397E-07 4.4909E-07 3.3670E-07 2.2443E-07 1.6829E-07 1.3462E-07 1.1216E-07 8.4090E-08 6.7284E-08 4.4858E-08 3.3642E-08 2.2426E-08 1.6818E-08 1.3457E-08 1.1216E-08 8.4090E-09 6.7284E-09 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.5352E-04 2.3863E-04 4.5431E-04 7.1980E-04 1.0258E-03 1.7291E-03 2.5086E-03 2.6851E-03 3.3178E-03 4.9457E-03 6.5246E-03 1.0124E-02 1.3247E-02 1.5947E-02 1.8363E-02 2.0536E-02 2.2505E-02 2.4310E-02 2.5974E-02 2.7502E-02 2.8922E-02 3.0224E-02 3.1429E-02 3.2555E-02 3.4615E-02 3.6460E-02 3.8135E-02 3.9657E-02 4.1044E-02 4.2311E-02 4.3483E-02 4.8242E-02 5.1767E-02 5.4517E-02 5.8569E-02 6.1455E-02 6.6039E-02 6.8755E-02 7.1980E-02 7.3791E-02 7.4980E-02 7.5885E-02 7.7017E-02 7.7752E-02 7.8828E-02 7.9450E-02 8.0073E-02 8.0412E-02 8.0638E-02 8.0752E-02 8.0978E-02 8.1091E-02 8.1261E-02 8.1317E-02 8.1431E-02 8.1487E-02 8.1544E-02 8.1544E-02 8.1544E-02 8.1600E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.0041E-07 2.9782E-06 1.0491E-05 4.2809E-05 8.5222E-05 1.3078E-04 1.7616E-04 2.2007E-04 2.6212E-04 3.0201E-04 3.3981E-04 3.7541E-04 4.0902E-04 4.4094E-04 4.7115E-04 4.9990E-04 5.5309E-04 6.0153E-04 6.4567E-04 6.8642E-04 7.2433E-04 7.5885E-04 7.9167E-04 9.2579E-04 1.0276E-03 1.1086E-03 1.2308E-03 1.3196E-03 1.4668E-03 1.5584E-03 1.6711E-03 1.7384E-03 1.7842E-03 1.8182E-03 1.8640E-03 1.8946E-03 1.9398E-03 1.9653E-03 1.9930E-03 2.0095E-03 2.0196E-03 2.0264E-03 2.0355E-03 2.0417E-03 2.0496E-03 2.0542E-03 2.0587E-03 2.0615E-03 2.0632E-03 2.0638E-03 2.0649E-03 2.0660E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Tc.mat0000644000276300001750000001772413136054446020340 0ustar solebliss00000000000000Tc 1 43 1.000000 5 6 3 3 9 84 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 2.6769E-03 2.6769E-03 2.7344E-03 2.7932E-03 2.7932E-03 3.0000E-03 3.0425E-03 3.0425E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 2.1044E-02 2.1044E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 7.1165E+00 5.0744E+01 8.1454E+00 6.6921E+00 6.2431E+00 5.6643E+00 5.6643E+00 5.6164E+00 5.5678E+00 5.5678E+00 5.4005E+00 5.3666E+00 5.3666E+00 4.6734E+00 4.0700E+00 3.5773E+00 2.8442E+00 2.3269E+00 1.4965E+00 1.0253E+00 9.5646E-01 9.5646E-01 5.7800E-01 3.7699E-01 2.6418E-01 1.9480E-01 1.1877E-01 8.0453E-02 3.8935E-02 2.2850E-02 1.4985E-02 1.0573E-02 7.8570E-03 6.0666E-03 4.8243E-03 3.9273E-03 3.2587E-03 2.7470E-03 2.3466E-03 1.7693E-03 1.5574E-03 1.3814E-03 1.1082E-03 1.0007E-03 9.5830E-04 6.4215E-04 5.9395E-04 5.1244E-04 4.4655E-04 3.9255E-04 3.1028E-04 2.5157E-04 2.4093E-04 2.0814E-04 1.4908E-04 1.1195E-04 6.2985E-05 4.0325E-05 2.8005E-05 2.0575E-05 1.5752E-05 1.2449E-05 1.0081E-05 8.3344E-06 6.9997E-06 5.9663E-06 5.1446E-06 4.4815E-06 3.9390E-06 3.1123E-06 2.5206E-06 2.0833E-06 1.7505E-06 1.4916E-06 1.2861E-06 1.1207E-06 6.3046E-07 4.0337E-07 2.8011E-07 1.5752E-07 1.0081E-07 4.4815E-08 2.5206E-08 1.1207E-08 6.3046E-09 4.0337E-09 2.8011E-09 1.5759E-09 1.0081E-09 4.4815E-10 2.5206E-10 1.1207E-10 6.3046E-11 4.0337E-11 2.8011E-11 1.5759E-11 1.0081E-11 4.4815E-12 2.5206E-12 1.1207E-12 6.3046E-13 4.0337E-13 2.8011E-13 1.5759E-13 1.0081E-13 INCOHERENT SCATTERING CROSS SECTION 7.0243E-03 2.0631E-02 2.9976E-03 1.2093E-02 1.6736E-02 2.2574E-02 2.2574E-02 2.3052E-02 2.3539E-02 2.3539E-02 2.5237E-02 2.5575E-02 2.5575E-02 3.2975E-02 4.0073E-02 4.6630E-02 5.8033E-02 6.7229E-02 8.3713E-02 9.4969E-02 9.6815E-02 9.6815E-02 1.0856E-01 1.1545E-01 1.1896E-01 1.2037E-01 1.2006E-01 1.1785E-01 1.1041E-01 1.0315E-01 9.6809E-02 9.1340E-02 8.6605E-02 8.2483E-02 7.8867E-02 7.5656E-02 7.2776E-02 7.0181E-02 6.7831E-02 6.3709E-02 6.1878E-02 6.0172E-02 5.7093E-02 5.5702E-02 5.5118E-02 4.9859E-02 4.8868E-02 4.7025E-02 4.5344E-02 4.3802E-02 4.1069E-02 3.8720E-02 3.8246E-02 3.6670E-02 3.3239E-02 3.0478E-02 2.5434E-02 2.1965E-02 1.9418E-02 1.7450E-02 1.5882E-02 1.4602E-02 1.3526E-02 1.2615E-02 1.1834E-02 1.1145E-02 1.0549E-02 1.0014E-02 9.5338E-03 8.7158E-03 8.0392E-03 7.4671E-03 6.9751E-03 6.5507E-03 6.1816E-03 5.8513E-03 4.6494E-03 3.8812E-03 3.3442E-03 2.6375E-03 2.1891E-03 1.5586E-03 1.2222E-03 8.6604E-04 6.7844E-04 5.6164E-04 4.8087E-04 3.7557E-04 3.0896E-04 2.1577E-04 1.6700E-04 1.1613E-04 8.9618E-05 7.3257E-05 6.2124E-05 4.7878E-05 3.9095E-05 2.7015E-05 2.0771E-05 1.4325E-05 1.0998E-05 8.9557E-06 7.5717E-06 5.8046E-06 4.7226E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 5.3494E+03 1.1276E+06 2.6782E+04 2.0851E+03 1.0377E+03 5.0148E+02 1.8059E+03 1.6980E+03 1.5968E+03 2.2180E+03 1.8569E+03 1.7948E+03 2.0538E+03 1.0315E+03 5.7947E+02 3.5823E+02 1.6540E+02 8.9926E+01 2.9186E+01 1.2978E+01 1.1238E+01 7.3749E+01 2.9241E+01 1.3310E+01 7.1412E+00 4.2564E+00 1.8600E+00 9.7061E-01 2.9561E-01 1.2738E-01 6.6829E-02 3.9839E-02 2.5973E-02 1.8084E-02 1.3241E-02 1.0094E-02 7.9487E-03 6.4215E-03 5.2960E-03 3.8049E-03 3.3055E-03 2.9114E-03 2.3076E-03 2.0605E-03 1.9609E-03 1.3231E-03 1.2318E-03 1.0759E-03 9.4969E-04 8.4687E-04 6.9112E-04 5.7990E-04 5.5967E-04 4.9720E-04 3.8339E-04 3.0970E-04 2.0624E-04 1.5309E-04 1.2117E-04 1.0001E-04 8.5005E-05 7.3872E-05 6.5261E-05 5.8409E-05 5.2861E-05 4.8260E-05 4.4385E-05 4.1088E-05 3.8240E-05 3.3578E-05 2.9924E-05 2.6978E-05 2.4567E-05 2.2543E-05 2.0827E-05 1.9357E-05 1.4295E-05 1.1330E-05 9.3862E-06 6.9812E-06 5.5598E-06 3.6831E-06 2.7537E-06 1.8299E-06 1.3704E-06 1.0949E-06 9.1217E-07 6.8336E-07 5.4650E-07 3.6413E-07 2.7298E-07 1.8194E-07 1.3643E-07 1.0912E-07 9.0910E-08 6.8213E-08 5.4558E-08 3.6370E-08 2.7273E-08 1.8182E-08 1.3636E-08 1.0912E-08 9.0910E-09 6.8213E-09 5.4546E-09 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.3962E-04 2.1758E-04 4.1609E-04 6.6183E-04 9.4647E-04 1.6044E-03 2.3367E-03 2.5028E-03 3.0992E-03 4.6419E-03 6.1447E-03 9.5769E-03 1.2572E-02 1.5168E-02 1.7493E-02 1.9578E-02 2.1479E-02 2.3213E-02 2.4806E-02 2.6270E-02 2.7624E-02 2.8866E-02 3.0016E-02 3.1099E-02 3.3073E-02 3.4845E-02 3.6456E-02 3.7914E-02 3.9249E-02 4.0473E-02 4.1598E-02 4.6168E-02 4.9557E-02 5.2190E-02 5.6090E-02 5.8858E-02 6.3292E-02 6.5876E-02 6.8951E-02 7.0735E-02 7.1904E-02 7.2765E-02 7.3872E-02 7.4548E-02 7.5594E-02 7.6209E-02 7.6824E-02 7.7132E-02 7.7316E-02 7.7501E-02 7.7685E-02 7.7808E-02 7.7931E-02 7.8054E-02 7.8116E-02 7.8177E-02 7.8239E-02 7.8239E-02 7.8239E-02 7.8300E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.0210E-07 3.0279E-06 1.0666E-05 4.3511E-05 8.6604E-05 1.3292E-04 1.7905E-04 2.2377E-04 2.6652E-04 3.0711E-04 3.4556E-04 3.8185E-04 4.1598E-04 4.4852E-04 4.7934E-04 5.0855E-04 5.6280E-04 6.1213E-04 6.5753E-04 6.9874E-04 7.3749E-04 7.7255E-04 8.0576E-04 9.4293E-04 1.0475E-03 1.1299E-03 1.2548E-03 1.3458E-03 1.4971E-03 1.5925E-03 1.7093E-03 1.7794E-03 1.8280E-03 1.8637E-03 1.9129E-03 1.9455E-03 1.9947E-03 2.0230E-03 2.0538E-03 2.0716E-03 2.0827E-03 2.0907E-03 2.1011E-03 2.1079E-03 2.1165E-03 2.1220E-03 2.1270E-03 2.1300E-03 2.1319E-03 2.1331E-03 2.1343E-03 2.1356E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/MATERIALS.DICT0000644000276300001750000000235313136054446021245 0ustar solebliss00000000000000[Air] Comment = Dry Air (Near sea level) density=0.001204790 g/cm3 CompoundList = C1, N1, O1, Ar1, Kr1 CompoundFraction = 0.0001240, 0.755267, 0.231780, 0.012827, 3.2E-6 Density = 0.001204790 Thickness = 1.0 [Goethite] Comment = Mineral FeO(OH) density from 3.3 to 4.3 density=4.3 g/cm3 CompoundList = Fe1O2H1 CompoundFraction = 1.0 Density = 4.3 Thickness = 0.1 [Mylar] Comment = Mylar (Polyethylene Terephthalate) density=1.40 g/cm3 CompoundList = H1, C1, O1 CompoundFraction = 0.0419590, 0.625017, 0.333025 Density = 1.40 [Kapton] Comment = Kapton 100 HN 25 micron density=1.42 g/cm3 CompoundList = C1, N1, O1 CompoundFraction = 0.628772, 0.066659, 0.304569 Density = 1.42 Thickness = 0.0025 [Teflon] Comment = Teflon density=2.2 g/cm3 CompoundList = C1,F1 CompoundFraction = 0.240183, 0.759817 Density = 2.2 [Viton] Comment = Viton Fluoroelastomer density=1.8 g/cm3 CompoundList = H1,C1,F1 CompoundFraction = 0.0094170, 0.2805550, 0.7100280 Density = 1.8 [Water] Comment = Water density=1.0 g/cm3 CompoundList = H2O1 CompoundFraction = 1.0 Density = 1.0 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Te.mat0000644000276300001750000002027613136054446020336 0ustar solebliss00000000000000Te 1 52 1.000000 6 4 6 3 3 9 83 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.0060E-03 1.0060E-03 1.5000E-03 2.0000E-03 3.0000E-03 4.0000E-03 4.3414E-03 4.3414E-03 4.4747E-03 4.6120E-03 4.6120E-03 4.7728E-03 4.9392E-03 4.9392E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 3.1814E-02 3.1814E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 8.0515E+00 5.9057E+27 4.6295E+01 8.0468E+00 8.0468E+00 7.6079E+00 7.1218E+00 6.1968E+00 5.4039E+00 5.1632E+00 5.1632E+00 5.0743E+00 4.9838E+00 4.9838E+00 4.8781E+00 4.7715E+00 4.7715E+00 4.7337E+00 4.1702E+00 3.2900E+00 2.6713E+00 1.7604E+00 1.2483E+00 7.0699E-01 6.4894E-01 6.4894E-01 4.6100E-01 3.2730E-01 2.4405E-01 1.4985E-01 1.0147E-01 4.9319E-02 2.9162E-02 1.9211E-02 1.3592E-02 1.0121E-02 7.8250E-03 6.2274E-03 5.0735E-03 4.2142E-03 3.5562E-03 3.0405E-03 2.2951E-03 2.0209E-03 1.7929E-03 1.4390E-03 1.3002E-03 1.2455E-03 8.3536E-04 7.7263E-04 6.6658E-04 5.8098E-04 5.1092E-04 4.0416E-04 3.2763E-04 3.1371E-04 2.7090E-04 1.9409E-04 1.4583E-04 8.2073E-05 5.2576E-05 3.6501E-05 2.6816E-05 2.0535E-05 1.6226E-05 1.3144E-05 1.0860E-05 9.1276E-06 7.7778E-06 6.7065E-06 5.8428E-06 5.1349E-06 4.0564E-06 3.2857E-06 2.7156E-06 2.2819E-06 1.9445E-06 1.6764E-06 1.4607E-06 8.2167E-07 5.2576E-07 3.6510E-07 2.0535E-07 1.3144E-07 5.8428E-08 3.2857E-08 1.4602E-08 8.2167E-09 5.2576E-09 3.6510E-09 2.0535E-09 1.3144E-09 5.8428E-10 3.2857E-10 1.4602E-10 8.2167E-11 5.2576E-11 3.6510E-11 2.0535E-11 1.3144E-11 5.8428E-12 3.2857E-12 1.4602E-12 8.2167E-13 5.2576E-13 3.6510E-13 2.0535E-13 1.3144E-13 INCOHERENT SCATTERING CROSS SECTION 4.7431E-03 2.9427E+25 4.0062E-02 4.7903E-03 4.7903E-03 8.9483E-03 1.3257E-02 2.1365E-02 2.8454E-02 3.0635E-02 3.0635E-02 3.1463E-02 3.2305E-02 3.2305E-02 3.3273E-02 3.4254E-02 3.4254E-02 3.4608E-02 4.0111E-02 4.9838E-02 5.8239E-02 7.4191E-02 8.4621E-02 9.6987E-02 9.8450E-02 9.8450E-02 1.0350E-01 1.0699E-01 1.0869E-01 1.0907E-01 1.0751E-01 1.0123E-01 9.4863E-02 8.9172E-02 8.4244E-02 7.9989E-02 7.6268E-02 7.2973E-02 7.0038E-02 6.7409E-02 6.5035E-02 6.2876E-02 5.9055E-02 5.7342E-02 5.5741E-02 5.2886E-02 5.1632E-02 5.1113E-02 4.6233E-02 4.5308E-02 4.3602E-02 4.2051E-02 4.0626E-02 3.8094E-02 3.5916E-02 3.5477E-02 3.4017E-02 3.0837E-02 2.8275E-02 2.3593E-02 2.0379E-02 1.8014E-02 1.6193E-02 1.4739E-02 1.3550E-02 1.2554E-02 1.1709E-02 1.0982E-02 1.0345E-02 9.7883E-03 9.2928E-03 8.8491E-03 8.0846E-03 7.4569E-03 6.9283E-03 6.4705E-03 6.0788E-03 5.7342E-03 5.4275E-03 4.3141E-03 3.6015E-03 3.1031E-03 2.4471E-03 2.0313E-03 1.4465E-03 1.1341E-03 8.0374E-04 6.2959E-04 5.2104E-04 4.4619E-04 3.4849E-04 2.8671E-04 2.0020E-04 1.5499E-04 1.0775E-04 8.3158E-05 6.8009E-05 5.7673E-05 4.4430E-05 3.6274E-05 2.5070E-05 1.9275E-05 1.3290E-05 1.0204E-05 8.3111E-06 7.0227E-06 5.3850E-06 4.3816E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 8.4244E+03 1.1579E+06 3.7088E+04 8.3206E+03 8.6745E+03 3.6001E+03 1.8250E+03 6.7301E+02 3.2428E+02 2.6264E+02 7.8297E+02 7.3750E+02 6.9472E+02 9.3966E+02 8.6774E+02 8.0138E+02 9.2456E+02 8.9671E+02 5.6776E+02 2.6684E+02 1.4739E+02 4.8942E+01 2.2078E+01 7.0746E+00 5.9891E+00 3.6449E+01 2.0082E+01 1.1015E+01 6.6876E+00 2.9960E+00 1.5919E+00 4.9886E-01 2.1885E-01 1.1632E-01 7.0038E-02 4.6016E-02 3.2239E-02 2.3728E-02 1.8166E-02 1.4356E-02 1.1629E-02 9.6091E-03 6.9205E-03 6.0174E-03 5.3042E-03 4.2089E-03 3.7591E-03 3.5774E-03 2.4126E-03 2.2451E-03 1.9588E-03 1.7274E-03 1.5395E-03 1.2554E-03 1.0515E-03 1.0142E-03 8.9948E-04 6.9182E-04 5.5785E-04 3.6973E-04 2.7350E-04 2.1587E-04 1.7779E-04 1.5088E-04 1.3087E-04 1.1549E-04 1.0331E-04 9.3400E-05 8.5188E-05 7.8344E-05 7.2445E-05 6.7395E-05 5.9136E-05 5.2670E-05 4.7479E-05 4.3184E-05 3.9616E-05 3.6591E-05 3.3990E-05 2.5075E-05 1.9860E-05 1.6438E-05 1.2228E-05 9.7317E-06 6.4422E-06 4.8139E-06 3.1998E-06 2.3956E-06 1.9142E-06 1.5943E-06 1.1945E-06 9.5524E-07 6.3619E-07 4.7715E-07 3.1796E-07 2.3843E-07 1.9072E-07 1.5895E-07 1.1917E-07 9.5335E-08 6.3572E-08 4.7667E-08 3.1777E-08 2.3834E-08 1.9067E-08 1.5886E-08 1.1917E-08 9.5335E-09 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.7793E-04 2.7597E-04 5.2292E-04 8.2403E-04 1.1673E-03 1.9440E-03 2.7921E-03 2.9832E-03 3.6649E-03 5.4007E-03 7.0699E-03 1.0860E-02 1.4130E-02 1.6948E-02 1.9454E-02 2.1710E-02 2.3758E-02 2.5637E-02 2.7364E-02 2.8964E-02 3.0450E-02 3.1819E-02 3.3089E-02 3.4264E-02 3.6416E-02 3.8342E-02 4.0088E-02 4.1674E-02 4.3122E-02 4.4444E-02 4.5666E-02 5.0641E-02 5.4322E-02 5.7154E-02 6.1401E-02 6.4375E-02 6.9141E-02 7.2020E-02 7.5324E-02 7.7259E-02 7.8533E-02 7.9430E-02 8.0610E-02 8.1412E-02 8.2498E-02 8.3111E-02 8.3772E-02 8.4149E-02 8.4385E-02 8.4527E-02 8.4716E-02 8.4857E-02 8.5046E-02 8.5141E-02 8.5235E-02 8.5282E-02 8.5329E-02 8.5329E-02 8.5377E-02 8.5377E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.4759E-08 2.8092E-06 9.8922E-06 4.0338E-05 8.0279E-05 1.2318E-04 1.6589E-04 2.0724E-04 2.4674E-04 2.8431E-04 3.1980E-04 3.5326E-04 3.8478E-04 4.1480E-04 4.4312E-04 4.7007E-04 5.2009E-04 5.6540E-04 6.0693E-04 6.4516E-04 6.8009E-04 7.1265E-04 7.4286E-04 8.6840E-04 9.6373E-04 1.0392E-03 1.1525E-03 1.2351E-03 1.3715E-03 1.4569E-03 1.5617E-03 1.6245E-03 1.6674E-03 1.6990E-03 1.7425E-03 1.7712E-03 1.8142E-03 1.8383E-03 1.8647E-03 1.8803E-03 1.8897E-03 1.8963E-03 1.9053E-03 1.9109E-03 1.9185E-03 1.9227E-03 1.9270E-03 1.9298E-03 1.9312E-03 1.9327E-03 1.9336E-03 1.9345E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Co.mat0000644000276300001750000001666213136054446020333 0ustar solebliss00000000000000Co 1 27 1.000000 2 10 88 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 7.7089E-03 7.7089E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 4.6587E+00 3.4533E+01 5.3502E+00 4.3736E+00 4.0701E+00 3.4917E+00 2.9808E+00 2.5414E+00 2.1735E+00 1.6912E+00 1.6912E+00 1.6258E+00 1.2630E+00 7.7835E-01 5.3913E-01 2.9828E-01 1.8802E-01 1.3018E-01 9.5973E-02 5.8624E-02 3.9454E-02 1.8690E-02 1.0842E-02 7.0676E-03 4.9662E-03 3.6772E-03 2.8305E-03 2.2451E-03 1.8240E-03 1.5111E-03 1.2722E-03 1.0855E-03 8.1692E-04 7.1857E-04 6.3701E-04 5.1053E-04 4.6086E-04 4.4124E-04 2.9532E-04 2.7306E-04 2.3546E-04 2.0519E-04 1.8051E-04 1.4286E-04 1.1557E-04 1.1057E-04 9.5284E-05 6.8259E-05 5.1369E-05 2.8898E-05 1.8496E-05 1.2845E-05 9.4389E-06 7.2266E-06 5.7101E-06 4.6249E-06 3.8228E-06 3.2117E-06 2.7365E-06 2.3595E-06 2.0560E-06 1.8066E-06 1.4275E-06 1.1567E-06 9.5564E-07 8.0298E-07 6.8424E-07 5.8992E-07 5.1389E-07 2.8908E-07 1.8506E-07 1.2845E-07 7.2266E-08 4.6249E-08 2.0560E-08 1.1557E-08 5.1389E-09 2.8908E-09 1.8496E-09 1.2845E-09 7.2266E-10 4.6249E-10 2.0560E-10 1.1557E-10 5.1389E-11 2.8908E-11 1.8496E-11 1.2845E-11 7.2266E-12 4.6249E-12 2.0560E-12 1.1557E-12 5.1389E-13 2.8908E-13 1.8496E-13 1.2845E-13 7.2266E-14 4.6249E-14 INCOHERENT SCATTERING CROSS SECTION 8.0410E-03 2.8908E-02 3.3165E-03 1.4173E-02 1.9834E-02 3.0196E-02 3.9883E-02 4.8814E-02 5.6928E-02 6.9067E-02 6.9067E-02 7.0927E-02 8.2280E-02 1.0162E-01 1.1322E-01 1.2569E-01 1.3100E-01 1.3284E-01 1.3284E-01 1.3070E-01 1.2732E-01 1.1792E-01 1.0944E-01 1.0229E-01 9.6259E-02 9.1112E-02 8.6664E-02 8.2774E-02 7.9337E-02 7.6272E-02 7.3512E-02 7.1008E-02 6.6621E-02 6.4684E-02 6.2889E-02 5.9663E-02 5.8205E-02 5.7592E-02 5.2074E-02 5.1035E-02 4.9105E-02 4.7343E-02 4.5724E-02 4.2860E-02 4.0414E-02 3.9924E-02 3.8288E-02 3.4704E-02 3.1810E-02 2.6538E-02 2.2920E-02 2.0253E-02 1.8210E-02 1.6575E-02 1.5236E-02 1.4112E-02 1.3162E-02 1.2344E-02 1.1629E-02 1.1005E-02 1.0443E-02 9.9478E-03 9.0915E-03 8.3843E-03 7.7876E-03 7.2767E-03 6.8332E-03 6.4459E-03 6.1036E-03 4.8508E-03 4.0486E-03 3.4886E-03 2.7508E-03 2.2839E-03 1.6258E-03 1.2753E-03 9.0373E-04 7.0774E-04 5.8583E-04 5.0163E-04 3.9178E-04 3.2229E-04 2.2512E-04 1.7423E-04 1.2109E-04 9.3500E-05 7.6445E-05 6.4827E-05 4.9948E-05 4.0782E-05 2.8183E-05 2.1663E-05 1.4940E-05 1.1475E-05 9.3418E-06 7.8969E-06 6.0545E-06 4.9264E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 9.7904E+03 2.4868E+06 5.1847E+04 3.6920E+03 1.7750E+03 6.0933E+02 2.7999E+02 1.5175E+02 9.1487E+01 4.5350E+01 3.5377E+02 3.2311E+02 1.8281E+02 6.1128E+01 2.7376E+01 8.5376E+00 3.6613E+00 1.8812E+00 1.0852E+00 4.5207E-01 2.2818E-01 6.5675E-02 2.7314E-02 1.3982E-02 8.1841E-03 5.2597E-03 3.6215E-03 2.6289E-03 1.9906E-03 1.5593E-03 1.2538E-03 1.0295E-03 7.3558E-04 6.3887E-04 5.6342E-04 4.4675E-04 3.9750E-04 3.7737E-04 2.5516E-04 2.3793E-04 2.0820E-04 1.8393E-04 1.6415E-04 1.3432E-04 1.1332E-04 1.0954E-04 9.7753E-05 7.5828E-05 6.1475E-05 4.1375E-05 3.0952E-05 2.4647E-05 2.0437E-05 1.7433E-05 1.5195E-05 1.3458E-05 1.2068E-05 1.0944E-05 1.0005E-05 9.2141E-06 8.5397E-06 7.9552E-06 6.9977E-06 6.2456E-06 5.6386E-06 5.1389E-06 4.7200E-06 4.3644E-06 4.0578E-06 3.0043E-06 2.3850E-06 1.9773E-06 1.4725E-06 1.1731E-06 7.7825E-07 5.8215E-07 3.8698E-07 2.8990E-07 2.3176E-07 1.9303E-07 1.4470E-07 1.1567E-07 7.7069E-08 5.7786E-08 3.8514E-08 2.8878E-08 2.3104E-08 1.9252E-08 1.4439E-08 1.1547E-08 7.6997E-09 5.7745E-09 3.8493E-09 2.8867E-09 2.3094E-09 1.9252E-09 1.4439E-09 1.1547E-09 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 7.2858E-05 1.1538E-04 2.2688E-04 3.6920E-04 5.3792E-04 9.3875E-04 1.3989E-03 1.5052E-03 1.8889E-03 2.8879E-03 3.8708E-03 6.1751E-03 8.2096E-03 1.0021E-02 1.1629E-02 1.3080E-02 1.4388E-02 1.5573E-02 1.6656E-02 1.7637E-02 1.8547E-02 1.9405E-02 2.0192E-02 2.0938E-02 2.2307E-02 2.3523E-02 2.4627E-02 2.5628E-02 2.6548E-02 2.7386E-02 2.8162E-02 3.1320E-02 3.3680E-02 3.5540E-02 3.8299E-02 4.0271E-02 4.3439E-02 4.5340E-02 4.7567E-02 4.8855E-02 4.9703E-02 5.0316E-02 5.1124E-02 5.1645E-02 5.2411E-02 5.2820E-02 5.3269E-02 5.3515E-02 5.3668E-02 5.3770E-02 5.3913E-02 5.4005E-02 5.4118E-02 5.4189E-02 5.4250E-02 5.4291E-02 5.4312E-02 5.4332E-02 5.4353E-02 5.4363E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.0640E-07 3.1575E-06 1.1128E-05 4.5442E-05 9.0516E-05 1.3897E-04 1.8731E-04 2.3411E-04 2.7897E-04 3.2168E-04 3.6204E-04 4.0026E-04 4.3633E-04 4.7067E-04 5.0316E-04 5.3413E-04 5.9155E-04 6.4397E-04 6.9210E-04 7.3635E-04 7.7743E-04 8.1554E-04 8.5100E-04 9.9917E-04 1.1128E-03 1.2037E-03 1.3417E-03 1.4429E-03 1.6125E-03 1.7208E-03 1.8537E-03 1.9344E-03 1.9896E-03 2.0304E-03 2.0866E-03 2.1255E-03 2.1817E-03 2.2144E-03 2.2491E-03 2.2706E-03 2.2828E-03 2.2920E-03 2.3043E-03 2.3114E-03 2.3227E-03 2.3278E-03 2.3339E-03 2.3380E-03 2.3401E-03 2.3411E-03 2.3431E-03 2.3441E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Y.mat0000644000276300001750000002005013136054446020164 0ustar solebliss00000000000000Y 1 39 1.000000 5 6 3 3 9 85 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 2.0800E-03 2.0800E-03 2.1174E-03 2.1555E-03 2.1555E-03 2.2614E-03 2.3725E-03 2.3725E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 1.7038E-02 1.7038E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 6.3652E+00 3.6818E+01 7.3203E+00 5.9533E+00 5.5496E+00 5.4866E+00 5.4866E+00 5.4574E+00 5.4277E+00 5.4277E+00 5.3461E+00 5.2624E+00 5.2624E+00 4.8228E+00 4.1969E+00 3.6727E+00 3.2405E+00 2.5801E+00 2.0930E+00 1.3080E+00 1.1082E+00 1.1082E+00 8.9005E-01 5.0375E-01 3.2608E-01 2.2685E-01 1.6677E-01 1.0167E-01 6.8820E-02 3.3184E-02 1.9413E-02 1.2706E-02 8.9547E-03 6.6497E-03 5.1317E-03 4.0785E-03 3.3184E-03 2.7521E-03 2.3193E-03 1.9811E-03 1.4931E-03 1.3134E-03 1.1639E-03 9.3298E-04 8.4331E-04 8.0809E-04 5.4114E-04 5.0036E-04 4.3163E-04 3.7621E-04 3.3078E-04 2.6148E-04 2.1188E-04 2.0287E-04 1.7517E-04 1.2549E-04 9.4289E-05 5.3044E-05 3.3956E-05 2.3579E-05 1.7327E-05 1.3263E-05 1.0479E-05 8.4873E-06 7.0175E-06 5.8958E-06 5.0240E-06 4.3317E-06 3.7736E-06 3.3164E-06 2.6207E-06 2.1228E-06 1.7544E-06 1.4739E-06 1.2558E-06 1.0831E-06 9.4356E-07 5.3064E-07 3.3963E-07 2.3586E-07 1.3263E-07 8.4873E-08 3.7736E-08 2.1222E-08 9.4356E-09 5.3064E-09 3.3963E-09 2.3586E-09 1.3263E-09 8.4873E-10 3.7736E-10 2.1222E-10 9.4356E-11 5.3064E-11 3.3963E-11 2.3586E-11 1.3263E-11 8.4873E-12 3.7736E-12 2.1222E-12 9.4356E-13 5.3064E-13 3.3963E-13 2.3586E-13 1.3263E-13 8.4873E-14 INCOHERENT SCATTERING CROSS SECTION 8.3993E-03 1.6606E-02 3.9253E-03 1.3601E-02 1.8289E-02 1.9020E-02 1.9020E-02 1.9360E-02 1.9704E-02 1.9704E-02 2.0657E-02 2.1648E-02 2.1648E-02 2.7047E-02 3.5026E-02 4.2301E-02 4.8845E-02 5.9804E-02 6.8617E-02 8.5415E-02 9.0631E-02 9.0631E-02 9.6998E-02 1.1068E-01 1.1745E-01 1.2064E-01 1.2186E-01 1.2111E-01 1.1867E-01 1.1088E-01 1.0343E-01 9.6965E-02 9.1444E-02 8.6707E-02 8.2570E-02 7.8908E-02 7.5661E-02 7.2773E-02 7.0175E-02 6.7812E-02 6.3662E-02 6.1823E-02 6.0116E-02 5.7045E-02 5.5659E-02 5.5076E-02 4.9813E-02 4.8820E-02 4.6978E-02 4.5302E-02 4.3769E-02 4.1048E-02 3.8684E-02 3.8203E-02 3.6613E-02 3.3193E-02 3.0447E-02 2.5401E-02 2.1940E-02 1.9393E-02 1.7429E-02 1.5864E-02 1.4584E-02 1.3513E-02 1.2606E-02 1.1820E-02 1.1136E-02 1.0533E-02 1.0005E-02 9.5237E-03 8.7041E-03 8.0267E-03 7.4577E-03 6.9700E-03 6.5426E-03 6.1721E-03 5.8443E-03 4.6440E-03 3.8765E-03 3.3401E-03 2.6343E-03 2.1865E-03 1.5573E-03 1.2206E-03 8.6499E-04 6.7736E-04 5.6099E-04 4.8032E-04 3.7512E-04 3.0861E-04 2.1554E-04 1.6683E-04 1.1596E-04 8.9547E-05 7.3223E-05 6.2073E-05 4.7822E-05 3.9043E-05 2.6986E-05 2.0748E-05 1.4306E-05 1.0987E-05 8.9412E-06 7.5593E-06 5.7975E-06 4.7165E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 3.8576E+03 8.6327E+05 1.9663E+04 1.4875E+03 7.3629E+02 6.6835E+02 2.6200E+03 2.4741E+03 2.3362E+03 3.2574E+03 2.9050E+03 2.5929E+03 2.9560E+03 1.6494E+03 7.8913E+02 4.3873E+02 2.6925E+02 1.2314E+02 6.6551E+01 2.1391E+01 1.4915E+01 1.0167E+02 6.7567E+01 2.2692E+01 1.0201E+01 5.4162E+00 3.2039E+00 1.3845E+00 7.1733E-01 2.1547E-01 9.2053E-02 4.8007E-02 2.8490E-02 1.8507E-02 1.2850E-02 9.3890E-03 7.1462E-03 5.6213E-03 4.5363E-03 3.7367E-03 2.6801E-03 2.3281E-03 2.0514E-03 1.6265E-03 1.4509E-03 1.3798E-03 9.3137E-04 8.6742E-04 7.5790E-04 6.6910E-04 5.9684E-04 4.8750E-04 4.0940E-04 3.9517E-04 3.5126E-04 2.7125E-04 2.1940E-04 1.4645E-04 1.0885E-04 8.6296E-05 7.1258E-05 6.0651E-05 5.2733E-05 4.6616E-05 4.1753E-05 3.7797E-05 3.4518E-05 3.1761E-05 2.9404E-05 2.7372E-05 2.4046E-05 2.1438E-05 1.9332E-05 1.7605E-05 1.6162E-05 1.4936E-05 1.3879E-05 1.0255E-05 8.1351E-06 6.7377E-06 5.0152E-06 3.9937E-06 2.6464E-06 1.9786E-06 1.3148E-06 9.8488E-07 7.8709E-07 6.5548E-07 4.9122E-07 3.9280E-07 2.6173E-07 1.9623E-07 1.3080E-07 9.8082E-08 7.8438E-08 6.5365E-08 4.9021E-08 3.9219E-08 2.6139E-08 1.9610E-08 1.3073E-08 9.8014E-09 7.8438E-09 6.5352E-09 4.9014E-09 3.9212E-09 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.1935E-04 1.8667E-04 3.5929E-04 5.7467E-04 8.2590E-04 1.4111E-03 2.0653E-03 2.2136E-03 2.7478E-03 4.1398E-03 5.5056E-03 8.6364E-03 1.1380E-02 1.3771E-02 1.5904E-02 1.7828E-02 1.9576E-02 2.1168E-02 2.2631E-02 2.3965E-02 2.5198E-02 2.6329E-02 2.7386E-02 2.8375E-02 3.0190E-02 3.1822E-02 3.3299E-02 3.4640E-02 3.5866E-02 3.6984E-02 3.8020E-02 4.2227E-02 4.5343E-02 4.7774E-02 5.1364E-02 5.3911E-02 5.7969E-02 6.0394E-02 6.3218E-02 6.4851E-02 6.5921E-02 6.6686E-02 6.7709E-02 6.8346E-02 6.9294E-02 6.9836E-02 7.0445E-02 7.0716E-02 7.0920E-02 7.1055E-02 7.1191E-02 7.1326E-02 7.1462E-02 7.1529E-02 7.1665E-02 7.1665E-02 7.1733E-02 7.1733E-02 7.1733E-02 7.1800E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.0200E-07 3.0249E-06 1.0655E-05 4.3473E-05 8.6567E-05 1.3283E-04 1.7896E-04 2.2366E-04 2.6641E-04 3.0705E-04 3.4552E-04 3.8183E-04 4.1610E-04 4.4868E-04 4.7950E-04 5.0883E-04 5.6323E-04 6.1274E-04 6.5806E-04 6.9971E-04 7.3832E-04 7.7422E-04 8.0741E-04 9.4560E-04 1.0506E-03 1.1339E-03 1.2599E-03 1.3520E-03 1.5051E-03 1.6013E-03 1.7205E-03 1.7923E-03 1.8417E-03 1.8783E-03 1.9291E-03 1.9630E-03 2.0138E-03 2.0429E-03 2.0754E-03 2.0944E-03 2.1059E-03 2.1140E-03 2.1249E-03 2.1323E-03 2.1418E-03 2.1472E-03 2.1527E-03 2.1560E-03 2.1581E-03 2.1594E-03 2.1608E-03 2.1621E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Ir.mat0000644000276300001750000002205213136054446020332 0ustar solebliss00000000000000Ir 1 77 1.000000 10 6 3 3 3 3 7 3 3 8 80 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 2.0404E-03 2.0404E-03 2.0779E-03 2.1161E-03 2.1161E-03 2.3233E-03 2.5507E-03 2.5507E-03 2.7238E-03 2.9087E-03 2.9087E-03 3.0000E-03 3.1737E-03 3.1737E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.1215E-02 1.1215E-02 1.1993E-02 1.2824E-02 1.2824E-02 1.3118E-02 1.3419E-02 1.3419E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 7.6111E-02 7.6111E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.1893E+01 4.5973E+01 1.3026E+01 1.1413E+01 1.0865E+01 1.0818E+01 1.0818E+01 1.0776E+01 1.0733E+01 1.0733E+01 1.0506E+01 1.0251E+01 1.0251E+01 1.0053E+01 9.8437E+00 9.8437E+00 9.7434E+00 9.5555E+00 9.5555E+00 8.6970E+00 7.7697E+00 6.9614E+00 5.6581E+00 4.6681E+00 4.1825E+00 4.1825E+00 3.9010E+00 3.6311E+00 3.6311E+00 3.5441E+00 3.4588E+00 3.4588E+00 3.0527E+00 2.1514E+00 1.2713E+00 8.4276E-01 5.9683E-01 4.4676E-01 3.0480E-01 3.0480E-01 2.8087E-01 1.9337E-01 9.4834E-02 5.6518E-02 3.7651E-02 2.6899E-02 2.0167E-02 1.5674E-02 1.2529E-02 1.0242E-02 8.5266E-03 7.2089E-03 6.1752E-03 4.6784E-03 4.1261E-03 3.6658E-03 2.9489E-03 2.6668E-03 2.5552E-03 1.7197E-03 1.5916E-03 1.3749E-03 1.1996E-03 1.0559E-03 8.3633E-04 6.7828E-04 6.4946E-04 5.6091E-04 4.0231E-04 3.0264E-04 1.7049E-04 1.0918E-04 7.5848E-05 5.5735E-05 4.2702E-05 3.3742E-05 2.7326E-05 2.2585E-05 1.8979E-05 1.6172E-05 1.3945E-05 1.2146E-05 1.0677E-05 8.4370E-06 6.8329E-06 5.6487E-06 4.7464E-06 4.0446E-06 3.4870E-06 3.0371E-06 1.7084E-06 1.0934E-06 7.5942E-07 4.2702E-07 2.7335E-07 1.2150E-07 6.8329E-08 3.0371E-08 1.7084E-08 1.0934E-08 7.5942E-09 4.2702E-09 2.7335E-09 1.2150E-09 6.8329E-10 3.0371E-10 1.7084E-10 1.0934E-10 7.5942E-11 4.2702E-11 2.7335E-11 1.2150E-11 6.8329E-12 3.0371E-12 1.7084E-12 1.0934E-12 7.5942E-13 4.2702E-13 2.7335E-13 INCOHERENT SCATTERING CROSS SECTION 3.9318E-03 6.6780E-03 1.5742E-03 6.9990E-03 9.9659E-03 1.0201E-02 1.0201E-02 1.0421E-02 1.0646E-02 1.0646E-02 1.1838E-02 1.3118E-02 1.3118E-02 1.4091E-02 1.5126E-02 1.5126E-02 1.5633E-02 1.6592E-02 1.6592E-02 2.1025E-02 2.6135E-02 3.0975E-02 3.9694E-02 4.6994E-02 5.0910E-02 5.0910E-02 5.3133E-02 5.5390E-02 5.5390E-02 5.6186E-02 5.6988E-02 5.6988E-02 6.0873E-02 7.1086E-02 8.4903E-02 9.2829E-02 9.7278E-02 9.9753E-02 1.0132E-01 1.0132E-01 1.0144E-01 1.0101E-01 9.6557E-02 9.1169E-02 8.6096E-02 8.1582E-02 7.7616E-02 7.4125E-02 7.1032E-02 6.8267E-02 6.5774E-02 6.3505E-02 6.1423E-02 5.7743E-02 5.6111E-02 5.4598E-02 5.1855E-02 5.0597E-02 5.0064E-02 4.5334E-02 4.4441E-02 4.2776E-02 4.1261E-02 3.9878E-02 3.7422E-02 3.5277E-02 3.4838E-02 3.3389E-02 3.0275E-02 2.7777E-02 2.3181E-02 2.0026E-02 1.7701E-02 1.5912E-02 1.4484E-02 1.3315E-02 1.2338E-02 1.1507E-02 1.0793E-02 1.0166E-02 9.6181E-03 9.1325E-03 8.6970E-03 7.9483E-03 7.3311E-03 6.8079E-03 6.3630E-03 5.9745E-03 5.6362E-03 5.3354E-03 4.2420E-03 3.5402E-03 3.0499E-03 2.4055E-03 1.9966E-03 1.4217E-03 1.1147E-03 7.9013E-04 6.1876E-04 5.1224E-04 4.3861E-04 3.4243E-04 2.8181E-04 1.9681E-04 1.5232E-04 1.0592E-04 8.1770E-05 6.6857E-05 5.6675E-05 4.3673E-05 3.5653E-05 2.4641E-05 1.8945E-05 1.3064E-05 1.0032E-05 8.1676E-06 6.9050E-06 5.2947E-06 4.3078E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 4.2295E+03 4.1524E+05 1.6829E+04 1.8867E+03 1.0210E+03 9.7748E+02 1.0520E+03 1.6008E+03 2.4343E+03 2.5662E+03 2.4884E+03 2.4133E+03 2.7886E+03 2.3796E+03 2.0308E+03 2.1561E+03 2.0016E+03 1.7576E+03 1.8334E+03 1.0542E+03 6.0998E+02 3.8660E+02 1.8572E+02 1.0430E+02 7.7321E+01 1.9957E+02 1.6651E+02 1.3891E+02 1.9227E+02 1.8188E+02 1.7209E+02 1.9894E+02 1.4991E+02 7.0961E+01 2.4102E+01 1.1053E+01 5.9996E+00 3.6279E+00 1.8779E+00 9.3205E+00 8.2020E+00 4.5616E+00 1.5489E+00 7.1494E-01 3.9414E-01 2.4406E-01 1.6394E-01 1.1698E-01 8.7437E-02 6.7765E-02 5.4065E-02 4.4174E-02 3.6817E-02 2.6821E-02 2.3337E-02 2.0522E-02 1.6294E-02 1.4681E-02 1.4051E-02 9.4771E-03 8.7986E-03 7.6628E-03 6.7546E-03 6.0161E-03 4.8944E-03 4.0885E-03 3.9412E-03 3.4881E-03 2.6686E-03 2.1411E-03 1.4042E-03 1.0304E-03 8.0830E-04 6.6262E-04 5.6017E-04 4.8435E-04 4.2608E-04 3.8034E-04 3.4306E-04 3.1251E-04 2.8682E-04 2.6498E-04 2.4619E-04 2.1555E-04 1.9161E-04 1.7244E-04 1.5674E-04 1.4365E-04 1.3255E-04 1.2303E-04 9.0511E-05 7.1556E-05 5.9181E-05 4.3955E-05 3.4932E-05 2.3109E-05 1.7259E-05 1.1460E-05 8.5780E-06 6.8549E-06 5.7082E-06 4.2765E-06 3.4180E-06 2.2770E-06 1.7071E-06 1.1376E-06 8.5310E-07 6.8235E-07 5.6863E-07 4.2639E-07 3.4118E-07 2.2739E-07 1.7053E-07 1.1366E-07 8.5247E-08 6.8204E-08 5.6832E-08 4.2639E-08 3.4086E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 3.4400E-04 5.3903E-04 1.0313E-03 1.6200E-03 2.2637E-03 3.6133E-03 4.9720E-03 5.2696E-03 6.3089E-03 8.8335E-03 1.1156E-02 1.6241E-02 2.0496E-02 2.4158E-02 2.7385E-02 3.0289E-02 3.2927E-02 3.5371E-02 3.7595E-02 3.9694E-02 4.1637E-02 4.3454E-02 4.5177E-02 4.6743E-02 4.9626E-02 5.2163E-02 5.4482E-02 5.6581E-02 5.8523E-02 6.0278E-02 6.1907E-02 6.8549E-02 7.3499E-02 7.7321E-02 8.2929E-02 8.6908E-02 9.3174E-02 9.6870E-02 1.0119E-01 1.0364E-01 1.0524E-01 1.0639E-01 1.0793E-01 1.0893E-01 1.1034E-01 1.1113E-01 1.1197E-01 1.1241E-01 1.1269E-01 1.1291E-01 1.1316E-01 1.1332E-01 1.1354E-01 1.1366E-01 1.1379E-01 1.1385E-01 1.1391E-01 1.1394E-01 1.1398E-01 1.1398E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.2983E-08 2.7564E-06 9.7058E-06 3.9569E-05 7.8699E-05 1.2065E-04 1.6235E-04 2.0267E-04 2.4117E-04 2.7767E-04 3.1217E-04 3.4462E-04 3.7533E-04 4.0415E-04 4.3172E-04 4.5772E-04 5.0566E-04 5.4920E-04 5.8899E-04 6.2565E-04 6.5917E-04 6.9019E-04 7.1901E-04 8.3775E-04 9.2672E-04 9.9690E-04 1.1015E-03 1.1770E-03 1.3005E-03 1.3769E-03 1.4693E-03 1.5242E-03 1.5615E-03 1.5887E-03 1.6260E-03 1.6507E-03 1.6874E-03 1.7081E-03 1.7306E-03 1.7438E-03 1.7519E-03 1.7576E-03 1.7651E-03 1.7698E-03 1.7761E-03 1.7801E-03 1.7836E-03 1.7858E-03 1.7873E-03 1.7880E-03 1.7889E-03 1.7898E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/atomsf.dict0000644000276300001750000006510613136054446021422 0ustar solebliss00000000000000 [Ru] z = 44 electrons = 44 c = 5.378740, 19.267399, 12.918200, 4.863370, 1.567560 b = 0.808520, 8.434669, 24.799700, 94.292801 [Yb] z = 70 electrons = 70 c = 7.566720, 28.664101, 15.434500, 15.308700, 2.989630 b = 1.988900, 0.257119, 10.664700, 100.417000 [Sm] z = 62 electrons = 62 c = 2.209630, 24.004200, 19.425800, 13.439600, 2.896040 b = 2.472740, 0.196451, 14.399600, 128.007004 [Ni] z = 28 electrons = 28 c = 1.034100, 12.837600, 7.292000, 4.443800, 2.380000 b = 3.878500, 0.256500, 12.176300, 66.342102 [F-1] z = 9 electrons = 10 c = 0.653396, 3.632200, 3.510570, 1.260640, 0.940706 b = 5.277560, 14.735300, 0.442258, 47.343700 [Ni+2] z = 28 electrons = 26 c = 0.861400, 11.416600, 7.400500, 5.344200, 0.977300 b = 3.676600, 0.244900, 8.873000, 22.162600 [Ni+3] z = 28 electrons = 25 c = 0.386044, 10.780600, 7.758680, 5.227460, 0.847114 b = 3.547700, 0.223140, 7.644680, 16.967300 [Ra] z = 88 electrons = 88 c = 13.621099, 35.763000, 22.906399, 12.473900, 3.210970 b = 0.616341, 3.871350, 19.988701, 142.324997 [Rb] z = 37 electrons = 37 c = 3.487300, 17.178400, 9.643499, 5.139900, 1.529200 b = 1.788800, 17.315100, 0.274800, 164.933990 [Sb] z = 51 electrons = 51 c = 4.590900, 19.641800, 19.045500, 5.037100, 2.682700 b = 5.303400, 0.460700, 27.907400, 75.282501 [Rn] z = 86 electrons = 86 c = 13.690500, 35.563099, 21.281601, 8.003700, 7.443300 b = 0.663100, 4.069100, 14.042200, 44.247299 [Rh] z = 45 electrons = 45 c = 5.328000, 19.295700, 14.350100, 4.734250, 1.289180 b = 0.751536, 8.217580, 25.874901, 98.606201 [Mn+4] z = 25 electrons = 21 c = 0.251877, 9.962530, 7.970570, 2.760670, 0.054447 b = 4.848500, 0.283303, 10.485200, 27.573000 [Be] z = 4 electrons = 4 c = 0.038500, 1.591900, 1.127800, 0.539100, 0.702900 b = 43.642700, 1.862300, 103.483002, 0.542000 [Rh+4] z = 45 electrons = 41 c = 11.283500, 18.854500, 13.980600, 2.534640, -5.652600 b = 0.760825, 7.624360, 19.331699, -0.010200 [Rh+3] z = 45 electrons = 42 c = 11.867800, 18.878500, 14.125900, 3.325150, -6.198900 b = 0.764252, 7.844380, 21.248699, -0.010360 [Ba] z = 56 electrons = 56 c = 2.773100, 20.336100, 19.297001, 10.888000, 2.695900 b = 3.216000, 0.275600, 20.207300, 167.201996 [Mn+2] z = 25 electrons = 23 c = 1.087400, 10.806100, 7.362000, 3.526800, 0.218400 b = 5.279600, 0.343500, 14.343000, 41.323502 [Mn+3] z = 25 electrons = 22 c = 0.393974, 9.845210, 7.871940, 3.565310, 0.323613 b = 4.917970, 0.294393, 10.817100, 24.128099 [Sr+2] z = 38 electrons = 36 c = 41.402500, 18.087400, 8.137300, 2.565400, -34.193001 b = 1.490700, 12.696300, 24.565100, -0.013800 [Mo+6] z = 42 electrons = 36 c = 0.344941, 17.887100, 11.175000, 6.578910, 0.000000 b = 1.036490, 8.480610, 0.058881, 0.000000 [Au+3] z = 79 electrons = 76 c = 9.096800, 30.688599, 16.902901, 12.780100, 6.523540 b = 1.219900, 6.828720, 0.212867, 18.659000 [H-1] z = 1 electrons = 2 c = 0.002389, 0.897661, 0.565616, 0.415815, 0.116973 b = 53.136799, 15.187000, 186.575989, 3.567090 [Mo+3] z = 42 electrons = 39 c = -14.421000, 21.166401, 18.201700, 11.742300, 2.309510 b = 0.014734, 1.030310, 9.536590, 26.630699 [Bk] z = 97 electrons = 97 c = 13.275400, 36.788101, 24.773600, 17.891899, 4.232840 b = 0.451018, 3.046190, 12.894600, 86.002998 [O-1] z = 8 electrons = 9 c = 21.941200, 4.191600, 1.639690, 1.526730, -20.306999 b = 12.857300, 4.172360, 47.017899, -0.014040 [Br] z = 35 electrons = 35 c = 2.955700, 17.178900, 5.235800, 5.637700, 3.985100 b = 2.172300, 16.579599, 0.260900, 41.432800 [Mg+2] z = 12 electrons = 10 c = 0.485300, 3.498800, 3.837800, 1.328400, 0.849700 b = 2.167600, 4.754200, 0.185000, 10.141100 [Ce+3] z = 58 electrons = 55 c = 2.090130, 20.803600, 19.559000, 11.936900, 0.612376 b = 2.776910, 0.231540, 16.540800, 43.169201 [Ra+2] z = 88 electrons = 86 c = 13.543100, 35.215000, 21.670000, 7.913420, 7.650780 b = 0.604909, 3.576700, 12.601000, 29.843599 [V+2] z = 23 electrons = 21 c = 1.229800, 10.106000, 7.354100, 2.288400, 0.022300 b = 6.881800, 0.440900, 20.300400, 115.122002 [Ho] z = 67 electrons = 67 c = 4.567960, 26.904900, 17.293999, 14.558300, 3.638370 b = 2.070510, 0.197940, 11.440700, 92.656601 [Al+3] z = 13 electrons = 10 c = 0.706786, 4.174480, 3.387600, 1.202960, 0.528137 b = 1.938160, 4.145530, 0.228753, 8.285240 [H] z = 1 electrons = 1 c = 0.003038, 0.493002, 0.322912, 0.140191, 0.040810 b = 10.510900, 26.125700, 3.142360, 57.799698 [Ti+2] z = 22 electrons = 20 c = 0.897155, 9.114230, 7.621740, 2.279300, 0.087899 b = 7.524300, 0.457585, 19.536100, 61.655800 [Ti+3] z = 22 electrons = 19 c = -14.652000, 17.734400, 8.738160, 5.256910, 1.921340 b = 0.220610, 7.047160, -0.157620, 15.976800 [Ti+4] z = 22 electrons = 18 c = -13.280000, 19.511400, 8.234730, 2.013410, 1.520800 b = 0.178847, 6.670180, -0.292630, 12.946400 [Ne] z = 10 electrons = 10 c = 0.351500, 3.955300, 3.112500, 1.454600, 1.125100 b = 8.404200, 3.426200, 0.230600, 21.718399 [Li+1] z = 3 electrons = 3 c = 0.016700, 0.696800, 0.788800, 0.341400, 0.156300 b = 4.623700, 1.955700, 0.631600, 10.095300 [Ag+2] z = 47 electrons = 45 c = 5.214040, 19.164299, 16.245600, 4.370900, 0.000000 b = 0.645643, 7.185440, 21.407200, 0.000000 [Zn+2] z = 30 electrons = 28 c = 0.780700, 11.971900, 7.386200, 6.466800, 1.394000 b = 2.994600, 0.203100, 7.082600, 18.099499 [Os] z = 76 electrons = 76 c = 11.000500, 28.189400, 16.154999, 14.930500, 5.675890 b = 1.629030, 8.979480, 0.382661, 48.164700 [Si+4] z = 14 electrons = 10 c = 0.746297, 4.439180, 3.203450, 1.194530, 0.416530 b = 1.641670, 3.437570, 0.214900, 6.653650 [Os+4] z = 76 electrons = 72 c = 6.498040, 30.418999, 15.263700, 14.745800, 5.067950 b = 1.371130, 6.847060, 0.165191, 18.003000 [Br-1] z = 35 electrons = 36 c = 3.177600, 17.171799, 6.333800, 5.575400, 3.727200 b = 2.205900, 19.334499, 0.287100, 58.153500 [Re] z = 75 electrons = 75 c = 10.472000, 28.762100, 15.718900, 14.556400, 5.441740 b = 1.671910, 9.092270, 0.350500, 52.086098 [Nb+5] z = 41 electrons = 36 c = -6.393400, 17.916300, 13.341700, 10.799000, 0.337905 b = 1.124460, 0.028781, 9.282060, 25.722799 [Dy+3] z = 66 electrons = 63 c = 0.689690, 25.539499, 20.286100, 11.981200, 4.500730 b = 1.980400, 0.143384, 9.349720, 19.580999 [Nb+3] z = 41 electrons = 38 c = -12.912000, 19.881199, 18.065300, 11.017700, 1.947150 b = 0.019175, 1.133050, 10.162100, 28.338900 [Ge] z = 32 electrons = 32 c = 2.131300, 16.081600, 6.374700, 3.706800, 3.683000 b = 2.850900, 0.251600, 11.446800, 54.762501 [Cl-1] z = 17 electrons = 18 c = -16.378000, 18.291500, 7.208400, 6.533700, 2.338600 b = 0.006600, 1.171700, 19.542400, 60.448601 [Ga] z = 31 electrons = 31 c = 1.718900, 15.235400, 6.700600, 4.359100, 2.962300 b = 3.066900, 0.241200, 10.780500, 61.413498 [Lu+3] z = 71 electrons = 68 c = 2.975730, 28.462799, 18.121000, 12.842899, 5.594150 b = 1.682160, 0.142292, 7.337270, 16.353500 [Pr] z = 59 electrons = 59 c = 2.058300, 22.043999, 19.669701, 12.385600, 2.824280 b = 2.773930, 0.222087, 16.766899, 143.643997 [Pm+3] z = 61 electrons = 58 c = 1.194990, 22.552700, 20.110800, 12.067100, 2.074920 b = 2.417400, 0.185769, 13.127500, 27.449100 [Y] z = 39 electrons = 39 c = 1.912130, 17.775999, 10.294600, 5.726290, 3.265880 b = 1.402900, 12.800600, 0.125599, 104.353996 [Bi+3] z = 83 electrons = 80 c = 12.471100, 21.805300, 19.502600, 19.105301, 7.102950 b = 1.235600, 6.241490, 0.469999, 20.318501 [Pt] z = 78 electrons = 78 c = 11.688300, 27.005899, 17.763901, 15.713100, 5.783700 b = 1.512930, 8.811740, 0.424593, 38.610298 [Pu] z = 94 electrons = 94 c = 13.381200, 36.525398, 23.808300, 16.770700, 3.479470 b = 0.499384, 3.263710, 14.945499, 105.979996 [U+6] z = 92 electrons = 86 c = 13.166500, 34.850899, 22.758400, 14.009900, 1.214570 b = 0.507079, 2.890300, 13.176700, 25.201700 [U+4] z = 92 electrons = 88 c = 13.267099, 35.371498, 22.532600, 12.029100, 4.798400 b = 0.516598, 3.050530, 12.572300, 23.458200 [U+3] z = 92 electrons = 89 c = 13.309200, 35.574699, 22.525900, 12.216499, 5.370730 b = 0.520480, 3.122930, 12.714800, 26.339399 [Mg] z = 12 electrons = 12 c = 0.858400, 5.420400, 2.173500, 1.226900, 2.307300 b = 2.827500, 79.261101, 0.380800, 7.193700 [Zr+4] z = 40 electrons = 36 c = 9.414539, 18.166800, 10.056200, 1.011180, -2.647900 b = 1.214800, 10.148300, 21.605400, -0.102760 [I-1] z = 53 electrons = 54 c = 4.071400, 20.233200, 18.997000, 7.806900, 2.886800 b = 4.357900, 0.381500, 29.525900, 84.930397 [Sc+3] z = 21 electrons = 18 c = -6.666700, 14.400800, 8.027300, 1.659430, 1.579360 b = 0.298540, 7.962900, -0.286040, 16.066200 [Pa] z = 91 electrons = 91 c = 13.428699, 35.884701, 23.294800, 14.189100, 4.172870 b = 0.547751, 3.415190, 16.923500, 105.250999 [Pd] z = 46 electrons = 46 c = 5.265930, 19.331900, 15.501699, 5.295370, 0.605844 b = 0.698655, 7.989290, 25.205200, 76.898598 [Cd] z = 48 electrons = 48 c = 5.069400, 19.221399, 17.644400, 4.461000, 1.602900 b = 0.594600, 6.908900, 24.700800, 87.482498 [Po] z = 84 electrons = 84 c = 13.677000, 34.672600, 15.473300, 13.113800, 7.025880 b = 0.700999, 3.550780, 9.556419, 47.004501 [Pm] z = 61 electrons = 61 c = 2.028760, 23.340500, 19.609501, 13.123500, 2.875160 b = 2.562700, 0.202088, 15.100900, 132.720993 [Tl+1] z = 81 electrons = 80 c = 12.525800, 21.398500, 20.472300, 18.747799, 6.828470 b = 1.471100, 0.517394, 7.434630, 28.848200 [Tl+3] z = 81 electrons = 78 c = 9.802700, 30.869499, 18.384100, 11.932800, 7.005740 b = 1.100800, 6.538520, 0.219074, 17.211399 [In+3] z = 49 electrons = 46 c = 4.996350, 19.104500, 18.110800, 3.788970, 0.000000 b = 0.551522, 6.324700, 17.359501, 0.000000 [Sm+3] z = 62 electrons = 58 c = 0.954586, 23.150400, 20.259899, 11.920200, 2.714880 b = 2.316410, 0.174081, 12.157100, 24.824200 [Gd] z = 64 electrons = 64 c = 2.419600, 25.070900, 19.079800, 13.851800, 3.545450 b = 2.253410, 0.181951, 12.933100, 101.397995 [La+3] z = 57 electrons = 54 c = 2.408600, 20.248899, 19.376301, 11.632299, 0.336048 b = 2.920700, 0.250698, 17.821100, 54.945297 [Th+4] z = 90 electrons = 86 c = 13.375999, 35.100700, 22.441799, 9.785540, 5.294440 b = 0.555054, 3.244980, 13.466100, 23.953300 [Gd+3] z = 64 electrons = 61 c = 0.645089, 24.346600, 20.420799, 11.870800, 3.714900 b = 2.135530, 0.155525, 10.578199, 21.702900 [Hf] z = 72 electrons = 72 c = 8.581540, 29.143999, 15.172600, 14.758600, 4.300130 b = 1.832620, 9.599899, 0.275116, 72.028999 [Hg] z = 80 electrons = 80 c = 12.608900, 20.680901, 19.041700, 21.657499, 5.967600 b = 0.545000, 8.448400, 1.572900, 38.324600 [Tm+3] z = 69 electrons = 66 c = 1.639290, 27.308300, 19.332001, 12.333900, 5.383480 b = 1.787110, 0.136974, 7.967780, 17.292200 [C] z = 6 electrons = 6 c = 0.215600, 2.310000, 1.020000, 1.588600, 0.865000 b = 20.843899, 10.207500, 0.568700, 51.651199 [Hf+4] z = 72 electrons = 68 c = 2.396990, 28.813099, 18.460100, 12.728500, 5.599270 b = 1.591360, 0.128903, 6.762320, 14.036600 [K] z = 19 electrons = 19 c = 1.422800, 8.218599, 7.439800, 1.051900, 0.865900 b = 12.794900, 0.774800, 213.186996, 41.684097 [Mn] z = 25 electrons = 25 c = 1.089600, 11.281900, 7.357300, 3.019300, 2.244100 b = 5.340900, 0.343200, 17.867399, 83.754303 [O] z = 8 electrons = 8 c = 0.250800, 3.048500, 2.286800, 1.546300, 0.867000 b = 13.277100, 5.701100, 0.323900, 32.908897 [Ca+2] z = 20 electrons = 18 c = -14.875000, 15.634800, 7.951800, 8.437200, 0.853700 b = -0.007400, 0.608900, 10.311600, 25.990499 [S] z = 16 electrons = 16 c = 0.866900, 6.905300, 5.203400, 1.437900, 1.586300 b = 1.467900, 22.215099, 0.253600, 56.172001 [W] z = 74 electrons = 74 c = 9.887500, 29.081800, 15.430000, 14.432700, 5.119820 b = 1.720290, 9.225900, 0.321703, 57.056000 [Np+3] z = 93 electrons = 90 c = 13.254400, 35.707397, 22.612999, 12.989799, 5.432270 b = 0.502322, 3.038070, 12.144899, 25.492800 [Ho+3] z = 67 electrons = 64 c = 0.852795, 26.129601, 20.099400, 11.978800, 4.936760 b = 1.910720, 0.139358, 8.800180, 18.590799 [Np+4] z = 93 electrons = 89 c = 13.211599, 35.510300, 22.578699, 12.776600, 4.921590 b = 0.498626, 2.966270, 11.948400, 22.750200 [Zn] z = 30 electrons = 30 c = 1.304100, 14.074300, 7.031800, 5.162500, 2.410000 b = 3.265500, 0.233300, 10.316299, 58.709702 [Mo+5] z = 42 electrons = 37 c = -14.316000, 21.014900, 18.099199, 11.463200, 0.740625 b = 0.014345, 1.022380, 8.788090, 23.345200 [Eu] z = 63 electrons = 63 c = 2.574500, 24.627399, 19.088600, 13.760300, 2.922700 b = 2.387900, 0.194200, 13.754600, 123.173996 [Zr] z = 40 electrons = 40 c = 2.069290, 17.876499, 10.948000, 5.417320, 3.657210 b = 1.276180, 11.916000, 0.117622, 87.662697 [Er] z = 68 electrons = 68 c = 5.920460, 27.656300, 16.428499, 14.977900, 2.982330 b = 2.073560, 0.223545, 11.360400, 105.703003 [Ge+4] z = 32 electrons = 28 c = 1.455720, 12.917200, 6.700030, 6.067910, 0.859041 b = 2.537180, 0.205855, 5.479130, 11.603000 [Yb+2] z = 70 electrons = 68 c = 3.709830, 28.120899, 17.681700, 13.333500, 5.146570 b = 1.785030, 0.159970, 8.183040, 20.389999 [Yb+3] z = 70 electrons = 67 c = 2.260010, 27.891701, 18.761400, 12.607200, 5.476470 b = 1.732720, 0.138790, 7.644120, 16.814301 [Na] z = 11 electrons = 11 c = 0.676000, 4.762600, 3.173600, 1.267400, 1.112800 b = 3.285000, 8.842199, 0.313600, 129.423996 [Nb] z = 41 electrons = 41 c = 3.755910, 17.614201, 12.014400, 4.041830, 3.533460 b = 1.188650, 11.766000, 0.204785, 69.795700 [V+3] z = 23 electrons = 19 c = 0.656565, 9.431410, 7.741900, 2.153430, 0.016865 b = 6.395350, 0.383349, 15.190800, 63.969002 [Nd] z = 60 electrons = 60 c = 1.984860, 22.684500, 19.684700, 12.774000, 2.851370 b = 2.662480, 0.210628, 15.885000, 137.903000 [V+5] z = 23 electrons = 18 c = 1.714300, 15.688700, 8.142080, 2.030810, -9.576000 b = 0.679003, 5.401350, 9.972780, 0.940464 [Bi] z = 83 electrons = 83 c = 13.578199, 33.368900, 12.951000, 16.587700, 6.469200 b = 0.704000, 2.923800, 8.793700, 48.009300 [Ru+3] z = 44 electrons = 41 c = -3.189200, 18.563801, 13.288500, 9.326019, 3.009640 b = 0.847329, 8.371640, 0.017662, 22.886999 [Ga+3] z = 31 electrons = 28 c = 1.535450, 12.691999, 6.698830, 6.066920, 1.006600 b = 2.812620, 0.227890, 6.364410, 14.412200 [Bi+5] z = 83 electrons = 78 c = -6.799400, 33.536400, 25.094601, 19.249699, 6.915550 b = 0.916540, 0.390420, 5.714140, 12.828500 [Au+1] z = 79 electrons = 78 c = 11.229900, 28.010899, 17.820400, 14.335899, 6.580770 b = 1.353210, 7.739500, 0.356752, 26.404301 [Ru+4] z = 44 electrons = 40 c = 1.423570, 18.500299, 13.178699, 4.713040, 2.185350 b = 0.844582, 8.125340, 0.364950, 20.850399 [Np] z = 93 electrons = 93 c = 13.357300, 36.187401, 23.596399, 15.640200, 4.185500 b = 0.511929, 3.253960, 15.362200, 97.490799 [Pt+4] z = 78 electrons = 74 c = 7.395340, 30.961201, 15.982900, 13.734800, 5.920340 b = 1.248130, 6.608340, 0.168640, 16.939199 [Fr] z = 87 electrons = 87 c = 13.724700, 35.929901, 23.054699, 12.143900, 2.112530 b = 0.646453, 4.176190, 23.105200, 150.644989 [Cd+2] z = 48 electrons = 46 c = 5.119370, 19.151400, 17.253500, 4.471280, 0.000000 b = 0.597922, 6.806390, 20.252100, 0.000000 [Np+6] z = 93 electrons = 87 c = 13.113000, 35.013599, 22.728600, 14.388400, 1.756690 b = 0.489810, 2.810990, 12.330000, 22.658100 [Rb+1] z = 37 electrons = 36 c = 2.078200, 17.581600, 7.659800, 5.898100, 2.781700 b = 1.713900, 14.795700, 0.160300, 31.208700 [Hg+2] z = 80 electrons = 78 c = 10.626800, 29.564100, 18.059999, 12.837400, 6.899120 b = 1.211520, 7.056390, 0.284738, 20.748199 [Fe] z = 26 electrons = 26 c = 1.036900, 11.769500, 7.357300, 3.522200, 2.304500 b = 4.761100, 0.307200, 15.353500, 76.880501 [Hg+1] z = 80 electrons = 79 c = 12.020500, 25.085300, 18.497299, 16.888300, 6.482160 b = 1.395070, 7.651050, 0.443378, 28.226200 [Eu+3] z = 63 electrons = 60 c = 0.759344, 23.749699, 20.374500, 11.850900, 3.265030 b = 2.222580, 0.163940, 11.311000, 22.996599 [Eu+2] z = 63 electrons = 61 c = 1.363890, 24.006300, 19.950399, 11.803400, 3.872430 b = 2.277830, 0.173530, 11.609600, 26.515600 [Co+3] z = 27 electrons = 24 c = 0.286667, 10.337999, 7.881730, 4.767950, 0.725591 b = 3.909690, 0.238668, 8.355830, 18.349100 [Co+2] z = 27 electrons = 25 c = 0.932400, 11.229600, 7.388300, 4.739300, 0.710800 b = 4.123100, 0.272600, 10.244300, 25.646599 [Ir+4] z = 77 electrons = 73 c = 6.968240, 30.705799, 15.551200, 14.232600, 5.536720 b = 1.309230, 6.719830, 0.167252, 17.491100 [B] z = 5 electrons = 5 c = -0.193200, 2.054500, 1.332600, 1.097900, 0.706800 b = 23.218500, 1.021000, 60.349800, 0.140300 [Ir+3] z = 77 electrons = 74 c = 8.279030, 30.415600, 15.862000, 13.614500, 5.820080 b = 1.343230, 7.109090, 0.204633, 20.325399 [Sr] z = 38 electrons = 38 c = 2.506400, 17.566299, 9.818399, 5.422000, 2.669400 b = 1.556400, 14.098800, 0.166400, 132.376007 [Ce+4] z = 58 electrons = 54 c = 1.591800, 20.323500, 19.818600, 12.123300, 0.144583 b = 2.659410, 0.218850, 15.799200, 62.235500 [N] z = 7 electrons = 7 c = -11.528999, 12.212600, 3.132200, 2.012500, 1.166300 b = 0.005700, 9.893300, 28.997499, 0.582600 [Kr] z = 36 electrons = 36 c = 2.825000, 17.355499, 6.728600, 5.549300, 3.537500 b = 1.938400, 16.562300, 0.226100, 39.397202 [Si] z = 14 electrons = 14 c = 1.140700, 6.291500, 3.035300, 1.989100, 1.541000 b = 2.438600, 32.333698, 0.678500, 81.693695 [Sn] z = 50 electrons = 50 c = 4.782100, 19.188900, 19.100500, 4.458500, 2.466300 b = 5.830300, 0.503100, 26.890900, 83.957100 [Ac+3] z = 89 electrons = 86 c = 13.463699, 35.173599, 22.111200, 8.192160, 7.055450 b = 0.579689, 3.414370, 12.918700, 25.944300 [V] z = 23 electrons = 23 c = 1.219900, 10.297100, 7.351100, 2.070300, 2.057100 b = 6.865700, 0.438500, 26.893799, 102.477997 [Sc] z = 21 electrons = 21 c = 1.332900, 9.189000, 7.367900, 1.640900, 1.468000 b = 9.021299, 0.572900, 136.108002, 51.353100 [Sb+3] z = 51 electrons = 48 c = 4.696260, 18.975500, 18.932999, 5.107890, 0.288753 b = 0.467196, 5.221260, 19.590200, 55.511299 [Fe+2] z = 26 electrons = 24 c = 1.009700, 11.042400, 7.374000, 4.134600, 0.439900 b = 4.653800, 0.305300, 12.054600, 31.280899 [Fe+3] z = 26 electrons = 23 c = 0.970700, 11.176400, 7.386300, 3.394800, 0.072400 b = 4.614700, 0.300500, 11.672900, 38.556599 [Se] z = 34 electrons = 34 c = 2.840900, 17.000599, 5.819600, 3.973100, 4.354300 b = 2.409800, 0.272600, 15.237200, 43.816299 [Sb+5] z = 51 electrons = 46 c = 4.692630, 19.868500, 19.030199, 2.412530, 0.000000 b = 5.448530, 0.467973, 14.125900, 0.000000 [Ag+1] z = 47 electrons = 46 c = 5.215720, 19.181200, 15.971900, 5.274750, 0.357534 b = 0.646179, 7.191230, 21.732599, 66.114700 [Pb] z = 82 electrons = 82 c = 13.411800, 31.061699, 13.063700, 18.441999, 5.969600 b = 0.690200, 2.357600, 8.618000, 47.257900 [Er+3] z = 68 electrons = 65 c = 1.176130, 26.722000, 19.774799, 12.150600, 5.173790 b = 1.846590, 0.137290, 8.362249, 17.897400 [Co] z = 27 electrons = 27 c = 1.011800, 12.284100, 7.340900, 4.003400, 2.348800 b = 4.279100, 0.278400, 13.535900, 71.169197 [Cm] z = 96 electrons = 96 c = 13.288700, 36.648800, 24.409599, 17.399000, 4.216650 b = 0.465154, 3.089970, 13.434600, 88.483398 [Cl] z = 17 electrons = 17 c = -9.557400, 11.460400, 7.196400, 6.255600, 1.645500 b = 0.010400, 1.166200, 18.519400, 47.778400 [Ca] z = 20 electrons = 20 c = 1.375100, 8.626600, 7.387300, 1.589900, 1.021100 b = 10.442100, 0.659900, 85.748398, 178.436996 [Cf] z = 98 electrons = 98 c = 13.267400, 36.918499, 25.199499, 18.331699, 4.243910 b = 0.437533, 3.007750, 12.404400, 83.788101 [Ce] z = 58 electrons = 58 c = 1.862640, 21.167099, 19.769501, 11.851299, 3.330490 b = 2.812190, 0.226836, 17.608299, 127.112999 [Xe] z = 54 electrons = 54 c = 3.711800, 20.293301, 19.029800, 8.976700, 1.990000 b = 3.928200, 0.344000, 26.465900, 64.265800 [Tm] z = 69 electrons = 69 c = 6.756210, 28.181900, 15.885099, 15.154200, 2.987060 b = 2.028590, 0.238849, 10.997499, 102.960999 [Cs] z = 55 electrons = 55 c = 3.335200, 20.389200, 19.106199, 10.662000, 1.495300 b = 3.569000, 0.310700, 24.387899, 213.903992 [Cr] z = 24 electrons = 24 c = 1.183200, 10.640600, 7.353700, 3.324000, 1.492200 b = 6.103800, 0.392000, 20.262600, 98.739899 [Sn+4] z = 50 electrons = 46 c = 3.918200, 18.933300, 19.713100, 3.418200, 0.019300 b = 5.764000, 0.465500, 14.004900, -0.758300 [Sn+2] z = 50 electrons = 48 c = 4.786100, 19.109400, 19.054800, 4.564800, 0.487000 b = 0.503600, 5.837800, 23.375200, 62.206100 [Cv] z = 6 electrons = 6 c = 0.286977, 2.260690, 1.561650, 1.050750, 0.839259 b = 22.690701, 0.656665, 9.756180, 55.594898 [Cu] z = 29 electrons = 29 c = 1.191000, 13.337999, 7.167600, 5.615800, 1.673500 b = 3.582800, 0.247000, 11.396600, 64.812599 [Pt+2] z = 78 electrons = 76 c = 9.853290, 29.842899, 16.722401, 13.215300, 6.352340 b = 1.329270, 7.389790, 0.263297, 22.942600 [Ta+5] z = 73 electrons = 68 c = 1.785550, 29.158699, 18.840700, 12.826799, 5.386950 b = 1.507110, 0.116741, 6.315240, 12.424400 [La] z = 57 electrons = 57 c = 2.146780, 20.577999, 19.598999, 11.372700, 3.287190 b = 2.948170, 0.244475, 18.772600, 133.123993 [Ba+2] z = 56 electrons = 54 c = 3.029020, 20.180700, 19.113600, 10.905399, 0.776340 b = 3.213670, 0.283310, 20.055799, 51.745998 [Li] z = 3 electrons = 3 c = 0.037700, 1.128200, 0.750800, 0.617500, 0.465300 b = 3.954600, 1.052400, 85.390503, 168.261002 [Y+3] z = 39 electrons = 36 c = 40.260201, 17.926800, 9.153100, 1.767950, -33.108002 b = 1.354170, 11.214500, 22.659901, -0.013190 [Tl] z = 81 electrons = 81 c = 13.174600, 27.544600, 19.158400, 15.538000, 5.525930 b = 0.655150, 8.707510, 1.963470, 45.814899 [Lu] z = 71 electrons = 71 c = 7.976280, 28.947599, 15.220800, 15.100000, 3.716010 b = 1.901820, 9.985189, 0.261033, 84.329803 [Th] z = 90 electrons = 90 c = 13.431400, 35.564499, 23.421900, 12.747300, 4.807030 b = 0.563359, 3.462040, 17.830900, 99.172195 [Ti] z = 22 electrons = 22 c = 1.280700, 9.759500, 7.355800, 1.699100, 1.902100 b = 7.850800, 0.500000, 35.633801, 116.104996 [Pu+3] z = 94 electrons = 91 c = 13.199100, 35.840000, 22.716900, 13.580700, 5.660160 b = 0.484936, 2.961180, 11.533100, 24.399200 [Tb] z = 65 electrons = 65 c = 3.582240, 25.897600, 18.218500, 14.316700, 2.953540 b = 2.242560, 0.196143, 12.664800, 115.362000 [He] z = 2 electrons = 2 c = 0.006400, 0.873400, 0.630900, 0.311200, 0.178000 b = 9.103700, 3.356800, 22.927601, 0.982100 [Pu+6] z = 94 electrons = 88 c = 13.058200, 35.173599, 22.718100, 14.763500, 2.286780 b = 0.473204, 2.738480, 11.552999, 20.930300 [Ta] z = 73 electrons = 73 c = 9.243540, 29.202400, 15.229300, 14.513500, 4.764920 b = 1.773330, 9.370460, 0.295977, 63.364399 [Pb+2] z = 82 electrons = 80 c = 12.473400, 21.788601, 19.568199, 19.140600, 7.011070 b = 1.336600, 0.488383, 6.772700, 23.813200 [Te] z = 52 electrons = 52 c = 4.352000, 19.964399, 19.013800, 6.144870, 2.523900 b = 4.817420, 0.420885, 28.528400, 70.840302 [Tb+3] z = 65 electrons = 62 c = 0.691967, 24.955900, 20.327099, 12.247100, 3.773000 b = 2.056010, 0.149525, 10.049900, 21.277300 [Pb+4] z = 82 electrons = 78 c = 8.084280, 32.124397, 18.800301, 12.017500, 6.968860 b = 1.005660, 6.109260, 0.147041, 14.714000 [Pu+4] z = 94 electrons = 90 c = 13.155500, 35.649300, 22.646000, 13.359500, 5.188310 b = 0.481422, 2.890200, 11.316000, 21.830099 [F] z = 9 electrons = 9 c = 0.277600, 3.539200, 2.641200, 1.517000, 1.024300 b = 10.282499, 4.294400, 0.261500, 26.147600 [K+1] z = 19 electrons = 18 c = -4.997800, 7.957800, 7.491700, 6.359000, 1.191500 b = 12.633100, 0.767400, -0.002000, 31.912800 [Tc] z = 43 electrons = 43 c = 5.404280, 19.130100, 11.094800, 4.649010, 2.712630 b = 0.864132, 8.144870, 21.570700, 86.847198 [Be+2] z = 4 electrons = 2 c = -6.109200, 6.260300, 0.884900, 0.799300, 0.164700 b = 0.002700, 0.831300, 2.275800, 5.114600 [Pd+2] z = 46 electrons = 44 c = 5.291600, 19.170099, 15.209600, 4.322340, 0.000000 b = 0.696219, 7.555730, 22.505699, 0.000000 [Pd+4] z = 46 electrons = 42 c = 13.017400, 19.249300, 14.790000, 2.892890, -7.949200 b = 0.683839, 7.148330, 17.914400, 0.005127 [Dy] z = 66 electrons = 66 c = 4.297280, 26.507000, 17.638300, 14.559600, 2.965770 b = 2.180200, 0.202172, 12.189899, 111.874001 [Nd+3] z = 60 electrons = 57 c = 1.475880, 21.961000, 19.933899, 12.120000, 1.510310 b = 2.527220, 0.199237, 14.178300, 30.871700 [Cs+1] z = 55 electrons = 54 c = 3.279100, 20.352400, 19.127800, 10.282100, 0.961500 b = 3.552000, 0.308600, 23.712799, 59.456497 [Na+1] z = 11 electrons = 10 c = 0.404000, 3.256500, 3.936200, 1.399800, 1.003200 b = 2.667100, 6.115300, 0.200100, 14.039000 [I] z = 53 electrons = 53 c = 4.071200, 20.147200, 18.994900, 7.513800, 2.273500 b = 4.347000, 0.381400, 27.765999, 66.877602 [In] z = 49 electrons = 49 c = 4.939100, 19.162399, 18.559601, 4.294800, 2.039600 b = 0.547600, 6.377600, 25.849899, 92.802902 [Cr+2] z = 24 electrons = 22 c = 0.616898, 9.540340, 7.750900, 3.582740, 0.509107 b = 5.660780, 0.344261, 13.307500, 32.422401 [U] z = 92 electrons = 92 c = 13.396600, 36.022800, 23.412800, 14.949100, 4.188000 b = 0.529300, 3.325300, 16.092699, 100.612999 [Siv] z = 14 electrons = 14 c = 1.247070, 5.662690, 3.071640, 2.624460, 1.393200 b = 2.665200, 38.663399, 0.916946, 93.545799 [Ac] z = 89 electrons = 89 c = 13.526600, 35.659698, 23.103199, 12.597700, 4.086550 b = 0.589092, 3.651550, 18.598999, 117.019997 [Ag] z = 47 electrons = 47 c = 5.179000, 19.280800, 16.688499, 4.804500, 1.046300 b = 0.644600, 7.472600, 24.660500, 99.815598 [P] z = 15 electrons = 15 c = 1.114900, 6.434500, 4.179100, 1.780000, 1.490800 b = 1.906700, 27.157000, 0.526000, 68.164497 [Cu+1] z = 29 electrons = 28 c = 0.890000, 11.947500, 7.357300, 6.245500, 1.557800 b = 3.366900, 0.227400, 8.662500, 25.848700 [Ir] z = 77 electrons = 77 c = 11.472200, 27.304899, 16.729599, 15.611500, 5.833770 b = 1.592790, 8.865530, 0.417916, 45.001099 [Am] z = 95 electrons = 95 c = 13.359200, 36.670601, 24.099199, 17.341499, 3.493310 b = 0.483629, 3.206470, 14.313600, 102.272995 [Al] z = 13 electrons = 13 c = 1.115100, 6.420200, 1.900200, 1.593600, 1.964600 b = 3.038700, 0.742600, 31.547199, 85.088600 [Cu+2] z = 29 electrons = 27 c = 1.144310, 11.816800, 7.111810, 5.781350, 1.145230 b = 3.374840, 0.244078, 7.987600, 19.896999 [Pr+3] z = 59 electrons = 56 c = 1.771320, 21.372700, 19.749100, 12.132900, 0.975180 b = 2.645200, 0.214299, 15.323000, 36.406502 [As] z = 33 electrons = 33 c = 2.531000, 16.672300, 6.070100, 3.431300, 4.277900 b = 2.634500, 0.264700, 12.947900, 47.797199 [Ar] z = 18 electrons = 18 c = 1.444500, 7.484500, 6.772300, 0.653900, 1.644200 b = 0.907200, 14.840700, 43.898300, 33.392899 [Au] z = 79 electrons = 79 c = 12.065800, 16.881901, 18.591299, 25.558201, 5.860000 b = 0.461100, 8.621600, 1.482600, 36.395599 [At] z = 85 electrons = 85 c = 13.710800, 35.316299, 19.021099, 9.498870, 7.425180 b = 0.685870, 3.974580, 11.382400, 45.471500 [Pr+4] z = 59 electrons = 55 c = 1.242850, 20.941299, 20.053900, 12.466800, 0.296689 b = 2.544670, 0.202481, 14.813700, 45.464298 [Mo] z = 42 electrons = 42 c = 4.387500, 3.702500, 17.235600, 12.887600, 3.742900 b = 0.277200, 1.095800, 11.004000, 61.658401 [Cr+3] z = 24 electrons = 21 c = 0.518275, 9.680900, 7.811360, 2.876030, 0.113575 b = 5.594630, 0.334393, 12.828800, 32.876099 [W+6] z = 74 electrons = 68 c = 1.010740, 29.493599, 19.376301, 13.054399, 5.064120 b = 1.427550, 0.104621, 5.936670, 11.197200 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Eu.mat0000644000276300001750000002174213136054446020336 0ustar solebliss00000000000000Eu 1 63 1.000000 10 4 3 3 3 3 7 3 3 7 82 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.1309E-03 1.1309E-03 1.1457E-03 1.1606E-03 1.1606E-03 1.3109E-03 1.4806E-03 1.4806E-03 1.5000E-03 1.6139E-03 1.6139E-03 1.7044E-03 1.8000E-03 1.8000E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 6.9769E-03 6.9769E-03 7.2900E-03 7.6171E-03 7.6171E-03 8.0000E-03 8.0520E-03 8.0520E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 4.8519E-02 4.8519E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 9.8952E+00 1.2980E+04 1.2789E+01 9.7684E+00 9.7684E+00 9.7527E+00 9.7367E+00 9.7367E+00 9.5884E+00 9.4236E+00 9.4236E+00 9.4038E+00 9.2849E+00 9.2849E+00 9.1962E+00 9.1027E+00 9.1027E+00 8.8926E+00 7.8821E+00 6.9429E+00 6.1186E+00 5.4212E+00 4.8386E+00 4.8386E+00 4.6713E+00 4.5058E+00 4.5058E+00 4.3235E+00 4.2997E+00 4.2997E+00 3.5190E+00 2.2838E+00 1.6343E+00 9.5940E-01 6.2454E-01 4.6405E-01 4.6405E-01 4.4265E-01 3.3268E-01 2.0765E-01 1.4131E-01 6.8835E-02 4.0936E-02 2.7132E-02 1.9279E-02 1.4391E-02 1.1147E-02 8.8879E-03 7.2520E-03 6.0298E-03 5.0923E-03 4.3570E-03 3.2933E-03 2.9016E-03 2.5756E-03 2.0692E-03 1.8705E-03 1.7920E-03 1.2035E-03 1.1136E-03 9.6138E-04 8.3814E-04 7.3687E-04 5.8249E-04 4.7277E-04 4.5295E-04 3.9169E-04 2.8067E-04 2.1070E-04 1.1865E-04 7.5968E-05 5.2745E-05 3.8769E-05 2.9686E-05 2.3456E-05 1.9002E-05 1.5705E-05 1.3196E-05 1.1243E-05 9.6931E-06 8.4448E-06 7.4224E-06 5.8650E-06 4.7515E-06 3.9264E-06 3.2991E-06 2.8112E-06 2.4237E-06 2.1114E-06 1.1877E-06 7.6007E-07 5.2785E-07 2.9694E-07 1.9002E-07 8.4448E-08 4.7515E-08 2.1114E-08 1.1877E-08 7.6007E-09 5.2785E-09 2.9690E-09 1.9002E-09 8.4448E-10 4.7515E-10 2.1114E-10 1.1877E-10 7.6007E-11 5.2785E-11 2.9690E-11 1.9002E-11 8.4448E-12 4.7515E-12 2.1114E-12 1.1877E-12 7.6007E-13 5.2785E-13 2.9690E-13 1.9002E-13 INCOHERENT SCATTERING CROSS SECTION 5.8095E-03 3.1069E+03 3.6467E-03 6.8082E-03 6.8082E-03 6.9188E-03 7.0301E-03 7.0301E-03 8.1244E-03 9.3523E-03 9.3523E-03 9.4950E-03 1.0331E-02 1.0331E-02 1.0983E-02 1.1667E-02 1.1667E-02 1.3109E-02 2.0151E-02 2.6674E-02 3.2626E-02 3.7960E-02 4.2640E-02 4.2640E-02 4.4059E-02 4.5454E-02 4.5454E-02 4.7039E-02 4.7277E-02 4.7277E-02 5.4727E-02 6.9944E-02 8.1040E-02 9.4435E-02 1.0149E-01 1.0490E-01 1.0490E-01 1.0533E-01 1.0731E-01 1.0830E-01 1.0727E-01 1.0165E-01 9.5505E-02 8.9963E-02 8.5122E-02 8.0903E-02 7.7196E-02 7.3910E-02 7.0975E-02 6.8335E-02 6.5942E-02 6.3758E-02 5.9915E-02 5.8214E-02 5.6637E-02 5.3779E-02 5.2468E-02 5.1913E-02 4.6999E-02 4.6072E-02 4.4342E-02 4.2759E-02 4.1308E-02 3.8734E-02 3.6518E-02 3.6070E-02 3.4583E-02 3.1356E-02 2.8758E-02 2.3999E-02 2.0730E-02 1.8324E-02 1.6470E-02 1.4991E-02 1.3783E-02 1.2768E-02 1.1908E-02 1.1171E-02 1.0521E-02 9.9547E-03 9.4514E-03 8.9996E-03 8.2269E-03 7.5849E-03 7.0459E-03 6.5862E-03 6.1820E-03 5.8333E-03 5.5242E-03 4.3908E-03 3.6636E-03 3.1564E-03 2.4895E-03 2.0662E-03 1.4714E-03 1.1536E-03 8.1793E-04 6.4040E-04 5.3023E-04 4.5375E-04 3.5452E-04 2.9167E-04 2.0369E-04 1.5764E-04 1.0961E-04 8.4607E-05 6.9191E-05 5.8650E-05 4.5176E-05 3.6902E-05 2.5501E-05 1.9604E-05 1.3521E-05 1.0379E-05 8.4527E-06 7.1450E-06 5.4806E-06 4.4582E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 2.2057E+03 1.6312E+05 8.0575E+03 1.7532E+03 2.3294E+03 3.5322E+03 5.3459E+03 6.4674E+03 5.6997E+03 5.0209E+03 5.8016E+03 5.6154E+03 4.7633E+03 5.0566E+03 4.4803E+03 3.9708E+03 4.1491E+03 3.2693E+03 1.2483E+03 6.1226E+02 3.4806E+02 2.1792E+02 1.4730E+02 4.0778E+02 3.6440E+02 3.2567E+02 4.4463E+02 3.9458E+02 3.8776E+02 4.4820E+02 2.5937E+02 8.8530E+01 4.0698E+01 1.3355E+01 5.9918E+00 3.4825E+00 1.9442E+01 1.7952E+01 1.1112E+01 5.1398E+00 2.7918E+00 9.0551E-01 4.0619E-01 2.1933E-01 1.3363E-01 8.8618E-02 6.2573E-02 4.6360E-02 3.5670E-02 2.8290E-02 2.3004E-02 1.9100E-02 1.3833E-02 1.2007E-02 1.0536E-02 8.3441E-03 7.5175E-03 7.1965E-03 4.8505E-03 4.5042E-03 3.9263E-03 3.4643E-03 3.0875E-03 2.5139E-03 2.1027E-03 2.0278E-03 1.7971E-03 1.3786E-03 1.1088E-03 7.3114E-04 5.3855E-04 4.2402E-04 3.4833E-04 2.9503E-04 2.5556E-04 2.2525E-04 2.0123E-04 1.8178E-04 1.6569E-04 1.5221E-04 1.4072E-04 1.3081E-04 1.1465E-04 1.0204E-04 9.1898E-05 8.3576E-05 7.6641E-05 7.0737E-05 6.5704E-05 4.8386E-05 3.8309E-05 3.1691E-05 2.3551E-05 1.8740E-05 1.2400E-05 9.2651E-06 6.1543E-06 4.6088E-06 3.6815E-06 3.0657E-06 2.2969E-06 1.8364E-06 1.2233E-06 9.1740E-07 6.1147E-07 4.5850E-07 3.6664E-07 3.0554E-07 2.2913E-07 1.8328E-07 1.2217E-07 9.1621E-08 6.1067E-08 4.5810E-08 3.6648E-08 3.0542E-08 2.2905E-08 1.8324E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 2.5152E-04 3.9094E-04 7.4104E-04 1.1627E-03 1.6333E-03 2.6627E-03 3.7540E-03 3.9985E-03 4.8627E-03 7.0147E-03 9.0392E-03 1.3561E-02 1.7425E-02 2.0745E-02 2.3686E-02 2.6325E-02 2.8723E-02 3.0922E-02 3.2955E-02 3.4837E-02 3.6601E-02 3.8234E-02 3.9747E-02 4.1174E-02 4.3710E-02 4.5969E-02 4.8030E-02 4.9932E-02 5.1636E-02 5.3181E-02 5.4648E-02 6.0513E-02 6.4911E-02 6.8319E-02 7.3313E-02 7.6879E-02 8.2546E-02 8.5914E-02 8.9798E-02 9.2057E-02 9.3523E-02 9.4593E-02 9.6020E-02 9.6931E-02 9.8239E-02 9.8952E-02 9.9705E-02 1.0014E-01 1.0042E-01 1.0058E-01 1.0081E-01 1.0097E-01 1.0117E-01 1.0129E-01 1.0141E-01 1.0149E-01 1.0153E-01 1.0153E-01 1.0157E-01 1.0161E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.6390E-08 2.8562E-06 1.0054E-05 4.0976E-05 8.1555E-05 1.2511E-04 1.6842E-04 2.1031E-04 2.5037E-04 2.8838E-04 3.2432E-04 3.5812E-04 3.8998E-04 4.2046E-04 4.4899E-04 4.7594E-04 5.2627E-04 5.7223E-04 6.1384E-04 6.5228E-04 6.8755E-04 7.2044E-04 7.5056E-04 8.7618E-04 9.7129E-04 1.0462E-03 1.1583E-03 1.2400E-03 1.3743E-03 1.4579E-03 1.5602E-03 1.6216E-03 1.6632E-03 1.6941E-03 1.7365E-03 1.7647E-03 1.8067E-03 1.8308E-03 1.8570E-03 1.8724E-03 1.8820E-03 1.8887E-03 1.8974E-03 1.9030E-03 1.9109E-03 1.9152E-03 1.9196E-03 1.9224E-03 1.9240E-03 1.9248E-03 1.9259E-03 1.9271E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Fe.mat0000644000276300001750000001666213136054446020324 0ustar solebliss00000000000000Iron 1 26 1.000000 2 10 88 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 7.1120E-03 7.1120E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 2.5000E-01 3.0000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 4.5365E+00 3.5786E+01 5.2512E+00 4.2411E+00 3.9327E+00 3.3536E+00 2.8489E+00 2.4208E+00 2.0650E+00 1.7447E+00 1.7447E+00 1.5420E+00 1.2013E+00 7.4577E-01 5.1695E-01 2.8489E-01 1.7954E-01 1.2444E-01 9.1776E-02 5.6041E-02 3.7677E-02 1.7814E-02 1.0330E-02 6.7320E-03 6.7320E-03 4.7285E-03 2.6937E-03 2.1370E-03 1.7361E-03 1.4377E-03 1.2099E-03 1.0323E-03 7.7696E-04 6.8334E-04 6.0559E-04 4.8519E-04 4.3812E-04 4.1958E-04 2.8080E-04 2.5961E-04 2.2386E-04 1.9507E-04 1.7156E-04 1.3572E-04 1.0988E-04 1.0516E-04 9.0695E-05 6.4953E-05 4.8837E-05 2.7476E-05 1.7588E-05 1.2217E-05 8.9728E-06 6.8700E-06 5.4283E-06 4.3963E-06 3.6340E-06 3.0538E-06 2.6020E-06 2.2429E-06 1.9539E-06 1.7178E-06 1.3576E-06 1.0988E-06 9.0849E-07 7.6335E-07 6.5045E-07 5.6084E-07 4.8859E-07 2.7487E-07 1.7588E-07 1.2217E-07 6.8700E-08 4.3963E-08 1.9539E-08 1.0988E-08 4.8848E-09 2.7476E-09 1.7588E-09 1.2217E-09 6.8700E-10 4.3963E-10 1.9539E-10 1.0988E-10 4.8848E-11 2.7476E-11 1.7588E-11 1.2217E-11 6.8700E-12 4.3963E-12 1.9539E-12 1.0988E-12 4.8848E-13 2.7476E-13 1.7588E-13 1.2217E-13 6.8700E-14 4.3963E-14 INCOHERENT SCATTERING CROSS SECTION 8.7765E-03 3.5039E-02 3.6910E-03 1.5301E-02 2.1243E-02 3.2059E-02 4.2119E-02 5.1328E-02 5.9664E-02 6.7999E-02 6.7999E-02 7.3952E-02 8.5414E-02 1.0468E-01 1.1624E-01 1.2864E-01 1.3382E-01 1.3555E-01 1.3555E-01 1.3317E-01 1.2961E-01 1.2002E-01 1.1139E-01 1.0406E-01 1.0406E-01 9.7880E-02 8.8099E-02 8.4144E-02 8.0648E-02 7.7527E-02 7.4717E-02 7.2170E-02 6.7713E-02 6.5746E-02 6.3923E-02 6.0643E-02 5.9157E-02 5.8532E-02 5.2924E-02 5.1868E-02 4.9904E-02 4.8115E-02 4.6478E-02 4.3577E-02 4.1074E-02 4.0567E-02 3.8885E-02 3.5243E-02 3.2317E-02 2.6969E-02 2.3292E-02 2.0585E-02 1.8504E-02 1.6843E-02 1.5474E-02 1.4342E-02 1.3371E-02 1.2541E-02 1.1818E-02 1.1182E-02 1.0615E-02 1.0108E-02 9.2391E-03 8.5199E-03 7.9138E-03 7.3952E-03 6.9444E-03 6.5508E-03 6.2025E-03 4.9290E-03 4.1138E-03 3.5445E-03 2.7961E-03 2.3206E-03 1.6520E-03 1.2961E-03 9.1830E-04 7.1924E-04 5.9534E-04 5.0973E-04 3.9812E-04 3.2749E-04 2.2871E-04 1.7706E-04 1.2315E-04 9.5011E-05 7.7683E-05 6.5875E-05 5.0757E-05 4.1440E-05 2.8640E-05 2.2019E-05 1.5183E-05 1.1657E-05 9.4925E-06 8.0249E-06 6.1529E-06 5.0056E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 9.0806E+03 2.4228E+06 4.8804E+04 3.3957E+03 1.6229E+03 5.5426E+02 2.5384E+02 1.3738E+02 8.2719E+01 5.1382E+01 4.0588E+02 3.0398E+02 1.6941E+02 5.6235E+01 2.5050E+01 7.7629E+00 3.3159E+00 1.6973E+00 9.7761E-01 4.0599E-01 2.0445E-01 5.8607E-02 2.4327E-02 1.2431E-02 1.2431E-02 7.2658E-03 3.2091E-03 2.3280E-03 1.7620E-03 1.3801E-03 1.1096E-03 9.1090E-04 6.5058E-04 5.6504E-04 4.9839E-04 3.9516E-04 3.5143E-04 3.3353E-04 2.2559E-04 2.1038E-04 1.8410E-04 1.6272E-04 1.4536E-04 1.1912E-04 1.0035E-04 9.6920E-05 8.6334E-05 6.7029E-05 5.4477E-05 3.6695E-05 2.7465E-05 2.1879E-05 1.8148E-05 1.5485E-05 1.3501E-05 1.1959E-05 1.0727E-05 9.7254E-06 8.8940E-06 8.1921E-06 7.5925E-06 7.0738E-06 6.2230E-06 5.5545E-06 5.0153E-06 4.5710E-06 4.1990E-06 3.8820E-06 3.6102E-06 2.6732E-06 2.1221E-06 1.7588E-06 1.3112E-06 1.0446E-06 6.9272E-07 5.1814E-07 3.4453E-07 2.5804E-07 2.0628E-07 1.7178E-07 1.2875E-07 1.0297E-07 6.8614E-08 5.1447E-08 3.4291E-08 2.5707E-08 2.0564E-08 1.7135E-08 1.2854E-08 1.0283E-08 6.8549E-09 5.1404E-09 3.4269E-09 2.5707E-09 2.0564E-09 1.7135E-09 1.2854E-09 1.0281E-09 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 7.0307E-05 1.1146E-04 2.1960E-04 3.5800E-04 5.2255E-04 9.1451E-04 1.3641E-03 1.4676E-03 1.8415E-03 2.8177E-03 3.7806E-03 6.0386E-03 8.0325E-03 9.8095E-03 1.1387E-02 1.2811E-02 1.4094E-02 1.5258E-02 1.6315E-02 1.7286E-02 1.8170E-02 1.9011E-02 1.9787E-02 2.0521E-02 2.1858E-02 2.3055E-02 2.4144E-02 2.5125E-02 2.6031E-02 2.6850E-02 2.7616E-02 3.0711E-02 3.3029E-02 3.4841E-02 3.7558E-02 3.9499E-02 4.2626E-02 4.4513E-02 4.6713E-02 4.7996E-02 4.8837E-02 4.9441E-02 5.0250E-02 5.0768E-02 5.1533E-02 5.1943E-02 5.2396E-02 5.2633E-02 5.2795E-02 5.2892E-02 5.3032E-02 5.3118E-02 5.3248E-02 5.3313E-02 5.3377E-02 5.3410E-02 5.3442E-02 5.3453E-02 5.3474E-02 5.3485E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 1.0822E-07 3.2105E-06 1.1312E-05 4.6174E-05 9.1981E-05 1.4126E-04 1.9032E-04 2.3799E-04 2.8360E-04 3.2695E-04 3.6803E-04 4.0685E-04 4.4352E-04 4.7845E-04 5.1145E-04 5.4294E-04 6.0138E-04 6.5476E-04 7.0361E-04 7.4868E-04 7.9041E-04 8.2923E-04 8.6547E-04 1.0163E-03 1.1322E-03 1.2250E-03 1.3652E-03 1.4687E-03 1.6434E-03 1.7534E-03 1.8903E-03 1.9733E-03 2.0305E-03 2.0725E-03 2.1308E-03 2.1707E-03 2.2289E-03 2.2634E-03 2.3001E-03 2.3216E-03 2.3346E-03 2.3443E-03 2.3572E-03 2.3648E-03 2.3756E-03 2.3820E-03 2.3885E-03 2.3917E-03 2.3939E-03 2.3960E-03 2.3971E-03 2.3982E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Po.mat0000644000276300001750000002161613136054446020343 0ustar solebliss00000000000000Po 1 84 1.000000 10 6 3 3 3 3 6 3 3 8 79 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 2.6830E-03 2.6830E-03 2.7399E-03 2.7980E-03 2.7980E-03 3.0000E-03 3.3019E-03 3.3019E-03 3.5673E-03 3.8541E-03 3.8541E-03 4.0000E-03 4.1494E-03 4.1494E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.3814E-02 1.3814E-02 1.5000E-02 1.6244E-02 1.6244E-02 1.6588E-02 1.6939E-02 1.6939E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 9.3105E-02 9.3105E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.2996E+01 5.7163E+01 1.4307E+01 1.2452E+01 1.1838E+01 1.0993E+01 1.0993E+01 1.0924E+01 1.0852E+01 1.0852E+01 1.0607E+01 1.0262E+01 1.0262E+01 9.9648E+00 9.6478E+00 9.6478E+00 9.4893E+00 9.3337E+00 9.3337E+00 8.5066E+00 7.6450E+00 6.2474E+00 5.1927E+00 3.7922E+00 3.7922E+00 3.4666E+00 3.1669E+00 3.1669E+00 3.0915E+00 3.0171E+00 3.0171E+00 2.4595E+00 1.4475E+00 9.6939E-01 6.9131E-01 5.1783E-01 3.2534E-01 2.5338E-01 2.5338E-01 2.2503E-01 1.1126E-01 6.6393E-02 4.4306E-02 3.1727E-02 2.3845E-02 1.8572E-02 1.4870E-02 1.2172E-02 1.0147E-02 8.5873E-03 7.3610E-03 5.5816E-03 4.9247E-03 4.3774E-03 3.5253E-03 3.1900E-03 3.0574E-03 2.0601E-03 1.9071E-03 1.6482E-03 1.4385E-03 1.2663E-03 1.0031E-03 8.1435E-04 7.8006E-04 6.7439E-04 4.8396E-04 3.6395E-04 2.0509E-04 1.3137E-04 9.1291E-05 6.7085E-05 5.1380E-05 4.0602E-05 3.2880E-05 2.7183E-05 2.2843E-05 1.9466E-05 1.6786E-05 1.4621E-05 1.2852E-05 1.0155E-05 8.2242E-06 6.7978E-06 5.7114E-06 4.8671E-06 4.1957E-06 3.6568E-06 2.0566E-06 1.3160E-06 9.1406E-07 5.1409E-07 3.2908E-07 1.4624E-07 8.2242E-08 3.6568E-08 2.0563E-08 1.3160E-08 9.1406E-09 5.1409E-09 3.2908E-09 1.4624E-09 8.2242E-10 3.6568E-10 2.0563E-10 1.3160E-10 9.1406E-11 5.1409E-11 3.2908E-11 1.4624E-11 8.2242E-12 3.6568E-12 2.0563E-12 1.3160E-12 9.1406E-13 5.1409E-13 3.2908E-13 INCOHERENT SCATTERING CROSS SECTION 3.4868E-03 3.0419E-03 1.2631E-03 6.5557E-03 9.7227E-03 1.3907E-02 1.3907E-02 1.4244E-02 1.4587E-02 1.4587E-02 1.5760E-02 1.7440E-02 1.7440E-02 1.8877E-02 2.0388E-02 2.0388E-02 2.1137E-02 2.1895E-02 2.1895E-02 2.5975E-02 3.0459E-02 3.8729E-02 4.6049E-02 5.7114E-02 5.7114E-02 5.9996E-02 6.2733E-02 6.2733E-02 6.3454E-02 6.4174E-02 6.4174E-02 6.9765E-02 8.3049E-02 9.1060E-02 9.5757E-02 9.8408E-02 1.0040E-01 1.0040E-01 1.0040E-01 1.0014E-01 9.6103E-02 9.0916E-02 8.5952E-02 8.1522E-02 7.7627E-02 7.4174E-02 7.1085E-02 6.8324E-02 6.5848E-02 6.3598E-02 6.1531E-02 5.7859E-02 5.6221E-02 5.4697E-02 5.1953E-02 5.0717E-02 5.0198E-02 4.5472E-02 4.4575E-02 4.2905E-02 4.1380E-02 3.9981E-02 3.7498E-02 3.5358E-02 3.4926E-02 3.3491E-02 3.0376E-02 2.7866E-02 2.3258E-02 2.0091E-02 1.7762E-02 1.5967E-02 1.4532E-02 1.3359E-02 1.2380E-02 1.1547E-02 1.0829E-02 1.0201E-02 9.6506E-03 9.1636E-03 8.7256E-03 7.9764E-03 7.3540E-03 6.8324E-03 6.3828E-03 5.9938E-03 5.6538E-03 5.3541E-03 4.2562E-03 3.5531E-03 3.0603E-03 2.4137E-03 2.0033E-03 1.4267E-03 1.1187E-03 7.9274E-04 6.2099E-04 5.1409E-04 4.4003E-04 3.4378E-04 2.8278E-04 1.9748E-04 1.5284E-04 1.0628E-04 8.2041E-05 6.7085E-05 5.6884E-05 4.3830E-05 3.5790E-05 2.4725E-05 1.9010E-05 1.3109E-05 1.0066E-05 8.1954E-06 6.9275E-06 5.3109E-06 4.3225E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 5.7114E+03 5.0785E+05 2.2052E+04 2.5915E+03 1.4114E+03 7.3713E+02 2.1947E+03 1.9674E+03 1.7641E+03 2.7007E+03 2.1439E+03 1.6829E+03 1.9457E+03 1.6083E+03 1.3296E+03 1.4094E+03 1.2895E+03 1.1806E+03 1.2322E+03 7.8467E+02 5.0083E+02 2.4310E+02 1.3745E+02 5.9506E+01 1.4748E+02 1.1841E+02 9.5267E+01 1.3284E+02 1.2633E+02 1.2011E+02 1.3887E+02 9.1002E+01 3.1496E+01 1.4633E+01 8.0139E+00 4.8815E+00 2.2235E+00 1.4662E+00 6.7863E+00 5.6653E+00 1.9624E+00 9.2011E-01 5.1285E-01 3.2015E-01 2.1664E-01 1.5552E-01 1.1678E-01 9.0858E-02 7.2752E-02 5.9621E-02 4.9800E-02 3.6386E-02 3.1698E-02 2.7905E-02 2.2195E-02 2.0007E-02 1.9151E-02 1.2921E-02 1.1994E-02 1.0442E-02 9.2011E-03 8.1941E-03 6.6655E-03 5.5645E-03 5.3627E-03 4.7431E-03 3.6262E-03 2.9076E-03 1.9016E-03 1.3930E-03 1.0910E-03 8.9331E-04 7.5442E-04 6.5183E-04 5.7316E-04 5.1120E-04 4.6106E-04 4.1957E-04 3.8499E-04 3.5560E-04 3.3024E-04 2.8903E-04 2.5684E-04 2.3105E-04 2.0993E-04 1.9235E-04 1.7745E-04 1.6469E-04 1.2109E-04 9.5700E-05 7.9101E-05 5.8699E-05 4.6683E-05 3.0862E-05 2.3047E-05 1.5299E-05 1.1449E-05 9.1492E-06 7.6162E-06 5.7057E-06 4.5616E-06 3.0401E-06 2.2785E-06 1.5183E-06 1.1385E-06 9.1060E-07 7.5874E-07 5.6913E-07 4.5530E-07 3.0344E-07 2.2756E-07 1.5172E-07 1.1377E-07 9.1031E-08 7.5845E-08 5.6884E-08 4.5501E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 3.9997E-04 6.3127E-04 1.2191E-03 1.9212E-03 2.6793E-03 4.2298E-03 5.7575E-03 6.0918E-03 7.2498E-03 1.0001E-02 1.2475E-02 1.7823E-02 2.2298E-02 2.6160E-02 2.9566E-02 3.2620E-02 3.5415E-02 3.7980E-02 4.0343E-02 4.2562E-02 4.4637E-02 4.6567E-02 4.8383E-02 5.0054E-02 5.3109E-02 5.5818E-02 5.8296E-02 6.0543E-02 6.2618E-02 6.4491E-02 6.6249E-02 7.3338E-02 7.8611E-02 8.2703E-02 8.8697E-02 9.2904E-02 9.9590E-02 1.0357E-01 1.0818E-01 1.1080E-01 1.1253E-01 1.1377E-01 1.1541E-01 1.1648E-01 1.1800E-01 1.1884E-01 1.1973E-01 1.2022E-01 1.2054E-01 1.2074E-01 1.2103E-01 1.2120E-01 1.2143E-01 1.2158E-01 1.2172E-01 1.2178E-01 1.2184E-01 1.2186E-01 1.2189E-01 1.2192E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.3259E-08 2.7645E-06 9.7342E-06 3.9680E-05 7.8900E-05 1.2091E-04 1.6270E-04 2.0307E-04 2.4160E-04 2.7814E-04 3.1266E-04 3.4493E-04 3.7548E-04 4.0458E-04 4.3196E-04 4.5789E-04 5.0602E-04 5.4924E-04 5.8901E-04 6.2532E-04 6.5874E-04 6.8958E-04 7.1839E-04 8.3625E-04 9.2472E-04 9.9446E-04 1.0982E-03 1.1731E-03 1.2953E-03 1.3708E-03 1.4624E-03 1.5166E-03 1.5535E-03 1.5806E-03 1.6175E-03 1.6417E-03 1.6777E-03 1.6982E-03 1.7201E-03 1.7333E-03 1.7411E-03 1.7466E-03 1.7538E-03 1.7587E-03 1.7647E-03 1.7685E-03 1.7719E-03 1.7742E-03 1.7757E-03 1.7762E-03 1.7771E-03 1.7780E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Pb.mat0000644000276300001750000002174213136054446020326 0ustar solebliss00000000000000Pb 1 82 1.000000 10 6 3 3 3 3 7 3 3 8 79 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 2.4840E-03 2.4840E-03 2.5343E-03 2.5856E-03 2.5856E-03 3.0000E-03 3.0664E-03 3.0664E-03 3.3013E-03 3.5542E-03 3.5542E-03 3.6995E-03 3.8507E-03 3.8507E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.3035E-02 1.3035E-02 1.5000E-02 1.5200E-02 1.5200E-02 1.5527E-02 1.5861E-02 1.5861E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 8.8004E-02 8.8004E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.2509E+01 5.4318E+01 1.3723E+01 1.2009E+01 1.1437E+01 1.0876E+01 1.0876E+01 1.0817E+01 1.0757E+01 1.0757E+01 1.0268E+01 1.0193E+01 1.0193E+01 9.9294E+00 9.6523E+00 9.6523E+00 9.4962E+00 9.3355E+00 9.3355E+00 9.1785E+00 8.2078E+00 7.3620E+00 6.0018E+00 4.9816E+00 3.8510E+00 3.8510E+00 3.3075E+00 3.2581E+00 3.2581E+00 3.1804E+00 3.1041E+00 3.1041E+00 2.3379E+00 1.3771E+00 9.2018E-01 6.5453E-01 4.9003E-01 3.0779E-01 2.6318E-01 2.6318E-01 2.1275E-01 1.0492E-01 6.2605E-02 4.1757E-02 2.9878E-02 2.2436E-02 1.7462E-02 1.3974E-02 1.1434E-02 9.5268E-03 8.0595E-03 6.9071E-03 5.2373E-03 4.6212E-03 4.1080E-03 3.3071E-03 2.9907E-03 2.8655E-03 1.9305E-03 1.7871E-03 1.5441E-03 1.3474E-03 1.1861E-03 9.3973E-04 7.6265E-04 7.3039E-04 6.3114E-04 4.5286E-04 3.4063E-04 1.9191E-04 1.2294E-04 8.5420E-05 6.2779E-05 4.8072E-05 3.7987E-05 3.0779E-05 2.5431E-05 2.1371E-05 1.8212E-05 1.5703E-05 1.3681E-05 1.2024E-05 9.5011E-06 7.6962E-06 6.3593E-06 5.3449E-06 4.5544E-06 3.9266E-06 3.4209E-06 1.9241E-06 1.2315E-06 8.5507E-07 4.8102E-07 3.0779E-07 1.3684E-07 7.6962E-08 3.4209E-08 1.9241E-08 1.2315E-08 8.5507E-09 4.8102E-09 3.0779E-09 1.3684E-09 7.6962E-10 3.4209E-10 1.9241E-10 1.2315E-10 8.5507E-11 4.8102E-11 3.0779E-11 1.3684E-11 7.6962E-12 3.4209E-12 1.9241E-12 1.2315E-12 8.5507E-13 4.8102E-13 3.0779E-13 INCOHERENT SCATTERING CROSS SECTION 3.5865E-03 3.8267E-03 1.3496E-03 6.6005E-03 9.6203E-03 1.2399E-02 1.2399E-02 1.2683E-02 1.2971E-02 1.2971E-02 1.5247E-02 1.5605E-02 1.5605E-02 1.6838E-02 1.8130E-02 1.8130E-02 1.8866E-02 1.9627E-02 1.9627E-02 2.0371E-02 2.5155E-02 2.9704E-02 3.8074E-02 4.5399E-02 5.4350E-02 5.4350E-02 5.9204E-02 5.9640E-02 5.9640E-02 6.0370E-02 6.1122E-02 6.1122E-02 6.8970E-02 8.2281E-02 9.0187E-02 9.4779E-02 9.7337E-02 9.9226E-02 9.9284E-02 9.9284E-02 9.8935E-02 9.4837E-02 8.9664E-02 8.4749E-02 8.0363E-02 7.6504E-02 7.3097E-02 7.0067E-02 6.7342E-02 6.4873E-02 6.2634E-02 6.0597E-02 5.6990E-02 5.5368E-02 5.3846E-02 5.1126E-02 4.9933E-02 4.9438E-02 4.4759E-02 4.3875E-02 4.2243E-02 4.0748E-02 3.9358E-02 3.6888E-02 3.4819E-02 3.4412E-02 3.3038E-02 2.9951E-02 2.7437E-02 2.2900E-02 1.9781E-02 1.7488E-02 1.5721E-02 1.4308E-02 1.3155E-02 1.2187E-02 1.1367E-02 1.0661E-02 1.0045E-02 9.5040E-03 9.0216E-03 8.5914E-03 7.8532E-03 7.2428E-03 6.7255E-03 6.2866E-03 5.9030E-03 5.5687E-03 5.2723E-03 4.1882E-03 3.4964E-03 3.0140E-03 2.3763E-03 1.9723E-03 1.4047E-03 1.1012E-03 7.8067E-04 6.1122E-04 5.0601E-04 4.3335E-04 3.3831E-04 2.7841E-04 1.9444E-04 1.5050E-04 1.0463E-04 8.0770E-05 6.6034E-05 5.6007E-05 4.3132E-05 3.5226E-05 2.4344E-05 1.8717E-05 1.2907E-05 9.9080E-06 8.0683E-06 6.8214E-06 5.2316E-06 4.2550E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 5.1967E+03 4.7834E+05 2.0277E+04 2.3443E+03 1.2739E+03 7.8997E+02 1.3849E+03 1.6362E+03 1.9328E+03 2.4391E+03 1.9546E+03 1.8468E+03 2.1359E+03 1.7817E+03 1.4861E+03 1.5750E+03 1.4319E+03 1.3018E+03 1.3585E+03 1.2419E+03 7.2225E+02 4.5980E+02 2.2263E+02 1.2562E+02 6.3099E+01 1.5820E+02 1.0821E+02 1.0446E+02 1.4521E+02 1.3801E+02 1.3120E+02 1.5166E+02 8.3967E+01 2.8858E+01 1.3349E+01 7.2923E+00 4.4323E+00 2.0124E+00 1.5474E+00 7.3213E+00 5.2374E+00 1.8148E+00 8.4635E-01 4.7015E-01 2.9297E-01 1.9781E-01 1.4172E-01 1.0626E-01 8.2572E-02 6.6032E-02 5.4060E-02 4.5132E-02 3.2963E-02 2.8710E-02 2.5266E-02 2.0080E-02 1.8095E-02 1.7319E-02 1.1684E-02 1.0847E-02 9.4437E-03 8.3211E-03 7.4081E-03 6.0237E-03 5.0339E-03 4.8537E-03 4.2974E-03 3.2848E-03 2.6315E-03 1.7226E-03 1.2626E-03 9.8935E-04 8.1031E-04 6.8447E-04 5.9146E-04 5.2025E-04 4.6416E-04 4.1853E-04 3.8103E-04 3.4964E-04 3.2291E-04 2.9994E-04 2.6254E-04 2.3336E-04 2.0993E-04 1.9078E-04 1.7479E-04 1.6128E-04 1.4968E-04 1.1007E-04 8.6990E-05 7.1905E-05 5.3391E-05 4.2434E-05 2.8065E-05 2.0961E-05 1.3916E-05 1.0414E-05 8.3211E-06 6.9289E-06 5.1909E-06 4.1504E-06 2.7646E-06 2.0726E-06 1.3811E-06 1.0356E-06 8.2833E-07 6.9028E-07 5.1764E-07 4.1417E-07 2.7602E-07 2.0703E-07 1.3800E-07 1.0350E-07 8.2804E-08 6.8999E-08 5.1735E-08 4.1388E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 3.7813E-04 5.9561E-04 1.1473E-03 1.8064E-03 2.5203E-03 3.9906E-03 5.4496E-03 5.7693E-03 6.8789E-03 9.5277E-03 1.1922E-02 1.7122E-02 2.1476E-02 2.5228E-02 2.8530E-02 3.1506E-02 3.4209E-02 3.6708E-02 3.9004E-02 4.1155E-02 4.3161E-02 4.5050E-02 4.6794E-02 4.8421E-02 5.1386E-02 5.4031E-02 5.6414E-02 5.8594E-02 6.0570E-02 6.2401E-02 6.4087E-02 7.0975E-02 7.6061E-02 8.0014E-02 8.5827E-02 8.9925E-02 9.6377E-02 1.0021E-01 1.0466E-01 1.0722E-01 1.0888E-01 1.1007E-01 1.1167E-01 1.1268E-01 1.1416E-01 1.1498E-01 1.1585E-01 1.1632E-01 1.1661E-01 1.1681E-01 1.1707E-01 1.1725E-01 1.1748E-01 1.1762E-01 1.1774E-01 1.1780E-01 1.1786E-01 1.1789E-01 1.1791E-01 1.1794E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.1886E-08 2.7230E-06 9.5854E-06 3.9063E-05 7.7689E-05 1.1911E-04 1.6023E-04 2.0002E-04 2.3798E-04 2.7399E-04 3.0808E-04 3.4005E-04 3.6999E-04 3.9876E-04 4.2550E-04 4.5108E-04 4.9845E-04 5.4147E-04 5.8042E-04 6.1645E-04 6.4930E-04 6.7982E-04 7.0830E-04 8.2456E-04 9.1204E-04 9.8063E-04 1.0832E-03 1.1571E-03 1.2777E-03 1.3521E-03 1.4425E-03 1.4959E-03 1.5323E-03 1.5587E-03 1.5951E-03 1.6189E-03 1.6546E-03 1.6747E-03 1.6962E-03 1.7093E-03 1.7171E-03 1.7224E-03 1.7296E-03 1.7343E-03 1.7404E-03 1.7442E-03 1.7476E-03 1.7497E-03 1.7511E-03 1.7520E-03 1.7529E-03 1.7535E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Ar.mat0000644000276300001750000001667613136054446020341 0ustar solebliss00000000000000Argon 1 18 1.000000 2 7 91 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 3.0000E-03 3.2029E-03 3.2029E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 2.5000E-01 3.0000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 3.0421E+00 5.3009E+01 3.6182E+00 2.8220E+00 2.5703E+00 2.0834E+00 1.9929E+00 1.9929E+00 1.6944E+00 1.4088E+00 1.2015E+00 9.2455E-01 7.4108E-01 4.5556E-01 3.0165E-01 1.6160E-01 1.0215E-01 7.0701E-02 5.1782E-02 3.1069E-02 2.0638E-02 9.6329E-03 5.5491E-03 3.5990E-03 3.5990E-03 2.5190E-03 1.4284E-03 1.1312E-03 9.1791E-04 7.5959E-04 6.3888E-04 5.4477E-04 4.0960E-04 3.6014E-04 3.1913E-04 2.5564E-04 2.3080E-04 2.2100E-04 1.4779E-04 1.3665E-04 1.1784E-04 1.0268E-04 9.0271E-05 7.1358E-05 5.7782E-05 5.5310E-05 4.7726E-05 3.4180E-05 2.5688E-05 1.4449E-05 9.2485E-06 6.4219E-06 4.7185E-06 3.6135E-06 2.8552E-06 2.3125E-06 1.9115E-06 1.6055E-06 1.3682E-06 1.1796E-06 1.0277E-06 9.0314E-07 7.1365E-07 5.7797E-07 4.7772E-07 4.0145E-07 3.4205E-07 2.9487E-07 2.5688E-07 1.4451E-07 9.2485E-08 6.4219E-08 3.6120E-08 2.3125E-08 1.0275E-08 5.7797E-09 2.5688E-09 1.4451E-09 9.2485E-10 6.4219E-10 3.6120E-10 2.3125E-10 1.0275E-10 5.7797E-11 2.5688E-11 1.4451E-11 9.2485E-12 6.4219E-12 3.6120E-12 2.3125E-12 1.0275E-12 5.7797E-13 2.5688E-13 1.4451E-13 9.2485E-14 6.4219E-14 3.6120E-14 2.3125E-14 INCOHERENT SCATTERING CROSS SECTION 7.0792E-03 3.6991E-03 2.2891E-03 1.4202E-02 2.2040E-02 3.7175E-02 4.0009E-02 4.0009E-02 5.0230E-02 6.0993E-02 6.9707E-02 8.2927E-02 9.2877E-02 1.1050E-01 1.2132E-01 1.3156E-01 1.3509E-01 1.3587E-01 1.3530E-01 1.3216E-01 1.2803E-01 1.1758E-01 1.0868E-01 1.0132E-01 1.0132E-01 9.5183E-02 8.5535E-02 8.1649E-02 7.8224E-02 7.5175E-02 7.2435E-02 6.9951E-02 6.5607E-02 6.3692E-02 6.1918E-02 5.8735E-02 5.7300E-02 5.6697E-02 5.1255E-02 5.0226E-02 4.8315E-02 4.6582E-02 4.5002E-02 4.2205E-02 3.9768E-02 3.9270E-02 3.7630E-02 3.4115E-02 3.1296E-02 2.6095E-02 2.2537E-02 1.9929E-02 1.7909E-02 1.6296E-02 1.4981E-02 1.3881E-02 1.2946E-02 1.2141E-02 1.1439E-02 1.0821E-02 1.0274E-02 9.7836E-03 8.9425E-03 8.2460E-03 7.6596E-03 7.1576E-03 6.7204E-03 6.3390E-03 6.0028E-03 4.7697E-03 3.9828E-03 3.4311E-03 2.7060E-03 2.2462E-03 1.5995E-03 1.2539E-03 8.8882E-04 6.9601E-04 5.7616E-04 4.9340E-04 3.8532E-04 3.1703E-04 2.2145E-04 1.7140E-04 1.1914E-04 9.1957E-05 7.5194E-05 6.3752E-05 4.9129E-05 4.0099E-05 2.7723E-05 2.1316E-05 1.4695E-05 1.1282E-05 9.1882E-06 7.7666E-06 5.9546E-06 4.8451E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 3.1808E+03 1.3090E+06 1.9479E+04 1.1018E+03 5.0938E+02 1.6824E+02 1.4038E+02 1.2729E+03 7.5541E+02 4.2104E+02 2.5808E+02 1.1698E+02 6.2320E+01 1.9266E+01 8.2068E+00 2.4029E+00 9.9088E-01 4.9461E-01 2.7934E-01 1.1275E-01 5.5642E-02 1.5437E-02 6.2802E-03 3.1655E-03 3.1655E-03 1.8316E-03 7.9792E-04 5.7610E-04 4.3446E-04 3.3932E-04 2.7210E-04 2.2278E-04 1.5874E-04 1.3806E-04 1.2212E-04 9.6989E-05 8.5867E-05 8.1239E-05 5.5039E-05 5.1395E-05 4.5008E-05 3.9783E-05 3.5565E-05 2.9234E-05 2.4708E-05 2.3879E-05 2.1314E-05 1.6618E-05 1.3554E-05 9.1972E-06 6.9194E-06 5.5310E-06 4.6009E-06 3.9346E-06 3.4356E-06 3.0482E-06 2.7391E-06 2.4859E-06 2.2748E-06 2.0969E-06 1.9447E-06 1.8135E-06 1.5964E-06 1.4265E-06 1.2889E-06 1.1754E-06 1.0803E-06 9.9932E-07 9.2967E-07 6.8938E-07 5.4767E-07 4.5436E-07 3.3873E-07 2.6999E-07 1.7924E-07 1.3408E-07 8.9168E-08 6.6797E-08 5.3395E-08 4.4486E-08 3.3346E-08 2.6668E-08 1.7773E-08 1.3322E-08 8.8791E-09 6.6586E-09 5.3260E-09 4.4381E-09 3.3285E-09 2.6622E-09 1.7758E-09 1.3314E-09 8.8761E-10 6.6571E-10 5.3260E-10 4.4381E-10 3.3285E-10 2.6622E-10 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 4.2602E-05 6.8391E-05 1.3745E-04 2.2718E-04 3.3448E-04 5.9064E-04 8.8641E-04 9.5515E-04 1.2040E-03 1.8551E-03 2.4994E-03 4.0250E-03 5.3787E-03 6.5893E-03 7.6671E-03 8.6364E-03 9.5138E-03 1.0310E-02 1.1032E-02 1.1694E-02 1.2307E-02 1.2879E-02 1.3412E-02 1.3913E-02 1.4828E-02 1.5648E-02 1.6386E-02 1.7065E-02 1.7668E-02 1.8241E-02 1.8768E-02 2.0924E-02 2.2537E-02 2.3788E-02 2.5658E-02 2.6999E-02 2.9185E-02 3.0512E-02 3.2095E-02 3.3014E-02 3.3617E-02 3.4054E-02 3.4642E-02 3.5019E-02 3.5577E-02 3.5878E-02 3.6210E-02 3.6391E-02 3.6496E-02 3.6572E-02 3.6677E-02 3.6738E-02 3.6828E-02 3.6888E-02 3.6934E-02 3.6964E-02 3.6979E-02 3.6979E-02 3.6994E-02 3.7009E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 1.0475E-07 3.1076E-06 1.0949E-05 4.4697E-05 8.9063E-05 1.3677E-04 1.8437E-04 2.3065E-04 2.7482E-04 3.1703E-04 3.5697E-04 3.9466E-04 4.3039E-04 4.6431E-04 4.9657E-04 5.2717E-04 5.8430E-04 6.3631E-04 6.8425E-04 7.2842E-04 7.6927E-04 8.0741E-04 8.4284E-04 9.9148E-04 1.1060E-03 1.1980E-03 1.3387E-03 1.4431E-03 1.6206E-03 1.7336E-03 1.8768E-03 1.9628E-03 2.0231E-03 2.0683E-03 2.1286E-03 2.1708E-03 2.2311E-03 2.2658E-03 2.3050E-03 2.3276E-03 2.3411E-03 2.3502E-03 2.3638E-03 2.3713E-03 2.3818E-03 2.3894E-03 2.3954E-03 2.3984E-03 2.4014E-03 2.4029E-03 2.4045E-03 2.4060E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Ta.mat0000644000276300001750000002174213136054446020331 0ustar solebliss00000000000000Ta 1 73 1.000000 10 5 3 3 3 3 7 3 3 8 80 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 1.7351E-03 1.7351E-03 1.7639E-03 1.7932E-03 1.7932E-03 2.0000E-03 2.1940E-03 2.1940E-03 2.3273E-03 2.4687E-03 2.4687E-03 2.5856E-03 2.7080E-03 2.7080E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 9.8811E-03 9.8811E-03 1.0000E-02 1.1136E-02 1.1136E-02 1.1406E-02 1.1681E-02 1.1681E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 6.7416E-02 6.7416E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.1302E+01 4.8296E+01 1.2446E+01 1.0823E+01 1.0580E+01 1.0580E+01 1.0550E+01 1.0520E+01 1.0520E+01 1.0297E+01 1.0084E+01 1.0084E+01 9.9517E+00 9.8113E+00 9.8113E+00 9.6874E+00 9.5550E+00 9.5550E+00 9.2488E+00 8.2737E+00 7.3884E+00 6.6096E+00 5.3383E+00 4.4264E+00 4.4264E+00 4.3765E+00 3.9338E+00 3.9338E+00 3.8384E+00 3.7441E+00 3.7441E+00 2.8322E+00 1.9989E+00 1.1818E+00 7.7811E-01 5.5014E-01 4.1235E-01 3.4180E-01 3.4180E-01 2.5893E-01 1.7765E-01 8.6864E-02 5.1752E-02 3.4426E-02 2.4555E-02 1.8385E-02 1.4274E-02 1.1399E-02 9.3120E-03 7.7494E-03 6.5497E-03 5.6089E-03 4.2467E-03 3.7441E-03 3.3254E-03 2.6737E-03 2.4175E-03 2.3164E-03 1.5579E-03 1.4418E-03 1.2453E-03 1.0863E-03 9.5582E-04 7.5653E-04 6.1370E-04 5.8774E-04 5.0782E-04 3.6410E-04 2.7370E-04 1.5416E-04 9.8712E-05 6.8592E-05 5.0388E-05 3.8606E-05 3.0492E-05 2.4701E-05 2.0418E-05 1.7156E-05 1.4620E-05 1.2607E-05 1.0979E-05 9.6515E-06 7.6247E-06 6.1770E-06 5.1053E-06 4.2899E-06 3.6543E-06 3.1514E-06 2.7454E-06 1.5442E-06 9.8845E-07 6.8626E-07 3.8606E-07 2.4708E-07 1.0983E-07 6.1770E-08 2.7454E-08 1.5442E-08 9.8845E-09 6.8626E-09 3.8606E-09 2.4708E-09 1.0983E-09 6.1770E-10 2.7454E-10 1.5442E-10 9.8845E-11 6.8626E-11 3.8606E-11 2.4708E-11 1.0983E-11 6.1770E-12 2.7454E-12 1.5442E-12 9.8845E-13 6.8626E-13 3.8606E-13 2.4708E-13 INCOHERENT SCATTERING CROSS SECTION 4.4863E-03 1.0980E-02 1.9182E-03 7.6979E-03 9.1390E-03 9.1390E-03 9.3138E-03 9.4918E-03 9.4918E-03 1.0750E-02 1.1921E-02 1.1921E-02 1.2716E-02 1.3552E-02 1.3552E-02 1.4241E-02 1.4960E-02 1.4960E-02 1.6657E-02 2.2268E-02 2.7547E-02 3.2462E-02 4.1069E-02 4.7891E-02 4.7891E-02 4.8291E-02 5.1918E-02 5.1918E-02 5.2747E-02 5.3582E-02 5.3582E-02 6.2402E-02 7.3019E-02 8.7063E-02 9.4851E-02 9.9178E-02 1.0151E-01 1.0244E-01 1.0244E-01 1.0304E-01 1.0247E-01 9.7713E-02 9.2122E-02 8.6957E-02 8.2371E-02 7.8329E-02 7.4782E-02 7.1659E-02 6.8858E-02 6.6314E-02 6.3999E-02 6.1893E-02 5.8188E-02 5.6544E-02 5.5016E-02 5.2248E-02 5.0987E-02 5.0454E-02 4.5662E-02 4.4763E-02 4.3093E-02 4.1568E-02 4.0162E-02 3.7661E-02 3.5511E-02 3.5078E-02 3.3639E-02 3.0504E-02 2.7976E-02 2.3350E-02 2.0168E-02 1.7829E-02 1.6025E-02 1.4587E-02 1.3409E-02 1.2424E-02 1.1588E-02 1.0870E-02 1.0241E-02 9.6881E-03 9.1989E-03 8.7596E-03 8.0041E-03 7.3817E-03 6.8559E-03 6.4066E-03 6.0172E-03 5.6744E-03 5.3749E-03 4.2700E-03 3.5644E-03 3.0718E-03 2.4225E-03 2.0108E-03 1.4321E-03 1.1226E-03 7.9575E-04 6.2335E-04 5.1586E-04 4.4164E-04 3.4512E-04 2.8382E-04 1.9822E-04 1.5343E-04 1.0667E-04 8.2337E-05 6.7328E-05 5.7077E-05 4.3998E-05 3.5910E-05 2.4818E-05 1.9080E-05 1.3159E-05 1.0101E-05 8.2271E-06 6.9524E-06 5.3316E-06 4.3365E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 3.4978E+03 3.4897E+05 1.3984E+04 1.5556E+03 1.1439E+03 1.3928E+03 2.0563E+03 3.0339E+03 3.3714E+03 3.7608E+03 2.9750E+03 3.4546E+03 2.9930E+03 2.5946E+03 2.7577E+03 2.4761E+03 2.2235E+03 2.3197E+03 1.8288E+03 9.1390E+02 5.2551E+02 3.3158E+02 1.5852E+02 9.1523E+01 2.3926E+02 2.3347E+02 1.7506E+02 2.4092E+02 2.2730E+02 2.1446E+02 2.4794E+02 1.3113E+02 6.1270E+01 2.0604E+01 9.3819E+00 5.0687E+00 3.0549E+00 2.2079E+00 1.1355E+01 7.2253E+00 4.0204E+00 1.3462E+00 6.1603E-01 3.3759E-01 2.0801E-01 1.3919E-01 9.9011E-02 7.3812E-02 5.7077E-02 4.5448E-02 3.7075E-02 3.0865E-02 2.2451E-02 1.9523E-02 1.7157E-02 1.3610E-02 1.2261E-02 1.1735E-02 7.9142E-03 7.3485E-03 6.4018E-03 5.6445E-03 5.0275E-03 4.0899E-03 3.4180E-03 3.2955E-03 2.9182E-03 2.2343E-03 1.7935E-03 1.1778E-03 8.6531E-04 6.7927E-04 5.5712E-04 4.7126E-04 4.0769E-04 3.5910E-04 3.2040E-04 2.8918E-04 2.6342E-04 2.4182E-04 2.2345E-04 2.0764E-04 1.8185E-04 1.6171E-04 1.4557E-04 1.3233E-04 1.2128E-04 1.1192E-04 1.0390E-04 7.6480E-05 6.0472E-05 5.0021E-05 3.7142E-05 2.9547E-05 1.9543E-05 1.4600E-05 9.6948E-06 7.2553E-06 5.7976E-06 4.8291E-06 3.6177E-06 2.8921E-06 1.9266E-06 1.4444E-06 9.6249E-07 7.2187E-07 5.7743E-07 4.8091E-07 3.6077E-07 2.8858E-07 1.9240E-07 1.4427E-07 9.6182E-08 7.2120E-08 5.7709E-08 4.8091E-08 3.6077E-08 2.8855E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 3.1597E-04 4.9359E-04 9.4073E-04 1.4760E-03 2.0643E-03 3.3131E-03 4.5928E-03 4.8757E-03 5.8663E-03 8.2838E-03 1.0520E-02 1.5462E-02 1.9613E-02 2.3180E-02 2.6329E-02 2.9158E-02 3.1730E-02 3.4080E-02 3.6276E-02 3.8306E-02 4.0203E-02 4.2001E-02 4.3631E-02 4.5162E-02 4.7958E-02 5.0421E-02 5.2651E-02 5.4681E-02 5.6544E-02 5.8275E-02 5.9839E-02 6.6296E-02 7.1055E-02 7.4782E-02 8.0207E-02 8.4068E-02 9.0125E-02 9.3753E-02 9.7913E-02 1.0031E-01 1.0187E-01 1.0300E-01 1.0450E-01 1.0547E-01 1.0683E-01 1.0760E-01 1.0843E-01 1.0886E-01 1.0913E-01 1.0933E-01 1.0956E-01 1.0973E-01 1.0996E-01 1.1006E-01 1.1019E-01 1.1026E-01 1.1029E-01 1.1033E-01 1.1036E-01 1.1039E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.3631E-08 2.7763E-06 9.7780E-06 3.9871E-05 7.9275E-05 1.2158E-04 1.6361E-04 2.0428E-04 2.4312E-04 2.7993E-04 3.1474E-04 3.4745E-04 3.7841E-04 4.0769E-04 4.3532E-04 4.6161E-04 5.1020E-04 5.5413E-04 5.9440E-04 6.3134E-04 6.6529E-04 6.9690E-04 7.2586E-04 8.4634E-04 9.3653E-04 1.0077E-03 1.1139E-03 1.1908E-03 1.3166E-03 1.3945E-03 1.4887E-03 1.5449E-03 1.5832E-03 1.6111E-03 1.6497E-03 1.6750E-03 1.7130E-03 1.7343E-03 1.7576E-03 1.7716E-03 1.7799E-03 1.7859E-03 1.7935E-03 1.7985E-03 1.8052E-03 1.8092E-03 1.8128E-03 1.8155E-03 1.8168E-03 1.8178E-03 1.8188E-03 1.8195E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Ba.mat0000644000276300001750000002123613136054446020305 0ustar solebliss00000000000000Ba 1 56 1.000000 8 4 3 3 7 3 3 8 83 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.0622E-03 1.0622E-03 1.0988E-03 1.1367E-03 1.1367E-03 1.2122E-03 1.2928E-03 1.2928E-03 1.5000E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 5.2470E-03 5.2470E-03 5.4320E-03 5.6236E-03 5.6236E-03 5.8033E-03 5.9888E-03 5.9888E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 3.7441E-02 3.7441E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 8.5205E+00 3.2624E+04 1.1491E+01 8.4592E+00 8.4592E+00 8.4225E+00 8.3846E+00 8.3846E+00 8.3107E+00 8.2311E+00 8.2311E+00 8.0162E+00 7.5119E+00 6.5647E+00 5.7271E+00 5.0343E+00 4.8808E+00 4.8808E+00 4.7739E+00 4.6615E+00 4.6615E+00 4.5523E+00 4.4598E+00 4.4598E+00 4.4554E+00 3.5547E+00 2.8973E+00 1.9054E+00 1.3673E+00 7.8671E-01 5.6570E-01 5.6570E-01 5.1220E-01 3.6420E-01 2.7289E-01 1.6861E-01 1.1432E-01 5.5649E-02 3.2981E-02 2.1776E-02 1.5432E-02 1.1501E-02 8.8977E-03 7.0854E-03 5.7754E-03 4.7988E-03 4.0507E-03 3.4642E-03 2.6162E-03 2.3040E-03 2.0443E-03 1.6414E-03 1.4835E-03 1.4213E-03 9.5379E-04 8.8233E-04 7.6155E-04 6.6393E-04 5.8387E-04 4.6171E-04 3.7428E-04 3.5841E-04 3.0957E-04 2.2184E-04 1.6668E-04 9.3801E-05 6.0078E-05 4.1717E-05 3.0653E-05 2.3470E-05 1.8545E-05 1.5019E-05 1.2415E-05 1.0433E-05 8.8889E-06 7.6654E-06 6.6787E-06 5.8675E-06 4.6352E-06 3.7555E-06 3.1039E-06 2.6083E-06 2.2224E-06 1.9164E-06 1.6695E-06 9.3888E-07 6.0078E-07 4.1730E-07 2.3474E-07 1.5024E-07 6.6787E-08 3.7555E-08 1.6690E-08 9.3888E-09 6.0078E-09 4.1730E-09 2.3474E-09 1.5024E-09 6.6787E-10 3.7555E-10 1.6690E-10 9.3888E-11 6.0078E-11 4.1730E-11 2.3474E-11 1.5024E-11 6.6787E-12 3.7555E-12 1.6690E-12 9.3888E-13 6.0078E-13 4.1730E-13 2.3474E-13 1.5024E-13 INCOHERENT SCATTERING CROSS SECTION 6.8629E-03 3.0597E+02 4.2108E-03 7.3935E-03 7.3935E-03 7.7047E-03 8.0206E-03 8.0206E-03 8.6249E-03 9.2573E-03 9.2573E-03 1.0937E-02 1.4897E-02 2.2510E-02 2.9548E-02 3.5801E-02 3.7209E-02 3.7209E-02 3.8235E-02 3.9270E-02 3.9270E-02 4.0213E-02 4.1164E-02 4.1164E-02 4.1221E-02 5.0343E-02 5.8148E-02 7.3409E-02 8.3758E-02 9.5949E-02 1.0108E-01 1.0108E-01 1.0240E-01 1.0586E-01 1.0761E-01 1.0823E-01 1.0682E-01 1.0082E-01 9.4546E-02 8.8965E-02 8.4109E-02 7.9878E-02 7.6172E-02 7.2901E-02 6.9989E-02 6.7370E-02 6.4989E-02 6.2807E-02 5.8983E-02 5.7315E-02 5.5785E-02 5.2984E-02 5.1658E-02 5.1088E-02 4.6264E-02 4.5355E-02 4.3639E-02 4.2068E-02 4.0637E-02 3.8113E-02 3.5933E-02 3.5490E-02 3.4022E-02 3.0847E-02 2.8294E-02 2.3606E-02 2.0391E-02 1.8023E-02 1.6204E-02 1.4748E-02 1.3555E-02 1.2559E-02 1.1717E-02 1.0985E-02 1.0349E-02 9.7923E-03 9.2967E-03 8.8538E-03 8.0908E-03 7.4637E-03 6.9331E-03 6.4770E-03 6.0823E-03 5.7359E-03 5.4333E-03 4.3173E-03 3.6038E-03 3.1048E-03 2.4487E-03 2.0326E-03 1.4476E-03 1.1349E-03 8.0426E-04 6.3016E-04 5.2141E-04 4.4642E-04 3.4872E-04 2.8688E-04 2.0036E-04 1.5506E-04 1.0783E-04 8.3232E-05 6.8059E-05 5.7710E-05 4.4466E-05 3.6297E-05 2.5084E-05 1.9286E-05 1.3300E-05 1.0209E-05 8.3144E-06 7.0296E-06 5.3895E-06 4.3848E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 8.5337E+03 1.4732E+06 4.0233E+04 7.4593E+03 8.5381E+03 7.9465E+03 7.3979E+03 7.8277E+03 6.8414E+03 5.9815E+03 6.2490E+03 4.4905E+03 2.3110E+03 8.6302E+02 4.1879E+02 2.3632E+02 2.0861E+02 6.0473E+02 5.5664E+02 5.1220E+02 6.9682E+02 6.4494E+02 5.9683E+02 6.8892E+02 6.8542E+02 3.2986E+02 1.8304E+02 6.1481E+01 2.7925E+01 9.0205E+00 4.8326E+00 2.8522E+01 2.3957E+01 1.3318E+01 8.1303E+00 3.6862E+00 1.9742E+00 6.2621E-01 2.7702E-01 1.4809E-01 8.9547E-02 5.9033E-02 4.1480E-02 3.0606E-02 2.3470E-02 1.8565E-02 1.5063E-02 1.2483E-02 9.0149E-03 7.8189E-03 6.8578E-03 5.4264E-03 4.8852E-03 4.6747E-03 3.1530E-03 2.9293E-03 2.5554E-03 2.2558E-03 2.0106E-03 1.6374E-03 1.3713E-03 1.3230E-03 1.1740E-03 9.0216E-04 7.2620E-04 4.8018E-04 3.5464E-04 2.7960E-04 2.3009E-04 1.9510E-04 1.6918E-04 1.4923E-04 1.3340E-04 1.2059E-04 1.0998E-04 1.0104E-04 9.3450E-05 8.6916E-05 7.6216E-05 6.7884E-05 6.1130E-05 5.5649E-05 5.1000E-05 4.7098E-05 4.3765E-05 3.2271E-05 2.5553E-05 2.1146E-05 1.5721E-05 1.2511E-05 8.2837E-06 6.1920E-06 4.1121E-06 3.0789E-06 2.4601E-06 2.0488E-06 1.5353E-06 1.2274E-06 8.1785E-07 6.1306E-07 4.0857E-07 3.0640E-07 2.4509E-07 2.0422E-07 1.5313E-07 1.2252E-07 8.1653E-08 6.1262E-08 4.0831E-08 3.0622E-08 2.4500E-08 2.0418E-08 1.5313E-08 1.2248E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 2.0194E-04 3.1333E-04 5.9341E-04 9.3318E-04 1.3174E-03 2.1760E-03 3.1039E-03 3.3126E-03 4.0550E-03 5.9317E-03 7.7224E-03 1.1757E-02 1.5230E-02 1.8221E-02 2.0878E-02 2.3264E-02 2.5430E-02 2.7417E-02 2.9250E-02 3.0947E-02 3.2534E-02 3.3994E-02 3.5345E-02 3.6599E-02 3.8880E-02 4.0923E-02 4.2774E-02 4.4466E-02 4.6001E-02 4.7405E-02 4.8676E-02 5.3982E-02 5.7885E-02 6.0911E-02 6.5384E-02 6.8585E-02 7.3672E-02 7.6698E-02 8.0250E-02 8.2267E-02 8.3627E-02 8.4592E-02 8.5863E-02 8.6696E-02 8.7880E-02 8.8538E-02 8.9240E-02 8.9635E-02 8.9854E-02 9.0029E-02 9.0248E-02 9.0380E-02 9.0599E-02 9.0687E-02 9.0775E-02 9.0862E-02 9.0906E-02 9.0906E-02 9.0950E-02 9.0950E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.4739E-08 2.8091E-06 9.8931E-06 4.0349E-05 8.0294E-05 1.2318E-04 1.6585E-04 2.0720E-04 2.4667E-04 2.8416E-04 3.1964E-04 3.5301E-04 3.8450E-04 4.1441E-04 4.4291E-04 4.6966E-04 5.1921E-04 5.6438E-04 6.0604E-04 6.4375E-04 6.7884E-04 7.1129E-04 7.4155E-04 8.6653E-04 9.6125E-04 1.0362E-03 1.1489E-03 1.2309E-03 1.3664E-03 1.4520E-03 1.5563E-03 1.6195E-03 1.6624E-03 1.6945E-03 1.7383E-03 1.7677E-03 1.8120E-03 1.8374E-03 1.8650E-03 1.8813E-03 1.8914E-03 1.8988E-03 1.9080E-03 1.9142E-03 1.9225E-03 1.9273E-03 1.9317E-03 1.9348E-03 1.9365E-03 1.9374E-03 1.9387E-03 1.9396E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/La.mat0000644000276300001750000002112613136054446020315 0ustar solebliss00000000000000La 1 57 1.000000 8 4 3 3 7 3 3 7 83 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.1234E-03 1.1234E-03 1.1632E-03 1.2044E-03 1.2044E-03 1.2804E-03 1.3613E-03 1.3613E-03 1.5000E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 5.4827E-03 5.4827E-03 5.6830E-03 5.8906E-03 5.8906E-03 6.0000E-03 6.2663E-03 6.2663E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 3.8925E-02 3.8925E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 8.7359E+00 1.0076E+03 1.0752E+01 8.6058E+00 8.6058E+00 8.5632E+00 8.5191E+00 8.5191E+00 8.4396E+00 8.3544E+00 8.3544E+00 8.2026E+00 7.6737E+00 6.6896E+00 5.8441E+00 5.1331E+00 4.8383E+00 4.8383E+00 4.7245E+00 4.6086E+00 4.6086E+00 4.5479E+00 4.4091E+00 4.4091E+00 3.6379E+00 2.9698E+00 1.9527E+00 1.4038E+00 8.1159E-01 5.5016E-01 5.5016E-01 5.2805E-01 3.7566E-01 2.8172E-01 1.7441E-01 1.1831E-01 5.7618E-02 3.4159E-02 2.2568E-02 1.5998E-02 1.1922E-02 9.2258E-03 7.3524E-03 5.9959E-03 4.9811E-03 4.2032E-03 3.5946E-03 2.7156E-03 2.3919E-03 2.1223E-03 1.7038E-03 1.5399E-03 1.4753E-03 9.9021E-04 9.1603E-04 7.9067E-04 6.8933E-04 6.0622E-04 4.7941E-04 3.8867E-04 3.7220E-04 3.2149E-04 2.3035E-04 1.7307E-04 9.7417E-05 6.2387E-05 4.3324E-05 3.1835E-05 2.4374E-05 1.9258E-05 1.5599E-05 1.2894E-05 1.0834E-05 9.2301E-06 7.9598E-06 6.9323E-06 6.0956E-06 4.8167E-06 3.9006E-06 3.2238E-06 2.7088E-06 2.3082E-06 1.9900E-06 1.7337E-06 9.7504E-07 6.2387E-07 4.3341E-07 2.4378E-07 1.5603E-07 6.9323E-08 3.9006E-08 1.7337E-08 9.7504E-09 6.2387E-09 4.3337E-09 2.4378E-09 1.5603E-09 6.9323E-10 3.9006E-10 1.7337E-10 9.7504E-11 6.2387E-11 4.3337E-11 2.4378E-11 1.5603E-11 6.9323E-12 3.9006E-12 1.7337E-12 9.7504E-13 6.2387E-13 4.3337E-13 2.4378E-13 1.5603E-13 INCOHERENT SCATTERING CROSS SECTION 6.8846E-03 2.9920E+01 3.8766E-03 7.9728E-03 7.9728E-03 8.3195E-03 8.6708E-03 8.6708E-03 9.2951E-03 9.9498E-03 9.9498E-03 1.1103E-02 1.5122E-02 2.2778E-02 2.9828E-02 3.6149E-02 3.8902E-02 3.8902E-02 3.9984E-02 4.1082E-02 4.1082E-02 4.1655E-02 4.3007E-02 4.3007E-02 5.0811E-02 5.8528E-02 7.3702E-02 8.4107E-02 9.6333E-02 1.0227E-01 1.0227E-01 1.0279E-01 1.0626E-01 1.0804E-01 1.0869E-01 1.0734E-01 1.0132E-01 9.5032E-02 8.9451E-02 8.4584E-02 8.0330E-02 7.6607E-02 7.3329E-02 7.0407E-02 6.7774E-02 6.5378E-02 6.3186E-02 5.9343E-02 5.7661E-02 5.6115E-02 5.3299E-02 5.1982E-02 5.1418E-02 4.6519E-02 4.5604E-02 4.3895E-02 4.2331E-02 4.0895E-02 3.8349E-02 3.6157E-02 3.5715E-02 3.4245E-02 3.1048E-02 2.8471E-02 2.3754E-02 2.0520E-02 1.8139E-02 1.6306E-02 1.4840E-02 1.3639E-02 1.2638E-02 1.1788E-02 1.1055E-02 1.0414E-02 9.8544E-03 9.3558E-03 8.9093E-03 8.1419E-03 7.5089E-03 6.9757E-03 6.5161E-03 6.1216E-03 5.7748E-03 5.4670E-03 4.3441E-03 3.6261E-03 3.1245E-03 2.4643E-03 2.0455E-03 1.4567E-03 1.1419E-03 8.0942E-04 6.3384E-04 5.2459E-04 4.4915E-04 3.5091E-04 2.8870E-04 2.0160E-04 1.5603E-04 1.0852E-04 8.3760E-05 6.8456E-05 5.8051E-05 4.4742E-05 3.6526E-05 2.5241E-05 1.9405E-05 1.3383E-05 1.0275E-05 8.3674E-06 7.0711E-06 5.4236E-06 4.4135E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 9.0784E+03 1.6009E+06 4.3077E+04 6.9930E+03 8.0162E+03 7.4384E+03 6.9020E+03 7.3139E+03 6.4241E+03 5.6447E+03 5.8962E+03 4.7646E+03 2.4564E+03 9.1998E+02 4.4698E+02 2.5267E+02 1.9904E+02 5.7141E+02 5.2382E+02 4.7993E+02 6.5031E+02 6.2734E+02 5.6100E+02 6.4728E+02 3.4917E+02 1.9371E+02 6.5291E+01 2.9698E+01 9.6160E+00 4.6172E+00 2.7075E+01 2.5154E+01 1.3990E+01 8.5711E+00 3.8936E+00 2.0897E+00 6.6505E-01 2.9472E-01 1.5778E-01 9.5509E-02 6.3016E-02 4.4308E-02 3.2712E-02 2.5098E-02 1.9862E-02 1.6119E-02 1.3358E-02 9.6503E-03 8.3760E-03 7.3542E-03 5.8240E-03 5.2372E-03 5.0074E-03 3.3777E-03 3.1386E-03 2.7374E-03 2.4157E-03 2.1533E-03 1.7542E-03 1.4684E-03 1.4164E-03 1.2561E-03 9.6500E-04 7.7691E-04 5.1331E-04 3.7913E-04 2.9884E-04 2.4586E-04 2.0845E-04 1.8074E-04 1.5937E-04 1.4246E-04 1.2876E-04 1.1740E-04 1.0791E-04 9.9801E-05 9.2821E-05 8.1376E-05 7.2445E-05 6.5248E-05 5.9395E-05 5.4453E-05 5.0291E-05 4.6692E-05 3.4436E-05 2.7265E-05 2.2562E-05 1.6774E-05 1.3349E-05 8.8356E-06 6.6028E-06 4.3874E-06 3.2841E-06 2.6247E-06 2.1855E-06 1.6375E-06 1.3093E-06 8.7229E-07 6.5421E-07 4.3571E-07 3.2680E-07 2.6143E-07 2.1785E-07 1.6336E-07 1.3067E-07 8.7099E-08 6.5335E-08 4.3571E-08 3.2667E-08 2.6134E-08 2.1777E-08 1.6332E-08 1.3067E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 2.0944E-04 3.2504E-04 6.1559E-04 9.6767E-04 1.3650E-03 2.2501E-03 3.2043E-03 3.4189E-03 4.1816E-03 6.1061E-03 7.9382E-03 1.2057E-02 1.5603E-02 1.8655E-02 2.1361E-02 2.3793E-02 2.6004E-02 2.8028E-02 2.9897E-02 3.1631E-02 3.3248E-02 3.4740E-02 3.6123E-02 3.7402E-02 3.9725E-02 4.1806E-02 4.3701E-02 4.5435E-02 4.6996E-02 4.8427E-02 4.9727E-02 5.5103E-02 5.9092E-02 6.2213E-02 6.6809E-02 7.0060E-02 7.5220E-02 7.8341E-02 8.1939E-02 8.4020E-02 8.5408E-02 8.6362E-02 8.7662E-02 8.8529E-02 8.9743E-02 9.0394E-02 9.1131E-02 9.1521E-02 9.1781E-02 9.1954E-02 9.2171E-02 9.2301E-02 9.2518E-02 9.2605E-02 9.2735E-02 9.2778E-02 9.2821E-02 9.2821E-02 9.2865E-02 9.2865E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.5318E-08 2.8264E-06 9.9541E-06 4.0601E-05 8.0812E-05 1.2395E-04 1.6687E-04 2.0845E-04 2.4816E-04 2.8588E-04 3.2156E-04 3.5516E-04 3.8676E-04 4.1689E-04 4.4525E-04 4.7256E-04 5.2242E-04 5.6794E-04 6.0956E-04 6.4771E-04 6.8283E-04 7.1534E-04 7.4569E-04 8.7142E-04 9.6637E-04 1.0418E-03 1.1550E-03 1.2373E-03 1.3739E-03 1.4597E-03 1.5647E-03 1.6279E-03 1.6717E-03 1.7038E-03 1.7480E-03 1.7775E-03 1.8222E-03 1.8473E-03 1.8755E-03 1.8920E-03 1.9019E-03 1.9093E-03 1.9189E-03 1.9249E-03 1.9327E-03 1.9379E-03 1.9423E-03 1.9453E-03 1.9470E-03 1.9483E-03 1.9496E-03 1.9505E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Bi.mat0000644000276300001750000002174213136054446020317 0ustar solebliss00000000000000Bi 1 83 1.000000 10 6 3 3 3 3 7 3 3 8 79 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 2.5796E-03 2.5796E-03 2.6330E-03 2.6876E-03 2.6876E-03 3.0000E-03 3.1769E-03 3.1769E-03 3.4268E-03 3.6963E-03 3.6963E-03 3.8447E-03 3.9991E-03 3.9991E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.3419E-02 1.3419E-02 1.5000E-02 1.5711E-02 1.5711E-02 1.6046E-02 1.6387E-02 1.6387E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 9.0526E-02 9.0526E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.2697E+01 5.3485E+01 1.3952E+01 1.2172E+01 1.1584E+01 1.0893E+01 1.0893E+01 1.0829E+01 1.0763E+01 1.0763E+01 1.0391E+01 1.0192E+01 1.0192E+01 9.9453E+00 9.6162E+00 9.6162E+00 9.4025E+00 9.2963E+00 9.2963E+00 9.2963E+00 8.3223E+00 7.4722E+00 6.0976E+00 5.0660E+00 3.8067E+00 3.8067E+00 3.3716E+00 3.2015E+00 3.2015E+00 3.1249E+00 3.0488E+00 3.0488E+00 2.3883E+00 1.4063E+00 9.4058E-01 6.6999E-01 5.0170E-01 3.1526E-01 2.5716E-01 2.5716E-01 2.1791E-01 1.0760E-01 6.4204E-02 4.2833E-02 3.0661E-02 2.3035E-02 1.7936E-02 1.4356E-02 1.1749E-02 9.7905E-03 8.2848E-03 7.1029E-03 5.3873E-03 4.7519E-03 4.2212E-03 3.3968E-03 3.0747E-03 2.9480E-03 1.9858E-03 1.8381E-03 1.5886E-03 1.3867E-03 1.2208E-03 9.6691E-04 7.8468E-04 7.5154E-04 6.4956E-04 4.6621E-04 3.5070E-04 1.9757E-04 1.2656E-04 8.7949E-05 6.4636E-05 4.9478E-05 3.9104E-05 3.1670E-05 2.6186E-05 2.2004E-05 1.8751E-05 1.6169E-05 1.4086E-05 1.2380E-05 9.7804E-06 7.9246E-06 6.5472E-06 5.5011E-06 4.6885E-06 4.0430E-06 3.5214E-06 1.9809E-06 1.2679E-06 8.8035E-07 4.9536E-07 3.1698E-07 1.4086E-07 7.9246E-08 3.5214E-08 1.9809E-08 1.2679E-08 8.8035E-09 4.9536E-09 3.1698E-09 1.4086E-09 7.9246E-10 3.5214E-10 1.9809E-10 1.2679E-10 8.8035E-11 4.9536E-11 3.1698E-11 1.4086E-11 7.9246E-12 3.5214E-12 1.9809E-12 1.2679E-12 8.8035E-13 4.9536E-13 3.1698E-13 INCOHERENT SCATTERING CROSS SECTION 3.4984E-03 3.0919E-03 1.2952E-03 6.4895E-03 9.5470E-03 1.2985E-02 1.2985E-02 1.3293E-02 1.3607E-02 1.3607E-02 1.5374E-02 1.6333E-02 1.6333E-02 1.7699E-02 1.9071E-02 1.9071E-02 1.9761E-02 2.0610E-02 2.0610E-02 2.0616E-02 2.5411E-02 2.9912E-02 3.8211E-02 4.5502E-02 5.5472E-02 5.5472E-02 5.9334E-02 6.0919E-02 6.0919E-02 6.1639E-02 6.2359E-02 6.2359E-02 6.9074E-02 8.2301E-02 9.0254E-02 9.4865E-02 9.7458E-02 9.9389E-02 9.9418E-02 9.9418E-02 9.9130E-02 9.5066E-02 8.9908E-02 8.4995E-02 8.0600E-02 7.6729E-02 7.3310E-02 7.0270E-02 6.7546E-02 6.5087E-02 6.2849E-02 6.0800E-02 5.7173E-02 5.5559E-02 5.4057E-02 5.1344E-02 5.0112E-02 4.9594E-02 4.4925E-02 4.4041E-02 4.2393E-02 4.0891E-02 3.9517E-02 3.7077E-02 3.4955E-02 3.4522E-02 3.3092E-02 3.0010E-02 2.7534E-02 2.2981E-02 1.9852E-02 1.7549E-02 1.5777E-02 1.4359E-02 1.3201E-02 1.2230E-02 1.1409E-02 1.0700E-02 1.0080E-02 9.5355E-03 9.0542E-03 8.6220E-03 7.8814E-03 7.2676E-03 6.7518E-03 6.3080E-03 5.9247E-03 5.5876E-03 5.2908E-03 4.2044E-03 3.5099E-03 3.0229E-03 2.3849E-03 1.9794E-03 1.4097E-03 1.1054E-03 7.8353E-04 6.1351E-04 5.0775E-04 4.3484E-04 3.3975E-04 2.7941E-04 1.9515E-04 1.5103E-04 1.0501E-04 8.1062E-05 6.6279E-05 5.6193E-05 4.3312E-05 3.5358E-05 2.4431E-05 1.8783E-05 1.2953E-05 9.9447E-06 8.0975E-06 6.8469E-06 5.2504E-06 4.2706E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 5.4291E+03 4.9123E+05 2.1069E+04 2.4555E+03 1.3359E+03 7.6163E+02 1.7714E+03 1.8082E+03 1.8460E+03 2.5710E+03 2.0428E+03 1.7636E+03 2.0376E+03 1.6918E+03 1.4048E+03 1.4887E+03 1.3550E+03 1.2336E+03 1.2878E+03 1.2870E+03 7.4952E+02 4.7807E+02 2.3172E+02 1.3089E+02 6.1034E+01 1.5215E+02 1.1253E+02 9.9418E+01 1.3835E+02 1.3156E+02 1.2512E+02 1.4463E+02 8.7055E+01 3.0027E+01 1.3921E+01 7.6134E+00 4.6337E+00 2.1071E+00 1.4999E+00 7.0226E+00 5.4204E+00 1.8797E+00 8.7920E-01 4.8924E-01 3.0517E-01 2.0624E-01 1.4789E-01 1.1096E-01 8.6277E-02 6.9030E-02 5.6538E-02 4.7217E-02 3.4502E-02 3.0056E-02 2.6456E-02 2.1031E-02 1.8953E-02 1.8140E-02 1.2238E-02 1.1362E-02 9.8922E-03 8.7171E-03 7.7617E-03 6.3117E-03 5.2706E-03 5.0804E-03 4.4951E-03 3.4363E-03 2.7546E-03 1.8028E-03 1.3210E-03 1.0348E-03 8.4721E-04 7.1552E-04 6.1841E-04 5.4406E-04 4.8499E-04 4.3744E-04 3.9825E-04 3.6540E-04 3.3744E-04 3.1353E-04 2.7436E-04 2.4385E-04 2.1938E-04 1.9933E-04 1.8264E-04 1.6849E-04 1.5639E-04 1.1498E-04 9.0888E-05 7.5125E-05 5.5760E-05 4.4349E-05 2.9307E-05 2.1892E-05 1.4532E-05 1.0878E-05 8.6911E-06 7.2359E-06 5.4204E-06 4.3340E-06 2.8874E-06 2.1644E-06 1.4423E-06 1.0815E-06 8.6508E-07 7.2100E-07 5.4060E-07 4.3254E-07 2.8817E-07 2.1618E-07 1.4411E-07 1.0809E-07 8.6479E-08 7.2071E-08 5.4031E-08 4.3225E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 3.8730E-04 6.1065E-04 1.1778E-03 1.8552E-03 2.5880E-03 4.0918E-03 5.5789E-03 5.9046E-03 7.0337E-03 9.7225E-03 1.2146E-02 1.7397E-02 2.1794E-02 2.5584E-02 2.8932E-02 3.1929E-02 3.4667E-02 3.7174E-02 3.9508E-02 4.1669E-02 4.3715E-02 4.5617E-02 4.7375E-02 4.9046E-02 5.2043E-02 5.4694E-02 5.7115E-02 5.9334E-02 6.1351E-02 6.3195E-02 6.4895E-02 7.1840E-02 7.6998E-02 8.1004E-02 8.6882E-02 9.1032E-02 9.7574E-02 1.0146E-01 1.0596E-01 1.0855E-01 1.1022E-01 1.1143E-01 1.1305E-01 1.1409E-01 1.1558E-01 1.1639E-01 1.1728E-01 1.1775E-01 1.1806E-01 1.1826E-01 1.1855E-01 1.1873E-01 1.1896E-01 1.1907E-01 1.1921E-01 1.1927E-01 1.1933E-01 1.1936E-01 1.1939E-01 1.1942E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.2244E-08 2.7330E-06 9.6190E-06 3.9191E-05 7.7949E-05 1.1950E-04 1.6080E-04 2.0068E-04 2.3878E-04 2.7488E-04 3.0892E-04 3.4119E-04 3.7116E-04 3.9998E-04 4.2706E-04 4.5271E-04 4.9997E-04 5.4320E-04 5.8239E-04 6.1812E-04 6.5126E-04 6.8180E-04 7.1033E-04 8.2704E-04 9.1464E-04 9.8352E-04 1.0861E-03 1.1602E-03 1.2809E-03 1.3558E-03 1.4463E-03 1.4999E-03 1.5362E-03 1.5627E-03 1.5993E-03 1.6232E-03 1.6590E-03 1.6792E-03 1.7008E-03 1.7137E-03 1.7215E-03 1.7270E-03 1.7342E-03 1.7388E-03 1.7449E-03 1.7486E-03 1.7518E-03 1.7541E-03 1.7555E-03 1.7564E-03 1.7572E-03 1.7578E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Se.mat0000644000276300001750000001774013136054446020337 0ustar solebliss00000000000000Se 1 34 1.000000 5 4 3 3 9 86 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.4358E-03 1.4358E-03 1.4559E-03 1.4762E-03 1.4762E-03 1.5000E-03 1.6539E-03 1.6539E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.2658E-02 1.2658E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 5.5592E+00 8.5766E+01 6.4227E+00 5.2900E+00 5.2900E+00 5.2759E+00 5.2617E+00 5.2617E+00 5.2457E+00 5.1382E+00 5.1382E+00 4.8979E+00 4.2336E+00 3.6769E+00 3.2178E+00 2.8303E+00 2.2072E+00 1.7435E+00 1.3095E+00 1.3095E+00 1.0563E+00 7.2134E-01 4.0735E-01 2.5962E-01 1.7938E-01 1.3179E-01 8.0387E-02 5.4379E-02 2.6030E-02 1.5162E-02 9.9066E-03 6.9740E-03 5.1724E-03 3.9873E-03 3.1666E-03 2.5748E-03 2.1342E-03 1.7976E-03 1.5349E-03 1.1564E-03 1.0174E-03 9.0186E-04 7.2276E-04 6.5270E-04 6.2509E-04 4.1856E-04 3.8708E-04 3.3391E-04 2.9096E-04 2.5576E-04 2.0211E-04 1.6382E-04 1.5688E-04 1.3551E-04 9.7034E-05 7.2859E-05 4.0994E-05 2.6244E-05 1.8220E-05 1.3393E-05 1.0250E-05 8.0997E-06 6.5614E-06 5.4227E-06 4.5563E-06 3.8821E-06 3.3474E-06 2.9165E-06 2.5634E-06 2.0249E-06 1.6405E-06 1.3560E-06 1.1394E-06 9.7089E-07 8.3666E-07 7.2905E-07 4.1009E-07 2.6244E-07 1.8228E-07 1.0250E-07 6.5606E-08 2.9157E-08 1.6405E-08 7.2897E-09 4.1002E-09 2.6244E-09 1.8228E-09 1.0250E-09 6.5606E-10 2.9157E-10 1.6405E-10 7.2897E-11 4.1002E-11 2.6244E-11 1.8228E-11 1.0250E-11 6.5606E-12 2.9157E-12 1.6405E-12 7.2897E-13 4.1002E-13 2.6244E-13 1.8228E-13 1.0250E-13 6.5606E-14 INCOHERENT SCATTERING CROSS SECTION 5.3914E-03 1.7119E-02 1.9405E-03 9.6784E-03 9.6784E-03 9.8827E-03 1.0090E-02 1.0090E-02 1.0334E-02 1.1905E-02 1.1905E-02 1.5437E-02 2.5008E-02 3.3413E-02 4.0742E-02 4.7271E-02 5.8643E-02 6.8291E-02 7.9014E-02 7.9014E-02 8.6564E-02 9.8539E-02 1.1189E-01 1.1822E-01 1.2089E-01 1.2165E-01 1.2043E-01 1.1768E-01 1.0967E-01 1.0212E-01 9.5610E-02 9.0073E-02 8.5336E-02 8.1226E-02 7.7614E-02 7.4415E-02 7.1559E-02 6.8985E-02 6.6644E-02 6.2541E-02 6.0732E-02 5.9059E-02 5.6042E-02 5.4669E-02 5.4089E-02 4.8918E-02 4.7945E-02 4.6133E-02 4.4480E-02 4.2964E-02 4.0281E-02 3.7974E-02 3.7509E-02 3.5962E-02 3.2598E-02 2.9890E-02 2.4940E-02 2.1538E-02 1.9037E-02 1.7115E-02 1.5574E-02 1.4316E-02 1.3263E-02 1.2371E-02 1.1600E-02 1.0929E-02 1.0342E-02 9.8157E-03 9.3505E-03 8.5420E-03 7.8785E-03 7.3195E-03 6.8397E-03 6.4225E-03 6.0587E-03 5.7369E-03 4.5585E-03 3.8050E-03 3.2788E-03 2.5855E-03 2.1462E-03 1.5284E-03 1.1982E-03 8.4963E-04 6.6521E-04 5.5066E-04 4.7149E-04 3.6822E-04 3.0294E-04 2.1157E-04 1.6375E-04 1.1387E-04 8.7861E-05 7.1852E-05 6.0931E-05 4.6943E-05 3.8325E-05 2.6488E-05 2.0364E-05 1.4041E-05 1.0784E-05 8.7785E-06 7.4217E-06 5.6911E-06 4.6302E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 2.3117E+03 5.5978E+05 1.2068E+04 9.7623E+02 4.3435E+03 4.1164E+03 3.9019E+03 5.5889E+03 5.3304E+03 4.3374E+03 4.9101E+03 3.0934E+03 1.1120E+03 5.2145E+02 2.8639E+02 1.7443E+02 7.8861E+01 4.2321E+01 2.1790E+01 1.5749E+02 1.0212E+02 4.7363E+01 1.5444E+01 6.8062E+00 3.5640E+00 2.0875E+00 8.8929E-01 4.5578E-01 1.3454E-01 5.6881E-02 2.9446E-02 1.7374E-02 1.1233E-02 7.7717E-03 5.6644E-03 4.3023E-03 3.3776E-03 2.7212E-03 2.2389E-03 1.6037E-03 1.3927E-03 1.2270E-03 9.7252E-04 8.6717E-04 8.2446E-04 5.5676E-04 5.1870E-04 4.5348E-04 4.0056E-04 3.5747E-04 2.9227E-04 2.4574E-04 2.3727E-04 2.1110E-04 1.6330E-04 1.3225E-04 8.8547E-05 6.6018E-05 5.2412E-05 4.3366E-05 3.6937E-05 3.2139E-05 2.8433E-05 2.5481E-05 2.3079E-05 2.1088E-05 1.9410E-05 1.7976E-05 1.6741E-05 1.4712E-05 1.3126E-05 1.1844E-05 1.0784E-05 9.9072E-06 9.1522E-06 8.5115E-06 6.2937E-06 4.9918E-06 4.1360E-06 3.0797E-06 2.4535E-06 1.6260E-06 1.2157E-06 8.0844E-07 6.0534E-07 4.8385E-07 4.0300E-07 3.0202E-07 2.4154E-07 1.6093E-07 1.2066E-07 8.0387E-08 6.0298E-08 4.8232E-08 4.0193E-08 3.0141E-08 2.4116E-08 1.6077E-08 1.2058E-08 8.0387E-09 6.0275E-09 4.8217E-09 4.0186E-09 3.0134E-09 2.4108E-09 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.5030E-05 1.4938E-04 2.9000E-04 4.6722E-04 6.7561E-04 1.1653E-03 1.7160E-03 1.8411E-03 2.2930E-03 3.4795E-03 4.6524E-03 7.3545E-03 9.7318E-03 1.1814E-02 1.3683E-02 1.5353E-02 1.6878E-02 1.8259E-02 1.9525E-02 2.0676E-02 2.1736E-02 2.2720E-02 2.3643E-02 2.4505E-02 2.6076E-02 2.7495E-02 2.8768E-02 2.9935E-02 3.0995E-02 3.1972E-02 3.2872E-02 3.6540E-02 3.9270E-02 4.1398E-02 4.4548E-02 4.6791E-02 5.0352E-02 5.2480E-02 5.4951E-02 5.6377E-02 5.7316E-02 5.7979E-02 5.8871E-02 5.9451E-02 6.0290E-02 6.0740E-02 6.1236E-02 6.1503E-02 6.1670E-02 6.1785E-02 6.1937E-02 6.2029E-02 6.2166E-02 6.2235E-02 6.2311E-02 6.2349E-02 6.2372E-02 6.2387E-02 6.2410E-02 6.2426E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.0003E-07 2.9677E-06 1.0456E-05 4.2687E-05 8.5039E-05 1.3049E-04 1.7580E-04 2.1973E-04 2.6183E-04 3.0179E-04 3.3970E-04 3.7539E-04 4.0910E-04 4.4121E-04 4.7164E-04 5.0055E-04 5.5424E-04 6.0305E-04 6.4790E-04 6.8916E-04 7.2722E-04 7.6268E-04 7.9548E-04 9.3276E-04 1.0372E-03 1.1204E-03 1.2455E-03 1.3377E-03 1.4903E-03 1.5856E-03 1.7038E-03 1.7755E-03 1.8236E-03 1.8594E-03 1.9090E-03 1.9418E-03 1.9906E-03 2.0181E-03 2.0478E-03 2.0653E-03 2.0760E-03 2.0836E-03 2.0943E-03 2.1004E-03 2.1088E-03 2.1142E-03 2.1187E-03 2.1218E-03 2.1241E-03 2.1248E-03 2.1264E-03 2.1271E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Lu.mat0000644000276300001750000002174213136054446020345 0ustar solebliss00000000000000Lu 1 71 1.000000 10 5 3 3 3 3 7 3 3 8 80 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 1.5885E-03 1.5885E-03 1.6137E-03 1.6394E-03 1.6394E-03 2.0000E-03 2.0236E-03 2.0236E-03 2.1402E-03 2.2635E-03 2.2635E-03 2.3746E-03 2.4912E-03 2.4912E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 9.2441E-03 9.2441E-03 1.0000E-02 1.0349E-02 1.0349E-02 1.0606E-02 1.0870E-02 1.0870E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 6.3314E-02 6.3314E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.1035E+01 4.7646E+01 1.2161E+01 1.0563E+01 1.0474E+01 1.0474E+01 1.0448E+01 1.0422E+01 1.0422E+01 1.0064E+01 1.0036E+01 1.0036E+01 9.9093E+00 9.7887E+00 9.7887E+00 9.6868E+00 9.5787E+00 9.5787E+00 9.0590E+00 8.0987E+00 7.2176E+00 6.4397E+00 5.1766E+00 4.5570E+00 4.5570E+00 4.2301E+00 4.0889E+00 4.0889E+00 3.9900E+00 3.8928E+00 3.8928E+00 2.7277E+00 1.9281E+00 1.1393E+00 7.4792E-01 5.2867E-01 3.9616E-01 3.6346E-01 3.6346E-01 2.4874E-01 1.7037E-01 8.3190E-02 4.9563E-02 3.2944E-02 2.3477E-02 1.7568E-02 1.3633E-02 1.0882E-02 8.8869E-03 7.3955E-03 6.2504E-03 5.3515E-03 4.0493E-03 3.5692E-03 3.1695E-03 2.5480E-03 2.3040E-03 2.2076E-03 1.4845E-03 1.3737E-03 1.1862E-03 1.0346E-03 9.1036E-04 7.2060E-04 5.8443E-04 5.5965E-04 4.8342E-04 3.4659E-04 2.6058E-04 1.4676E-04 9.3963E-05 6.5292E-05 4.7980E-05 3.6725E-05 2.9025E-05 2.3511E-05 1.9433E-05 1.6328E-05 1.3915E-05 1.1998E-05 1.0450E-05 9.1864E-06 7.2589E-06 5.8787E-06 4.8599E-06 4.0821E-06 3.4797E-06 2.9996E-06 2.6131E-06 1.4697E-06 9.4066E-07 6.5327E-07 3.6759E-07 2.3518E-07 1.0453E-07 5.8787E-08 2.6131E-08 1.4697E-08 9.4066E-09 6.5327E-09 3.6759E-09 2.3518E-09 1.0453E-09 5.8787E-10 2.6131E-10 1.4697E-10 9.4066E-11 6.5327E-11 3.6759E-11 2.3518E-11 1.0453E-11 5.8787E-12 2.6131E-12 1.4697E-12 9.4066E-13 6.5327E-13 3.6759E-13 2.3518E-13 INCOHERENT SCATTERING CROSS SECTION 4.7429E-03 2.9697E-03 2.0513E-03 7.9542E-03 8.5152E-03 8.5152E-03 8.6727E-03 8.8318E-03 8.8318E-03 1.1045E-02 1.1190E-02 1.1190E-02 1.1905E-02 1.2666E-02 1.2666E-02 1.3354E-02 1.4074E-02 1.4074E-02 1.7137E-02 2.2909E-02 2.8289E-02 3.3228E-02 4.1819E-02 4.6465E-02 4.6465E-02 4.9081E-02 5.0251E-02 5.0251E-02 5.1093E-02 5.1938E-02 5.1938E-02 6.3503E-02 7.4310E-02 8.8422E-02 9.6131E-02 1.0036E-01 1.0267E-01 1.0312E-01 1.0312E-01 1.0412E-01 1.0343E-01 9.8541E-02 9.2827E-02 8.7576E-02 8.2949E-02 7.8890E-02 7.5308E-02 7.2124E-02 6.9285E-02 6.6739E-02 6.4432E-02 6.2321E-02 5.8573E-02 5.6894E-02 5.5327E-02 5.2525E-02 5.1284E-02 5.0768E-02 4.5949E-02 4.5036E-02 4.3349E-02 4.1819E-02 4.0417E-02 3.7916E-02 3.5727E-02 3.5279E-02 3.3806E-02 3.0659E-02 2.8141E-02 2.3487E-02 2.0286E-02 1.7936E-02 1.6122E-02 1.4673E-02 1.3489E-02 1.2497E-02 1.1658E-02 1.0931E-02 1.0298E-02 9.7439E-03 9.2517E-03 8.8112E-03 8.0505E-03 7.4241E-03 6.8975E-03 6.4432E-03 6.0508E-03 5.7101E-03 5.4072E-03 4.2955E-03 3.5864E-03 3.0898E-03 2.4368E-03 2.0224E-03 1.4404E-03 1.1293E-03 8.0058E-04 6.2676E-04 5.1903E-04 4.4435E-04 3.4694E-04 2.8547E-04 1.9939E-04 1.5430E-04 1.0728E-04 8.2811E-05 6.7702E-05 5.7410E-05 4.4228E-05 3.6105E-05 2.4960E-05 1.9192E-05 1.3234E-05 1.0160E-05 8.2743E-06 6.9939E-06 5.3624E-06 4.3643E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 3.1758E+03 3.1497E+05 1.2671E+04 1.4136E+03 1.2539E+03 1.5592E+03 2.3018E+03 3.3954E+03 3.8928E+03 3.4419E+03 3.3421E+03 3.8790E+03 3.3881E+03 2.9597E+03 3.1455E+03 2.8158E+03 2.5215E+03 2.6310E+03 1.7010E+03 8.4773E+02 4.8634E+02 3.0640E+02 1.4614E+02 1.0026E+02 2.6571E+02 2.1680E+02 1.9777E+02 2.7163E+02 2.5584E+02 2.4100E+02 2.7862E+02 1.2188E+02 5.6825E+01 1.9006E+01 8.6288E+00 4.6500E+00 2.7976E+00 2.4072E+00 1.2587E+01 6.8080E+00 3.7585E+00 1.2518E+00 5.7066E-01 3.1172E-01 1.9164E-01 1.2803E-01 9.0934E-02 6.7686E-02 5.2282E-02 4.1609E-02 3.3930E-02 2.8229E-02 2.0506E-02 1.7825E-02 1.5664E-02 1.2424E-02 1.1190E-02 1.0708E-02 7.2210E-03 6.7050E-03 5.8407E-03 5.1490E-03 4.5858E-03 3.7311E-03 3.1201E-03 3.0089E-03 2.6658E-03 2.0416E-03 1.6387E-03 1.0770E-03 7.9163E-04 6.2195E-04 5.1043E-04 4.3161E-04 3.7344E-04 3.2894E-04 2.9366E-04 2.6509E-04 2.4152E-04 2.2176E-04 2.0493E-04 1.9044E-04 1.6683E-04 1.4834E-04 1.3354E-04 1.2143E-04 1.1128E-04 1.0271E-04 9.5374E-05 7.0214E-05 5.5517E-05 4.5915E-05 3.4112E-05 2.7132E-05 1.7949E-05 1.3410E-05 8.9041E-06 6.6635E-06 5.3246E-06 4.4331E-06 3.3228E-06 2.6564E-06 1.7698E-06 1.3268E-06 8.8422E-07 6.6290E-07 5.3039E-07 4.4194E-07 3.3138E-07 2.6509E-07 1.7671E-07 1.3251E-07 8.8353E-08 6.6256E-08 5.3005E-08 4.4159E-08 3.3128E-08 2.6502E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 3.0295E-04 4.7261E-04 8.9930E-04 1.4105E-03 1.9739E-03 3.1773E-03 4.4194E-03 4.6947E-03 5.6607E-03 8.0280E-03 1.0226E-02 1.5096E-02 1.9202E-02 2.2727E-02 2.5838E-02 2.8636E-02 3.1180E-02 3.3513E-02 3.5658E-02 3.7688E-02 3.9547E-02 4.1302E-02 4.2920E-02 4.4435E-02 4.7188E-02 4.9597E-02 5.1800E-02 5.3831E-02 5.5655E-02 5.7342E-02 5.8890E-02 6.5223E-02 6.9939E-02 7.3587E-02 7.8991E-02 8.2777E-02 8.8766E-02 9.2311E-02 9.6441E-02 9.8816E-02 1.0036E-01 1.0147E-01 1.0295E-01 1.0388E-01 1.0525E-01 1.0601E-01 1.0684E-01 1.0725E-01 1.0752E-01 1.0773E-01 1.0797E-01 1.0811E-01 1.0835E-01 1.0845E-01 1.0859E-01 1.0863E-01 1.0869E-01 1.0869E-01 1.0876E-01 1.0876E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.4275E-08 2.7941E-06 9.8369E-06 4.0098E-05 7.9783E-05 1.2232E-04 1.6462E-04 2.0555E-04 2.4465E-04 2.8172E-04 3.1676E-04 3.4969E-04 3.8067E-04 4.1027E-04 4.3815E-04 4.6465E-04 5.1353E-04 5.5793E-04 5.9854E-04 6.3571E-04 6.7013E-04 7.0180E-04 7.3105E-04 8.5255E-04 9.4376E-04 1.0157E-03 1.1231E-03 1.2005E-03 1.3279E-03 1.4067E-03 1.5024E-03 1.5592E-03 1.5981E-03 1.6266E-03 1.6655E-03 1.6913E-03 1.7299E-03 1.7519E-03 1.7757E-03 1.7898E-03 1.7980E-03 1.8042E-03 1.8121E-03 1.8173E-03 1.8242E-03 1.8283E-03 1.8321E-03 1.8345E-03 1.8359E-03 1.8369E-03 1.8380E-03 1.8386E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Ra.mat0000644000276300001750000002265213136054446020330 0ustar solebliss00000000000000Ra 1 88 1.000000 12 4 3 5 3 3 3 3 7 3 3 9 78 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.0576E-03 1.0576E-03 1.1305E-03 1.2084E-03 1.2084E-03 1.5000E-03 2.0000E-03 3.0000E-03 3.1049E-03 3.1049E-03 3.1758E-03 3.2484E-03 3.2484E-03 3.5096E-03 3.7918E-03 3.7918E-03 4.0000E-03 4.4895E-03 4.4895E-03 4.6528E-03 4.8220E-03 4.8220E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 1.5444E-02 1.5444E-02 1.6896E-02 1.8484E-02 1.8484E-02 1.8857E-02 1.9237E-02 1.9237E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.0392E-01 1.0392E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.3029E+01 1.4294E+04 1.6688E+01 1.2962E+01 1.2962E+01 1.2875E+01 1.2781E+01 1.2781E+01 1.2429E+01 1.1811E+01 1.0599E+01 1.0474E+01 1.0474E+01 1.0392E+01 1.0311E+01 1.0311E+01 1.0018E+01 9.7089E+00 9.7089E+00 9.4905E+00 9.0002E+00 9.0002E+00 8.8440E+00 8.6858E+00 8.6858E+00 8.5233E+00 7.6867E+00 6.3252E+00 5.2808E+00 3.5596E+00 3.4477E+00 3.4477E+00 3.1118E+00 2.7976E+00 2.7976E+00 2.7317E+00 2.6670E+00 2.6670E+00 2.5437E+00 1.4968E+00 1.0055E+00 7.2124E-01 5.4113E-01 3.3997E-01 2.3556E-01 2.2082E-01 2.2082E-01 1.1710E-01 7.0019E-02 4.6785E-02 3.3544E-02 2.5239E-02 1.9679E-02 1.5772E-02 1.2922E-02 1.0780E-02 9.1281E-03 7.8270E-03 5.9404E-03 5.2461E-03 4.6687E-03 3.7638E-03 3.4024E-03 3.2585E-03 2.1989E-03 2.0367E-03 1.7608E-03 1.5368E-03 1.3528E-03 1.0718E-03 8.7071E-04 8.3421E-04 7.2157E-04 5.1800E-04 3.8953E-04 2.1957E-04 1.4068E-04 9.7755E-05 7.1858E-05 5.5019E-05 4.3482E-05 3.5223E-05 2.9121E-05 2.4470E-05 2.0851E-05 1.7979E-05 1.5664E-05 1.3767E-05 1.0879E-05 8.8110E-06 7.2817E-06 6.1200E-06 5.2142E-06 4.4948E-06 3.9166E-06 2.2032E-06 1.4100E-06 9.7915E-07 5.5072E-07 3.5250E-07 1.5666E-07 8.8110E-08 3.9166E-08 2.2032E-08 1.4100E-08 9.7915E-09 5.5072E-09 3.5250E-09 1.5666E-09 8.8110E-10 3.9166E-10 2.2032E-10 1.4100E-10 9.7915E-11 5.5072E-11 3.5250E-11 1.5666E-11 8.8110E-12 3.9166E-12 2.2032E-12 1.4100E-12 9.7915E-13 5.5072E-13 3.5250E-13 INCOHERENT SCATTERING CROSS SECTION 4.7879E-03 8.5947E+02 3.0268E-03 5.1342E-03 5.1342E-03 5.5710E-03 6.0321E-03 6.0321E-03 7.7133E-03 1.0628E-02 1.6317E-02 1.6889E-02 1.6889E-02 1.7285E-02 1.7691E-02 1.7691E-02 1.9105E-02 2.0569E-02 2.0569E-02 2.1624E-02 2.4003E-02 2.4003E-02 2.4768E-02 2.5546E-02 2.5546E-02 2.6348E-02 3.0560E-02 3.8100E-02 4.4815E-02 5.8030E-02 5.8989E-02 5.8989E-02 6.1884E-02 6.4744E-02 6.4744E-02 6.5382E-02 6.6023E-02 6.6023E-02 6.7275E-02 7.9664E-02 8.7284E-02 9.1894E-02 9.4532E-02 9.6530E-02 9.6397E-02 9.6237E-02 9.6237E-02 9.2667E-02 8.7764E-02 8.3033E-02 7.8785E-02 7.5042E-02 7.1725E-02 6.8762E-02 6.6103E-02 6.3703E-02 6.1520E-02 5.9519E-02 5.5979E-02 5.4406E-02 5.2945E-02 5.0305E-02 4.9104E-02 4.8598E-02 4.4015E-02 4.3148E-02 4.1537E-02 4.0072E-02 3.8732E-02 3.6349E-02 3.4264E-02 3.3837E-02 3.2430E-02 2.9412E-02 2.6990E-02 2.2525E-02 1.9461E-02 1.7204E-02 1.5464E-02 1.4076E-02 1.2941E-02 1.1990E-02 1.1182E-02 1.0490E-02 9.8821E-03 9.3492E-03 8.8750E-03 8.4514E-03 7.7240E-03 7.1245E-03 6.6183E-03 6.1840E-03 5.8056E-03 5.4779E-03 5.1875E-03 4.1218E-03 3.4397E-03 2.9654E-03 2.3380E-03 1.9405E-03 1.3820E-03 1.0836E-03 7.6787E-04 6.0135E-04 4.9797E-04 4.2630E-04 3.3305E-04 2.7390E-04 1.9130E-04 1.4806E-04 1.0295E-04 7.9451E-05 6.4957E-05 5.5099E-05 4.2443E-05 3.4663E-05 2.3950E-05 1.8413E-05 1.2698E-05 9.7489E-06 7.9398E-06 6.7115E-06 5.1449E-06 4.1857E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 6.1893E+03 4.0647E+05 2.1811E+04 5.5898E+03 5.6698E+03 5.0024E+03 4.4122E+03 4.5054E+03 2.9388E+03 1.6087E+03 6.5570E+02 6.0641E+02 1.7039E+03 1.5242E+03 1.3636E+03 2.0281E+03 1.6438E+03 1.3324E+03 1.5483E+03 1.3572E+03 1.0149E+03 1.0772E+03 9.8691E+02 9.0428E+02 9.4345E+02 8.6565E+02 5.5365E+02 2.7043E+02 1.5357E+02 5.3980E+01 5.0037E+01 1.2179E+02 9.5441E+01 7.4789E+01 1.0527E+02 1.0014E+02 9.5251E+01 1.1004E+02 9.9674E+01 3.5063E+01 1.6404E+01 9.0375E+00 5.5312E+00 2.5346E+00 1.3799E+00 1.2429E+00 5.5099E+00 2.1456E+00 1.0138E+00 5.6888E-01 3.5729E-01 2.4276E-01 1.7484E-01 1.3168E-01 1.0271E-01 8.2389E-02 6.7621E-02 5.6570E-02 4.1439E-02 3.6129E-02 3.1820E-02 2.5324E-02 2.2842E-02 2.1872E-02 1.4774E-02 1.3713E-02 1.1933E-02 1.0508E-02 9.3498E-03 7.5968E-03 6.3492E-03 6.1227E-03 5.4217E-03 4.1397E-03 3.3118E-03 2.1645E-03 1.5840E-03 1.2397E-03 1.0143E-03 8.5606E-04 7.3936E-04 6.5010E-04 5.7950E-04 5.2248E-04 4.7559E-04 4.3616E-04 4.0285E-04 3.7408E-04 3.2718E-04 2.9068E-04 2.6145E-04 2.3753E-04 2.1760E-04 2.0073E-04 1.8627E-04 1.3689E-04 1.0815E-04 8.9389E-05 6.6343E-05 5.2728E-05 3.4850E-05 2.6031E-05 1.7278E-05 1.2930E-05 1.0332E-05 8.6032E-06 6.4451E-06 5.1529E-06 3.4317E-06 2.5727E-06 1.7145E-06 1.2856E-06 1.0282E-06 8.5686E-07 6.4264E-07 5.1396E-07 3.4264E-07 2.5698E-07 1.7132E-07 1.2848E-07 1.0279E-07 8.5659E-08 6.4238E-08 5.1396E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 4.1857E-04 6.6357E-04 1.2891E-03 2.0364E-03 2.8383E-03 4.4560E-03 6.0295E-03 6.3732E-03 7.5570E-03 1.0326E-02 1.2784E-02 1.8091E-02 2.2525E-02 2.6340E-02 2.9708E-02 3.2745E-02 3.5516E-02 3.8074E-02 4.0445E-02 4.2630E-02 4.4708E-02 4.6626E-02 4.8438E-02 5.0117E-02 5.3154E-02 5.5872E-02 5.8350E-02 6.0614E-02 6.2666E-02 6.4557E-02 6.6289E-02 7.3403E-02 7.8679E-02 8.2755E-02 8.8777E-02 9.3013E-02 9.9700E-02 1.0367E-01 1.0828E-01 1.1094E-01 1.1268E-01 1.1393E-01 1.1558E-01 1.1665E-01 1.1819E-01 1.1904E-01 1.1995E-01 1.2043E-01 1.2075E-01 1.2096E-01 1.2126E-01 1.2141E-01 1.2168E-01 1.2181E-01 1.2195E-01 1.2203E-01 1.2205E-01 1.2208E-01 1.2213E-01 1.2216E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.0331E-08 2.6774E-06 9.4265E-06 3.8420E-05 7.6387E-05 1.1705E-04 1.5749E-04 1.9652E-04 2.3380E-04 2.6910E-04 3.0240E-04 3.3384E-04 3.6342E-04 3.9139E-04 4.1777E-04 4.4282E-04 4.8918E-04 5.3127E-04 5.6937E-04 6.0454E-04 6.3678E-04 6.6662E-04 6.9433E-04 8.0783E-04 8.9336E-04 9.6024E-04 1.0604E-03 1.1326E-03 1.2507E-03 1.3237E-03 1.4124E-03 1.4654E-03 1.5014E-03 1.5277E-03 1.5640E-03 1.5882E-03 1.6242E-03 1.6444E-03 1.6668E-03 1.6801E-03 1.6881E-03 1.6937E-03 1.7015E-03 1.7063E-03 1.7127E-03 1.7166E-03 1.7201E-03 1.7225E-03 1.7238E-03 1.7249E-03 1.7257E-03 1.7265E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/F.mat0000644000276300001750000001642013136054446020147 0ustar solebliss00000000000000Fluorine 1 9 1.000000 1 96 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 2.5000E-01 3.0000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.6201E+00 1.9053E+01 1.8748E+00 1.5218E+00 1.4033E+00 1.1491E+00 9.1988E-01 7.3698E-01 5.9783E-01 4.1429E-01 3.0579E-01 1.7339E-01 1.1446E-01 6.0892E-02 3.7435E-02 2.5251E-02 1.8166E-02 1.0682E-02 7.0116E-03 3.2110E-03 1.8271E-03 1.1760E-03 1.1760E-03 8.1940E-04 4.6248E-04 3.6567E-04 2.9635E-04 2.4503E-04 2.0597E-04 1.7555E-04 1.3190E-04 1.1595E-04 1.0274E-04 8.2266E-05 7.4237E-05 7.1067E-05 4.7515E-05 4.3933E-05 3.7881E-05 3.2998E-05 2.9001E-05 2.2917E-05 1.8569E-05 1.7779E-05 1.5351E-05 1.0991E-05 8.2542E-06 4.6438E-06 2.9714E-06 2.0635E-06 1.5161E-06 1.1608E-06 9.1703E-07 7.4300E-07 6.1399E-07 5.1573E-07 4.3965E-07 3.7911E-07 3.3029E-07 2.9020E-07 2.2927E-07 1.8572E-07 1.5348E-07 1.2898E-07 1.0990E-07 9.4746E-08 8.2542E-08 4.6438E-08 2.9714E-08 2.0635E-08 1.1608E-08 7.4269E-09 3.2998E-09 1.8569E-09 8.2542E-10 4.6406E-10 2.9711E-10 2.0632E-10 1.1605E-10 7.4269E-11 3.2998E-11 1.8569E-11 8.2542E-12 4.6406E-12 2.9711E-12 2.0632E-12 1.1605E-12 7.4269E-13 3.2998E-13 1.8569E-13 8.2542E-14 4.6406E-14 2.9711E-14 2.0632E-14 1.1605E-14 7.4269E-15 INCOHERENT SCATTERING CROSS SECTION 6.4315E-03 7.4056E-04 1.8728E-03 1.3535E-02 2.2147E-02 4.0986E-02 5.8990E-02 7.4617E-02 8.7550E-02 1.0628E-01 1.1839E-01 1.3494E-01 1.4340E-01 1.5088E-01 1.5240E-01 1.5136E-01 1.4917E-01 1.4369E-01 1.3801E-01 1.2537E-01 1.1529E-01 1.0719E-01 1.0719E-01 1.0055E-01 9.0213E-02 8.6066E-02 8.2415E-02 7.9172E-02 7.6266E-02 7.3642E-02 6.9063E-02 6.7042E-02 6.5167E-02 6.1802E-02 6.0290E-02 5.9656E-02 5.3918E-02 5.2839E-02 5.0835E-02 4.9005E-02 4.7323E-02 4.4345E-02 4.1810E-02 4.1303E-02 3.9610E-02 3.5899E-02 3.2903E-02 2.7444E-02 2.3701E-02 2.0949E-02 1.8829E-02 1.7136E-02 1.5751E-02 1.4594E-02 1.3611E-02 1.2765E-02 1.2026E-02 1.1376E-02 1.0803E-02 1.0286E-02 9.4017E-03 8.6694E-03 8.0513E-03 7.5251E-03 7.0655E-03 6.6661E-03 6.3111E-03 5.0146E-03 4.1873E-03 3.6072E-03 2.8449E-03 2.3612E-03 1.6816E-03 1.3183E-03 9.3446E-04 7.3191E-04 6.0575E-04 5.1858E-04 4.0510E-04 3.3315E-04 2.3276E-04 1.8014E-04 1.2524E-04 9.6679E-05 7.9055E-05 6.7042E-05 5.1636E-05 4.2158E-05 2.9140E-05 2.2404E-05 1.5450E-05 1.1861E-05 9.6584E-06 8.1654E-06 6.2604E-06 5.0939E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 5.6486E+03 2.7972E+07 3.5632E+04 1.9770E+03 9.0340E+02 2.8760E+02 1.2461E+02 6.4315E+01 3.7214E+01 1.5494E+01 7.7819E+00 2.1840E+00 8.7487E-01 2.3698E-01 9.2971E-02 4.4821E-02 2.4626E-02 9.5633E-03 4.5931E-03 1.2216E-03 4.8403E-04 2.3991E-04 2.3991E-04 1.3725E-04 5.8895E-05 4.2276E-05 3.1762E-05 2.4760E-05 1.9795E-05 1.6122E-05 1.1432E-05 9.9944E-06 8.9297E-06 7.1307E-06 6.2128E-06 5.8134E-06 3.9432E-06 3.6962E-06 3.2411E-06 2.8617E-06 2.5602E-06 2.1154E-06 1.7970E-06 1.7380E-06 1.5555E-06 1.2210E-06 1.0017E-06 6.8658E-07 5.2017E-07 4.1810E-07 3.4900E-07 2.9936E-07 2.6202E-07 2.3292E-07 2.0959E-07 1.9047E-07 1.7456E-07 1.6109E-07 1.4952E-07 1.3954E-07 1.2305E-07 1.1002E-07 9.9500E-08 9.0815E-08 8.3525E-08 7.7312E-08 7.1955E-08 5.3443E-08 4.2507E-08 3.5280E-08 2.6332E-08 2.1003E-08 1.3947E-08 1.0441E-08 6.9451E-09 5.2048E-09 4.1620E-09 3.4678E-09 2.5983E-09 2.0781E-09 1.3849E-09 1.0384E-09 6.9229E-10 5.1890E-10 4.1525E-10 3.4614E-10 2.5948E-10 2.0759E-10 1.3839E-10 1.0378E-10 6.9197E-11 5.1890E-11 4.1525E-11 3.4583E-11 2.5945E-11 2.0756E-11 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 2.0623E-05 3.3437E-05 6.8276E-05 1.1414E-04 1.6939E-04 3.0175E-04 4.5455E-04 4.9005E-04 6.1902E-04 9.5971E-04 1.2999E-03 2.1082E-03 2.8287E-03 3.4741E-03 4.0510E-03 4.5677E-03 5.0368E-03 5.4648E-03 5.8546E-03 6.2097E-03 6.5393E-03 6.8468E-03 7.1352E-03 7.4047E-03 7.9023E-03 8.3461E-03 8.7487E-03 9.1132E-03 9.4492E-03 9.7599E-03 1.0048E-02 1.1221E-02 1.2115E-02 1.2822E-02 1.3884E-02 1.4664E-02 1.5941E-02 1.6724E-02 1.7650E-02 1.8188E-02 1.8543E-02 1.8800E-02 1.9146E-02 1.9368E-02 1.9691E-02 1.9868E-02 2.0062E-02 2.0163E-02 2.0230E-02 2.0274E-02 2.0334E-02 2.0372E-02 2.0423E-02 2.0452E-02 2.0480E-02 2.0496E-02 2.0506E-02 2.0512E-02 2.0521E-02 2.0528E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 1.1001E-07 3.2653E-06 1.1510E-05 4.7008E-05 9.3636E-05 1.4385E-04 1.9393E-04 2.4259E-04 2.8921E-04 3.3378E-04 3.7594E-04 4.1556E-04 4.5328E-04 4.8942E-04 5.2365E-04 5.5599E-04 6.1653E-04 6.7200E-04 7.2303E-04 7.7026E-04 8.1401E-04 8.5490E-04 8.9294E-04 1.0536E-03 1.1782E-03 1.2793E-03 1.4359E-03 1.5535E-03 1.7548E-03 1.8857E-03 2.0499E-03 2.1501E-03 2.2192E-03 2.2702E-03 2.3406E-03 2.3875E-03 2.4576E-03 2.4972E-03 2.5400E-03 2.5656E-03 2.5809E-03 2.5920E-03 2.6062E-03 2.6154E-03 2.6278E-03 2.6351E-03 2.6417E-03 2.6465E-03 2.6490E-03 2.6506E-03 2.6525E-03 2.6538E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Si.mat0000644000276300001750000001666213136054446020345 0ustar solebliss00000000000000Silicon 1 14 1.000000 2 5 93 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 1.8389E-03 1.8389E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 2.5000E-01 3.0000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 2.5280E+00 6.0917E+01 3.1519E+00 2.2857E+00 2.1213E+00 2.1213E+00 2.0484E+00 1.6688E+00 1.4040E+00 1.2083E+00 1.0511E+00 8.0387E-01 6.2225E-01 3.5851E-01 2.3415E-01 1.2548E-01 7.8864E-02 5.3991E-02 3.9175E-02 2.3243E-02 1.5368E-02 7.1252E-03 4.0847E-03 2.6401E-03 2.6401E-03 1.8438E-03 1.0434E-03 8.2576E-04 6.6964E-04 5.5388E-04 4.6572E-04 3.9708E-04 2.9854E-04 2.6245E-04 2.3251E-04 1.8616E-04 1.6804E-04 1.6090E-04 1.0760E-04 9.9489E-05 8.5802E-05 7.4747E-05 6.5685E-05 5.1881E-05 4.2048E-05 4.0268E-05 3.4784E-05 2.4903E-05 1.8693E-05 1.0515E-05 6.7307E-06 4.6744E-06 3.4350E-06 2.6288E-06 2.0773E-06 1.6828E-06 1.3907E-06 1.1686E-06 9.9577E-07 8.5854E-07 7.4790E-07 6.5720E-07 5.1933E-07 4.2070E-07 3.4758E-07 2.9204E-07 2.4894E-07 2.1464E-07 1.8695E-07 1.0517E-07 6.7307E-08 4.6744E-08 2.6288E-08 1.6826E-08 7.4769E-09 4.2070E-09 1.8693E-09 1.0515E-09 6.7307E-10 4.6744E-10 2.6288E-10 1.6826E-10 7.4769E-11 4.2070E-11 1.8693E-11 1.0515E-11 6.7307E-12 4.6744E-12 2.6288E-12 1.6826E-12 7.4769E-13 4.2070E-13 1.8693E-13 1.0515E-13 6.7307E-14 4.6744E-14 2.6288E-14 1.6826E-14 INCOHERENT SCATTERING CROSS SECTION 1.3168E-02 6.6683E-02 5.2041E-03 2.3929E-02 3.0812E-02 3.0812E-02 3.3879E-02 4.9617E-02 6.1346E-02 7.1102E-02 7.9829E-02 9.5075E-02 1.0764E-01 1.2887E-01 1.4019E-01 1.5014E-01 1.5342E-01 1.5378E-01 1.5263E-01 1.4834E-01 1.4319E-01 1.3090E-01 1.2072E-01 1.1242E-01 1.1242E-01 1.0554E-01 9.4753E-02 9.0431E-02 8.6626E-02 8.3237E-02 8.0194E-02 7.7441E-02 7.2629E-02 7.0502E-02 6.8529E-02 6.4992E-02 6.3404E-02 6.2740E-02 5.6715E-02 5.5578E-02 5.3469E-02 5.1547E-02 4.9784E-02 4.6666E-02 4.3999E-02 4.3463E-02 4.1674E-02 3.7759E-02 3.4608E-02 2.8883E-02 2.4937E-02 2.2043E-02 1.9813E-02 1.8031E-02 1.6575E-02 1.5357E-02 1.4323E-02 1.3434E-02 1.2655E-02 1.1971E-02 1.1366E-02 1.0824E-02 9.8934E-03 9.1236E-03 8.4739E-03 7.9186E-03 7.4361E-03 7.0137E-03 6.6406E-03 5.2769E-03 4.4064E-03 3.7953E-03 2.9933E-03 2.4851E-03 1.7694E-03 1.3873E-03 9.8334E-04 7.6999E-04 6.3748E-04 5.4570E-04 4.2627E-04 3.5079E-04 2.4487E-04 1.8955E-04 1.3180E-04 1.0174E-04 8.3174E-05 7.0545E-05 5.4334E-05 4.4364E-05 3.0662E-05 2.3565E-05 1.6257E-05 1.2481E-05 1.0164E-05 8.5919E-06 6.5870E-06 5.3605E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 1.5674E+03 7.1496E+05 9.9005E+03 5.3327E+02 3.0705E+02 3.1906E+03 2.7746E+03 9.7669E+02 4.5136E+02 2.4380E+02 1.4585E+02 6.3790E+01 3.3150E+01 9.8484E+00 4.0890E+00 1.1607E+00 4.6873E-01 2.3072E-01 1.2885E-01 5.1204E-02 2.4980E-02 6.8057E-03 2.7360E-03 1.3691E-03 1.3691E-03 7.8821E-04 3.4093E-04 2.4556E-04 1.8492E-04 1.4433E-04 1.1564E-04 9.4530E-05 6.7235E-05 5.8537E-05 5.1903E-05 4.1271E-05 3.6387E-05 3.4329E-05 2.3265E-05 2.1746E-05 1.9052E-05 1.6839E-05 1.5061E-05 1.2405E-05 1.0505E-05 1.0155E-05 9.0739E-06 7.0946E-06 5.8001E-06 3.9518E-06 2.9826E-06 2.3887E-06 1.9905E-06 1.7047E-06 1.4898E-06 1.3228E-06 1.1892E-06 1.0800E-06 9.8891E-07 9.1215E-07 8.4632E-07 7.8929E-07 6.9537E-07 6.2161E-07 5.6178E-07 5.1247E-07 4.7108E-07 4.3592E-07 4.0569E-07 3.0105E-07 2.3929E-07 1.9851E-07 1.4808E-07 1.1808E-07 7.8371E-08 5.8644E-08 3.9025E-08 2.9226E-08 2.3372E-08 1.9465E-08 1.4591E-08 1.1669E-08 7.7749E-09 5.8301E-09 3.8853E-09 2.9140E-09 2.3308E-09 1.9427E-09 1.4570E-09 1.1656E-09 7.7706E-10 5.8280E-10 3.8853E-10 2.9140E-10 2.3308E-10 1.9422E-10 1.4568E-10 1.1654E-10 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 3.5208E-05 5.6796E-05 1.1504E-04 1.9120E-04 2.8260E-04 5.0115E-04 7.5326E-04 8.1180E-04 1.0242E-03 1.5833E-03 2.1395E-03 3.4565E-03 4.6294E-03 5.6779E-03 6.6106E-03 7.4511E-03 8.2123E-03 8.9049E-03 9.5310E-03 1.0108E-02 1.0642E-02 1.1137E-02 1.1602E-02 1.2038E-02 1.2835E-02 1.3547E-02 1.4193E-02 1.4780E-02 1.5318E-02 1.5814E-02 1.6272E-02 1.8166E-02 1.9583E-02 2.0696E-02 2.2364E-02 2.3543E-02 2.5473E-02 2.6631E-02 2.8025E-02 2.8840E-02 2.9376E-02 2.9762E-02 3.0298E-02 3.0641E-02 3.1134E-02 3.1391E-02 3.1692E-02 3.1863E-02 3.1949E-02 3.2035E-02 3.2120E-02 3.2185E-02 3.2249E-02 3.2292E-02 3.2356E-02 3.2378E-02 3.2378E-02 3.2399E-02 3.2399E-02 3.2421E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 1.1590E-07 3.4380E-06 1.2113E-05 4.9446E-05 9.8527E-05 1.5134E-04 2.0404E-04 2.5516E-04 3.0426E-04 3.5101E-04 3.9518E-04 4.3699E-04 4.7666E-04 5.1440E-04 5.5021E-04 5.8430E-04 6.4755E-04 7.0545E-04 7.5884E-04 8.0794E-04 8.5361E-04 8.9607E-04 9.3574E-04 1.1021E-03 1.2306E-03 1.3341E-03 1.4926E-03 1.6105E-03 1.8104E-03 1.9394E-03 2.1024E-03 2.2021E-03 2.2729E-03 2.3265E-03 2.3994E-03 2.4487E-03 2.5237E-03 2.5666E-03 2.6138E-03 2.6417E-03 2.6588E-03 2.6717E-03 2.6867E-03 2.6974E-03 2.7124E-03 2.7189E-03 2.7274E-03 2.7339E-03 2.7360E-03 2.7382E-03 2.7403E-03 2.7425E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Nb.mat0000644000276300001750000002005013136054446020313 0ustar solebliss00000000000000Nb 1 41 1.000000 5 6 3 3 9 85 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 2.3705E-03 2.3705E-03 2.4171E-03 2.4647E-03 2.4647E-03 2.5786E-03 2.6977E-03 2.6977E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 1.8986E-02 1.8986E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 6.8125E+00 3.8080E+01 7.7689E+00 6.4029E+00 5.9731E+00 5.6568E+00 5.6568E+00 5.6223E+00 5.5868E+00 5.5868E+00 5.4958E+00 5.3975E+00 5.3975E+00 5.1609E+00 4.4641E+00 3.8905E+00 3.4244E+00 2.7276E+00 2.2259E+00 1.4111E+00 1.0326E+00 1.0326E+00 9.6192E-01 5.4358E-01 3.5346E-01 2.4677E-01 1.8162E-01 1.1071E-01 7.4996E-02 3.6228E-02 2.1222E-02 1.3906E-02 9.8072E-03 7.2849E-03 5.6231E-03 4.4705E-03 3.6383E-03 3.0179E-03 2.5435E-03 2.1729E-03 1.6383E-03 1.4416E-03 1.2779E-03 1.0245E-03 9.2562E-04 8.8673E-04 5.9407E-04 5.4937E-04 4.7395E-04 4.1309E-04 3.6326E-04 2.8722E-04 2.3270E-04 2.2278E-04 1.9232E-04 1.3775E-04 1.0352E-04 5.8253E-05 3.7291E-05 2.5895E-05 1.9024E-05 1.4571E-05 1.1512E-05 9.3210E-06 7.7070E-06 6.4755E-06 5.5174E-06 4.7577E-06 4.1446E-06 3.6422E-06 2.8780E-06 2.3316E-06 1.9264E-06 1.6192E-06 1.3794E-06 1.1894E-06 1.0358E-06 5.8279E-07 3.7297E-07 2.5902E-07 1.4571E-07 9.3275E-08 4.1439E-08 2.3309E-08 1.0358E-08 5.8279E-09 3.7297E-09 2.5902E-09 1.4571E-09 9.3210E-10 4.1439E-10 2.3309E-10 1.0358E-10 5.8279E-11 3.7297E-11 2.5902E-11 1.4571E-11 9.3210E-12 4.1439E-12 2.3309E-12 1.0358E-12 5.8279E-13 3.7297E-13 2.5902E-13 1.4571E-13 9.3210E-14 INCOHERENT SCATTERING CROSS SECTION 6.8384E-03 9.4090E-03 2.8756E-03 1.1778E-02 1.6503E-02 1.9893E-02 1.9893E-02 2.0305E-02 2.0723E-02 2.0723E-02 2.1728E-02 2.2778E-02 2.2778E-02 2.5390E-02 3.3518E-02 4.0959E-02 4.7727E-02 5.9167E-02 6.8255E-02 8.4913E-02 9.4442E-02 9.4442E-02 9.6451E-02 1.1013E-01 1.1706E-01 1.2043E-01 1.2173E-01 1.2121E-01 1.1888E-01 1.1123E-01 1.0384E-01 9.7432E-02 9.1914E-02 8.7130E-02 8.2969E-02 7.9326E-02 7.6098E-02 7.3204E-02 7.0588E-02 6.8208E-02 6.4029E-02 6.2181E-02 6.0469E-02 5.7385E-02 5.5985E-02 5.5395E-02 5.0105E-02 4.9109E-02 4.7256E-02 4.5568E-02 4.4022E-02 4.1280E-02 3.8911E-02 3.8431E-02 3.6841E-02 3.3397E-02 3.0627E-02 2.5552E-02 2.2071E-02 1.9511E-02 1.7534E-02 1.5959E-02 1.4669E-02 1.3593E-02 1.2679E-02 1.1894E-02 1.1201E-02 1.0598E-02 1.0060E-02 9.5803E-03 8.7571E-03 8.0765E-03 7.4996E-03 7.0070E-03 6.5792E-03 6.2091E-03 5.8791E-03 4.6722E-03 3.9002E-03 3.3602E-03 2.6498E-03 2.1993E-03 1.5667E-03 1.2283E-03 8.7052E-04 6.8190E-04 5.6432E-04 4.8316E-04 3.7738E-04 3.1048E-04 2.1682E-04 1.6782E-04 1.1667E-04 9.0099E-05 7.3635E-05 6.2447E-05 4.8109E-05 3.9281E-05 2.7146E-05 2.0872E-05 1.4390E-05 1.1052E-05 8.9969E-06 7.6033E-06 5.8325E-06 4.7448E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 4.5925E+03 9.9990E+05 2.3218E+04 1.7799E+03 8.8349E+02 5.7877E+02 2.1753E+03 2.0486E+03 1.9297E+03 2.6881E+03 2.4070E+03 2.1559E+03 2.4644E+03 1.9005E+03 9.1201E+02 5.0942E+02 3.1373E+02 1.4409E+02 7.8107E+01 2.5221E+01 1.2964E+01 8.6664E+01 7.6033E+01 2.5999E+01 1.1765E+01 6.2765E+00 3.7291E+00 1.6205E+00 8.4265E-01 2.5487E-01 1.0935E-01 5.7203E-02 3.4024E-02 2.2139E-02 1.5395E-02 1.1265E-02 8.5821E-03 6.7536E-03 5.4520E-03 4.4934E-03 3.2258E-03 2.8021E-03 2.4683E-03 1.9564E-03 1.7462E-03 1.6613E-03 1.1214E-03 1.0441E-03 9.1205E-04 8.0506E-04 7.1804E-04 5.8633E-04 4.9211E-04 4.7493E-04 4.2195E-04 3.2561E-04 2.6323E-04 1.7547E-04 1.3035E-04 1.0326E-04 8.5238E-05 7.2533E-05 6.3011E-05 5.5686E-05 4.9866E-05 4.5134E-05 4.1212E-05 3.7913E-05 3.5100E-05 3.2669E-05 2.8689E-05 2.5571E-05 2.3063E-05 2.1001E-05 1.9271E-05 1.7812E-05 1.6548E-05 1.2225E-05 9.6905E-06 8.0311E-06 5.9751E-06 4.7577E-06 3.1522E-06 2.3568E-06 1.5660E-06 1.1732E-06 9.3729E-07 7.8043E-07 5.8506E-07 4.6787E-07 3.1172E-07 2.3367E-07 1.5576E-07 1.1680E-07 9.3405E-08 7.7848E-08 5.8383E-08 4.6702E-08 3.1133E-08 2.3348E-08 1.5563E-08 1.1674E-08 9.3405E-09 7.7848E-09 5.8370E-09 4.6696E-09 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.2996E-04 2.0286E-04 3.8911E-04 6.2065E-04 8.8997E-04 1.5153E-03 2.2116E-03 2.3691E-03 2.9359E-03 4.4105E-03 5.8545E-03 9.1525E-03 1.2037E-02 1.4545E-02 1.6788E-02 1.8811E-02 2.0639E-02 2.2317E-02 2.3847E-02 2.5260E-02 2.6557E-02 2.7749E-02 2.8864E-02 2.9908E-02 3.1813E-02 3.3525E-02 3.5074E-02 3.6487E-02 3.7770E-02 3.8950E-02 4.0039E-02 4.4447E-02 4.7714E-02 5.0261E-02 5.4027E-02 5.6698E-02 6.0956E-02 6.3504E-02 6.6440E-02 6.8190E-02 6.9292E-02 7.0135E-02 7.1172E-02 7.1885E-02 7.2857E-02 7.3440E-02 7.4024E-02 7.4348E-02 7.4542E-02 7.4672E-02 7.4866E-02 7.4996E-02 7.5126E-02 7.5255E-02 7.5320E-02 7.5385E-02 7.5385E-02 7.5385E-02 7.5450E-02 7.5450E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.0252E-07 3.0412E-06 1.0715E-05 4.3727E-05 8.7052E-05 1.3359E-04 1.8000E-04 2.2492E-04 2.6790E-04 3.0873E-04 3.4743E-04 3.8393E-04 4.1828E-04 4.5101E-04 4.8200E-04 5.1149E-04 5.6607E-04 6.1578E-04 6.6116E-04 7.0329E-04 7.4153E-04 7.7783E-04 8.1089E-04 9.4960E-04 1.0546E-03 1.1382E-03 1.2640E-03 1.3560E-03 1.5090E-03 1.6056E-03 1.7235E-03 1.7948E-03 1.8441E-03 1.8798E-03 1.9297E-03 1.9627E-03 2.0126E-03 2.0405E-03 2.0716E-03 2.0898E-03 2.1008E-03 2.1086E-03 2.1196E-03 2.1261E-03 2.1352E-03 2.1403E-03 2.1455E-03 2.1488E-03 2.1507E-03 2.1514E-03 2.1533E-03 2.1539E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Am.mat0000644000276300001750000002255213136054446020322 0ustar solebliss00000000000000Am 1 95 1.000000 13 4 3 3 4 3 3 3 3 5 3 3 8 78 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.1357E-03 1.1357E-03 1.2662E-03 1.4118E-03 1.4118E-03 1.5000E-03 1.6171E-03 1.6171E-03 2.0000E-03 3.0000E-03 3.8869E-03 3.8869E-03 4.0000E-03 4.0921E-03 4.0921E-03 4.3701E-03 4.6670E-03 4.6670E-03 5.0000E-03 5.7102E-03 5.7102E-03 6.0000E-03 6.1205E-03 6.1205E-03 8.0000E-03 1.0000E-02 1.5000E-02 1.8504E-02 1.8504E-02 2.0000E-02 2.2944E-02 2.2944E-02 2.3355E-02 2.3773E-02 2.3773E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.2503E-01 1.2503E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.4234E+01 6.3448E+01 1.5655E+01 1.4075E+01 1.4075E+01 1.3927E+01 1.3751E+01 1.3751E+01 1.3637E+01 1.3483E+01 1.3483E+01 1.2990E+01 1.1675E+01 1.0570E+01 1.0570E+01 1.0436E+01 1.0329E+01 1.0329E+01 1.0013E+01 9.6875E+00 9.6875E+00 9.3406E+00 8.6593E+00 8.6593E+00 8.4016E+00 8.2975E+00 8.2975E+00 6.9051E+00 5.7803E+00 3.9394E+00 3.1243E+00 3.1243E+00 2.8493E+00 2.4060E+00 2.4060E+00 2.3524E+00 2.2995E+00 2.2995E+00 1.6821E+00 1.1298E+00 8.1761E-01 6.1668E-01 3.8750E-01 2.6882E-01 1.8473E-01 1.8473E-01 1.3503E-01 8.0969E-02 5.4179E-02 3.8923E-02 2.9356E-02 2.2943E-02 1.8427E-02 1.5123E-02 1.2633E-02 1.0711E-02 9.1971E-03 6.9951E-03 6.1792E-03 5.4977E-03 4.4335E-03 4.0137E-03 3.8477E-03 2.6015E-03 2.4098E-03 2.0844E-03 1.8206E-03 1.6037E-03 1.2719E-03 1.0337E-03 9.9030E-04 8.5659E-04 6.1529E-04 4.6307E-04 2.6139E-04 1.6756E-04 1.1647E-04 8.5627E-05 6.5583E-05 5.1832E-05 4.1996E-05 3.4711E-05 2.9162E-05 2.4851E-05 2.1431E-05 1.8671E-05 1.6409E-05 1.2968E-05 1.0503E-05 8.6816E-06 7.2941E-06 6.2163E-06 5.3591E-06 4.6678E-06 2.6263E-06 1.6808E-06 1.1672E-06 6.5657E-07 4.2020E-07 1.8676E-07 1.0505E-07 4.6703E-08 2.6263E-08 1.6808E-08 1.1672E-08 6.5657E-09 4.2020E-09 1.8676E-09 1.0505E-09 4.6703E-10 2.6263E-10 1.6808E-10 1.1672E-10 6.5657E-11 4.2020E-11 1.8676E-11 1.0505E-11 4.6703E-12 2.6263E-12 1.6808E-12 1.1672E-12 6.5657E-13 4.2020E-13 INCOHERENT SCATTERING CROSS SECTION 4.3284E-03 5.6698E+01 2.4404E-03 5.1089E-03 5.1089E-03 5.8439E-03 6.6598E-03 6.6598E-03 7.1628E-03 7.8318E-03 7.8318E-03 9.9997E-03 1.5478E-02 1.9970E-02 1.9970E-02 2.0515E-02 2.0958E-02 2.0958E-02 2.2271E-02 2.3634E-02 2.3634E-02 2.5123E-02 2.8121E-02 2.8121E-02 2.9285E-02 2.9781E-02 2.9781E-02 3.6718E-02 4.3284E-02 5.6638E-02 6.3675E-02 6.3675E-02 6.6227E-02 7.0612E-02 7.0612E-02 7.1160E-02 7.1702E-02 7.1702E-02 7.8491E-02 8.5998E-02 9.0681E-02 9.3456E-02 9.5710E-02 9.5735E-02 9.4373E-02 9.4373E-02 9.2291E-02 8.7584E-02 8.2973E-02 7.8788E-02 7.5072E-02 7.1777E-02 6.8839E-02 6.6202E-02 6.3817E-02 6.1643E-02 5.9650E-02 5.6113E-02 5.4532E-02 5.3060E-02 5.0415E-02 4.9230E-02 4.8735E-02 4.4151E-02 4.3279E-02 4.1660E-02 4.0187E-02 3.8837E-02 3.6441E-02 3.4365E-02 3.3943E-02 3.2546E-02 2.9517E-02 2.7080E-02 2.2611E-02 1.9534E-02 1.7269E-02 1.5522E-02 1.4130E-02 1.2990E-02 1.2036E-02 1.1226E-02 1.0530E-02 9.9204E-03 9.3852E-03 8.9095E-03 8.4858E-03 7.7549E-03 7.1529E-03 6.6425E-03 6.2064E-03 5.8298E-03 5.4978E-03 5.2080E-03 4.1376E-03 3.4538E-03 2.9756E-03 2.3470E-03 1.9479E-03 1.3872E-03 1.0877E-03 7.7103E-04 6.0380E-04 4.9974E-04 4.2788E-04 3.3423E-04 2.7502E-04 1.9204E-04 1.4863E-04 1.0334E-04 7.9779E-05 6.5211E-05 5.5300E-05 4.2615E-05 3.4786E-05 2.4043E-05 1.8483E-05 1.2747E-05 9.7866E-06 7.9705E-06 6.7366E-06 5.1658E-06 4.2020E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 7.3536E+03 4.1353E+05 2.4733E+04 5.8868E+03 6.2560E+03 5.0871E+03 4.1376E+03 4.1897E+03 3.7115E+03 3.1862E+03 3.2457E+03 2.0822E+03 8.5205E+02 4.7025E+02 1.1006E+03 1.0386E+03 9.7470E+02 1.3756E+03 1.1717E+03 9.9823E+02 1.1632E+03 9.8039E+02 6.9819E+02 7.4006E+02 6.5558E+02 6.2362E+02 6.4988E+02 3.3597E+02 1.9221E+02 6.8382E+01 3.9791E+01 9.3827E+01 7.6435E+01 5.2501E+01 7.4998E+01 7.1567E+01 6.8333E+01 7.8788E+01 4.3755E+01 2.0790E+01 1.1585E+01 7.1504E+00 3.3175E+00 1.8238E+00 1.0007E+00 4.0980E+00 2.5916E+00 1.2490E+00 7.0974E-01 4.4994E-01 3.0822E-01 2.2353E-01 1.6932E-01 1.3270E-01 1.0689E-01 8.8030E-02 7.3842E-02 5.4320E-02 4.7446E-02 4.1861E-02 3.3383E-02 3.0103E-02 2.8815E-02 1.9494E-02 1.8097E-02 1.5744E-02 1.3860E-02 1.2333E-02 1.0024E-02 8.3694E-03 8.0671E-03 7.1353E-03 5.4449E-03 4.3557E-03 2.8394E-03 2.0748E-03 1.6216E-03 1.3253E-03 1.1177E-03 9.6454E-04 8.4735E-04 7.5518E-04 6.8060E-04 6.1916E-04 5.6762E-04 5.2402E-04 4.8660E-04 4.2541E-04 3.7784E-04 3.3968E-04 3.0846E-04 2.8245E-04 2.6065E-04 2.4177E-04 1.7755E-04 1.4023E-04 1.1585E-04 8.5949E-05 6.8308E-05 4.5142E-05 3.3696E-05 2.2370E-05 1.6741E-05 1.3374E-05 1.1134E-05 8.3421E-06 6.6698E-06 4.4424E-06 3.3299E-06 2.2190E-06 1.6640E-06 1.3310E-06 1.1090E-06 8.3174E-07 6.6524E-07 4.4349E-07 3.3250E-07 2.2172E-07 1.6630E-07 1.3302E-07 1.1085E-07 8.3149E-08 6.6524E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 4.7199E-04 7.5486E-04 1.4842E-03 2.3575E-03 3.2863E-03 5.1177E-03 6.8531E-03 7.2297E-03 8.5180E-03 1.1480E-02 1.4058E-02 1.9553E-02 2.4134E-02 2.8022E-02 3.1515E-02 3.4662E-02 3.7561E-02 4.0237E-02 4.2714E-02 4.5018E-02 4.7174E-02 4.9206E-02 5.1113E-02 5.2872E-02 5.6093E-02 5.8967E-02 6.1594E-02 6.3997E-02 6.6177E-02 6.8184E-02 7.0018E-02 7.7574E-02 8.3174E-02 8.7509E-02 9.3902E-02 9.8411E-02 1.0550E-01 1.0971E-01 1.1464E-01 1.1744E-01 1.1930E-01 1.2061E-01 1.2237E-01 1.2348E-01 1.2512E-01 1.2601E-01 1.2693E-01 1.2752E-01 1.2787E-01 1.2809E-01 1.2839E-01 1.2859E-01 1.2881E-01 1.2898E-01 1.2908E-01 1.2921E-01 1.2926E-01 1.2928E-01 1.2931E-01 1.2933E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.0756E-08 2.6882E-06 9.4596E-06 3.8527E-05 7.6608E-05 1.1739E-04 1.5790E-04 1.9702E-04 2.3433E-04 2.6981E-04 3.0301E-04 3.3448E-04 3.6396E-04 3.9196E-04 4.1847E-04 4.4349E-04 4.8958E-04 5.3170E-04 5.6985E-04 6.0479E-04 6.3700E-04 6.6673E-04 6.9423E-04 8.0746E-04 8.9244E-04 9.5909E-04 1.0584E-03 1.1300E-03 1.2467E-03 1.3188E-03 1.4063E-03 1.4583E-03 1.4938E-03 1.5195E-03 1.5550E-03 1.5785E-03 1.6134E-03 1.6335E-03 1.6550E-03 1.6679E-03 1.6756E-03 1.6811E-03 1.6885E-03 1.6932E-03 1.6994E-03 1.7031E-03 1.7066E-03 1.7088E-03 1.7101E-03 1.7110E-03 1.7118E-03 1.7125E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Cd.mat0000644000276300001750000001774013136054446020316 0ustar solebliss00000000000000Cd 1 48 1.000000 5 7 3 3 8 84 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 3.0000E-03 3.5375E-03 3.5375E-03 3.6310E-03 3.7270E-03 3.7270E-03 4.0000E-03 4.0180E-03 4.0180E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 2.6711E-02 2.6711E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 7.8269E+00 4.5411E+01 8.7790E+00 7.4359E+00 6.9966E+00 6.1073E+00 5.6573E+00 5.6573E+00 5.5830E+00 5.5073E+00 5.5073E+00 5.2930E+00 5.2790E+00 5.2790E+00 4.5949E+00 4.0147E+00 3.1543E+00 2.5693E+00 1.6870E+00 1.1759E+00 7.8216E-01 7.8216E-01 6.6108E-01 4.3179E-01 3.0520E-01 2.2634E-01 1.3832E-01 9.3645E-02 4.5451E-02 2.6781E-02 1.7604E-02 1.2440E-02 9.2548E-03 7.1519E-03 5.6903E-03 4.6340E-03 3.8465E-03 3.2438E-03 2.7722E-03 2.0916E-03 1.8413E-03 1.6331E-03 1.3103E-03 1.1840E-03 1.1341E-03 7.6019E-04 7.0310E-04 6.0669E-04 5.2887E-04 4.6512E-04 3.6786E-04 2.9808E-04 2.8538E-04 2.4637E-04 1.7649E-04 1.3265E-04 7.4680E-05 4.7787E-05 3.3188E-05 2.4386E-05 1.8670E-05 1.4754E-05 1.1952E-05 9.8788E-06 8.2984E-06 7.0716E-06 6.0965E-06 5.3117E-06 4.6683E-06 3.6885E-06 2.9877E-06 2.4692E-06 2.0749E-06 1.7679E-06 1.5247E-06 1.3281E-06 7.4680E-07 4.7808E-07 3.3199E-07 1.8675E-07 1.1952E-07 5.3117E-08 2.9877E-08 1.3281E-08 7.4680E-09 4.7808E-09 3.3199E-09 1.8675E-09 1.1952E-09 5.3117E-10 2.9877E-10 1.3281E-10 7.4680E-11 4.7808E-11 3.3199E-11 1.8675E-11 1.1952E-11 5.3117E-12 2.9877E-12 1.3281E-12 7.4680E-13 4.7808E-13 3.3199E-13 1.8675E-13 1.1952E-13 INCOHERENT SCATTERING CROSS SECTION 5.3787E-03 1.0655E-02 2.1199E-03 9.6859E-03 1.3848E-02 2.1665E-02 2.5629E-02 2.5629E-02 2.6300E-02 2.6984E-02 2.6984E-02 2.8902E-02 2.9026E-02 2.9026E-02 3.5545E-02 4.1695E-02 5.2764E-02 6.2144E-02 7.9019E-02 8.9948E-02 9.9698E-02 9.9698E-02 1.0307E-01 1.0993E-01 1.1352E-01 1.1518E-01 1.1534E-01 1.1347E-01 1.0661E-01 9.9752E-02 9.3714E-02 8.8502E-02 8.3989E-02 8.0037E-02 7.6545E-02 7.3448E-02 7.0688E-02 6.8198E-02 6.5926E-02 6.1906E-02 6.0108E-02 5.8432E-02 5.5435E-02 5.4108E-02 5.3556E-02 4.8456E-02 4.7491E-02 4.5702E-02 4.4074E-02 4.2579E-02 3.9924E-02 3.7640E-02 3.7179E-02 3.5648E-02 3.2315E-02 2.9631E-02 2.4724E-02 2.1354E-02 1.8874E-02 1.6966E-02 1.5440E-02 1.4197E-02 1.3152E-02 1.2268E-02 1.1507E-02 1.0838E-02 1.0254E-02 9.7341E-03 9.2734E-03 8.4752E-03 7.8162E-03 7.2591E-03 6.7823E-03 6.3698E-03 6.0055E-03 5.6894E-03 4.5204E-03 3.7736E-03 3.2513E-03 2.5640E-03 2.1284E-03 1.5156E-03 1.1882E-03 8.4216E-04 6.5948E-04 5.4590E-04 4.6753E-04 3.6515E-04 3.0038E-04 2.0979E-04 1.6238E-04 1.1288E-04 8.7162E-05 7.1251E-05 6.0430E-05 4.6549E-05 3.8010E-05 2.6267E-05 2.0191E-05 1.3929E-05 1.0693E-05 8.7055E-06 7.3609E-06 5.6412E-06 4.5912E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 7.3448E+03 1.3710E+06 3.5443E+04 2.9235E+03 1.4663E+03 5.3519E+02 3.5186E+02 1.1465E+03 1.0751E+03 1.0077E+03 1.3838E+03 1.1641E+03 1.1513E+03 1.3211E+03 7.6394E+02 4.7524E+02 2.2217E+02 1.2177E+02 4.0013E+01 1.7936E+01 7.9287E+00 4.9763E+01 3.6885E+01 1.7234E+01 9.3591E+00 5.6358E+00 2.4975E+00 1.3168E+00 4.0726E-01 1.7732E-01 9.3681E-02 5.6144E-02 3.6767E-02 2.5693E-02 1.8868E-02 1.4416E-02 1.1375E-02 9.2038E-03 7.5989E-03 5.4671E-03 4.7519E-03 4.1873E-03 3.3208E-03 2.9652E-03 2.8217E-03 1.9034E-03 1.7717E-03 1.5465E-03 1.3640E-03 1.2154E-03 9.9095E-04 8.3145E-04 8.0252E-04 7.1294E-04 5.4885E-04 4.4246E-04 2.9379E-04 2.1761E-04 1.7197E-04 1.4175E-04 1.2038E-04 1.0452E-04 9.2305E-05 8.2555E-05 7.4680E-05 6.8144E-05 6.2680E-05 5.7965E-05 5.3947E-05 4.7347E-05 4.2178E-05 3.8020E-05 3.4602E-05 3.1752E-05 2.9331E-05 2.7252E-05 2.0116E-05 1.5938E-05 1.3195E-05 9.8145E-06 7.8109E-06 5.1746E-06 3.8679E-06 2.5699E-06 1.9243E-06 1.5381E-06 1.2809E-06 9.5948E-07 7.6716E-07 5.1124E-07 3.8331E-07 2.5543E-07 1.9158E-07 1.5322E-07 1.2766E-07 9.5734E-08 7.6609E-08 5.1065E-08 3.8294E-08 2.5527E-08 1.9147E-08 1.5316E-08 1.2766E-08 9.5734E-09 7.6609E-09 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.6275E-04 2.5278E-04 4.8041E-04 7.5966E-04 1.0802E-03 1.8129E-03 2.6218E-03 2.8051E-03 3.4608E-03 5.1419E-03 6.7662E-03 1.0457E-02 1.3661E-02 1.6425E-02 1.8890E-02 2.1113E-02 2.3127E-02 2.4975E-02 2.6674E-02 2.8243E-02 2.9695E-02 3.1029E-02 3.2267E-02 3.3419E-02 3.5529E-02 3.7420E-02 3.9135E-02 4.0694E-02 4.2113E-02 4.3410E-02 4.4610E-02 4.9480E-02 5.3085E-02 5.5876E-02 6.0055E-02 6.3001E-02 6.7662E-02 7.0501E-02 7.3716E-02 7.5591E-02 7.6823E-02 7.7734E-02 7.8912E-02 7.9662E-02 8.0734E-02 8.1377E-02 8.2019E-02 8.2341E-02 8.2555E-02 8.2716E-02 8.2930E-02 8.3037E-02 8.3198E-02 8.3305E-02 8.3412E-02 8.3466E-02 8.3466E-02 8.3520E-02 8.3520E-02 8.3573E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.9255E-08 2.9432E-06 1.0366E-05 4.2285E-05 8.4162E-05 1.2916E-04 1.7395E-04 2.1729E-04 2.5881E-04 2.9818E-04 3.3547E-04 3.7061E-04 4.0378E-04 4.3528E-04 4.6506E-04 4.9340E-04 5.4590E-04 5.9358E-04 6.3751E-04 6.7716E-04 7.1466E-04 7.4894E-04 7.8055E-04 9.1287E-04 1.0136E-03 1.0929E-03 1.2129E-03 1.3002E-03 1.4443E-03 1.5349E-03 1.6452E-03 1.7111E-03 1.7566E-03 1.7899E-03 1.8354E-03 1.8654E-03 1.9109E-03 1.9366E-03 1.9645E-03 1.9806E-03 1.9908E-03 1.9977E-03 2.0074E-03 2.0133E-03 2.0213E-03 2.0261E-03 2.0304E-03 2.0336E-03 2.0352E-03 2.0363E-03 2.0374E-03 2.0384E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Dy.mat0000644000276300001750000002161613136054446020341 0ustar solebliss00000000000000Dy 1 66 1.000000 10 4 3 3 3 3 6 3 3 8 81 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.2949E-03 1.2949E-03 1.3136E-03 1.3325E-03 1.3325E-03 1.5000E-03 1.6756E-03 1.6756E-03 1.7567E-03 1.8418E-03 1.8418E-03 2.0000E-03 2.0468E-03 2.0468E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 7.7901E-03 7.7901E-03 8.0000E-03 8.5806E-03 8.5806E-03 8.8101E-03 9.0458E-03 9.0458E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 5.3788E-02 5.3788E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.0210E+01 1.0644E+02 1.1536E+01 9.9393E+00 9.9393E+00 9.9210E+00 9.9022E+00 9.9022E+00 9.7355E+00 9.5613E+00 9.5613E+00 9.4863E+00 9.4057E+00 9.4057E+00 9.2426E+00 9.1944E+00 9.1944E+00 8.2494E+00 7.3044E+00 6.4631E+00 5.7331E+00 4.6880E+00 4.6880E+00 4.5842E+00 4.3100E+00 4.3100E+00 4.2075E+00 4.1062E+00 4.1062E+00 3.7319E+00 2.4111E+00 1.7177E+00 1.0125E+00 6.6077E-01 4.6769E-01 4.1729E-01 4.1729E-01 3.5125E-01 2.1987E-01 1.5002E-01 7.3118E-02 4.3508E-02 2.8873E-02 2.0542E-02 1.5347E-02 1.1896E-02 9.4895E-03 7.7454E-03 6.4412E-03 5.4403E-03 4.6555E-03 3.5205E-03 3.1026E-03 2.7549E-03 2.2140E-03 2.0012E-03 1.9171E-03 1.2882E-03 1.1919E-03 1.0289E-03 8.9721E-04 7.8931E-04 6.2470E-04 5.0660E-04 4.8511E-04 4.1900E-04 3.0034E-04 2.2577E-04 1.2711E-04 8.1382E-05 5.6515E-05 4.1543E-05 3.1808E-05 2.5134E-05 2.0360E-05 1.6829E-05 1.4142E-05 1.2048E-05 1.0388E-05 9.0499E-06 7.9529E-06 6.2853E-06 5.0919E-06 4.2062E-06 3.5355E-06 3.0126E-06 2.5975E-06 2.2628E-06 1.2726E-06 8.1456E-07 5.6552E-07 3.1819E-07 2.0364E-07 9.0499E-08 5.0919E-08 2.2625E-08 1.2726E-08 8.1456E-09 5.6553E-09 3.1819E-09 2.0364E-09 9.0499E-10 5.0919E-10 2.2625E-10 1.2726E-10 8.1456E-11 5.6552E-11 3.1819E-11 2.0364E-11 9.0499E-12 5.0919E-12 2.2625E-12 1.2726E-12 8.1456E-13 5.6553E-13 3.1819E-13 2.0364E-13 INCOHERENT SCATTERING CROSS SECTION 5.2661E-03 1.8800E-03 2.3132E-03 7.2747E-03 7.2747E-03 7.4037E-03 7.5342E-03 7.5342E-03 8.6719E-03 9.8615E-03 9.8615E-03 1.0401E-02 1.0966E-02 1.0966E-02 1.2026E-02 1.2337E-02 1.2337E-02 1.8637E-02 2.4819E-02 3.0504E-02 3.5640E-02 4.3619E-02 4.3619E-02 4.4471E-02 4.6769E-02 4.6769E-02 4.7638E-02 4.8511E-02 4.8511E-02 5.1920E-02 6.6670E-02 7.7565E-02 9.1129E-02 9.8318E-02 1.0221E-01 1.0317E-01 1.0317E-01 1.0425E-01 1.0543E-01 1.0451E-01 9.9208E-02 9.3315E-02 8.7974E-02 8.3272E-02 7.9145E-02 7.5527E-02 7.2340E-02 6.9486E-02 6.6901E-02 6.4557E-02 6.2429E-02 5.8677E-02 5.6997E-02 5.5427E-02 5.2612E-02 5.1364E-02 5.0845E-02 4.6028E-02 4.5113E-02 4.3418E-02 4.1877E-02 4.0463E-02 3.7949E-02 3.5773E-02 3.5332E-02 3.3871E-02 3.0712E-02 2.8172E-02 2.3510E-02 2.0308E-02 1.7952E-02 1.6136E-02 1.4687E-02 1.3501E-02 1.2511E-02 1.1666E-02 1.0944E-02 1.0310E-02 9.7540E-03 9.2574E-03 8.8164E-03 8.0604E-03 7.4304E-03 6.9041E-03 6.4520E-03 6.0592E-03 5.7145E-03 5.4107E-03 4.2989E-03 3.5892E-03 3.0926E-03 2.4389E-03 2.0242E-03 1.4416E-03 1.1303E-03 8.0122E-04 6.2741E-04 5.1957E-04 4.4471E-04 3.4732E-04 2.8573E-04 1.9956E-04 1.5446E-04 1.0740E-04 8.2902E-05 6.7781E-05 5.7479E-05 4.4286E-05 3.6151E-05 2.4985E-05 1.9208E-05 1.3245E-05 1.0169E-05 8.2828E-06 7.0005E-06 5.3662E-06 4.3656E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 2.4837E+03 2.0759E+05 9.4129E+03 1.5116E+03 2.1135E+03 3.1484E+03 4.6843E+03 5.4959E+03 5.5404E+03 4.2211E+03 4.8844E+03 4.3737E+03 3.9135E+03 4.1581E+03 3.4573E+03 3.2786E+03 3.4247E+03 1.3964E+03 6.8782E+02 3.9246E+02 2.4622E+02 1.2515E+02 3.3894E+02 3.2227E+02 2.6512E+02 3.6292E+02 3.4009E+02 3.1871E+02 3.6837E+02 2.8643E+02 9.9171E+01 4.5842E+01 1.5150E+01 6.8226E+00 3.6570E+00 2.9792E+00 1.6239E+01 1.2133E+01 5.6886E+00 3.1056E+00 1.0162E+00 4.5842E-01 2.4865E-01 1.5205E-01 1.0113E-01 7.1561E-02 5.3103E-02 4.0913E-02 3.2490E-02 2.6446E-02 2.1970E-02 1.5926E-02 1.3834E-02 1.2150E-02 9.6310E-03 8.6719E-03 8.2976E-03 5.5922E-03 5.1940E-03 4.5282E-03 3.9950E-03 3.5596E-03 2.8968E-03 2.4222E-03 2.3358E-03 2.0697E-03 1.5868E-03 1.2752E-03 8.3976E-04 6.1815E-04 4.8622E-04 3.9913E-04 3.3802E-04 2.9269E-04 2.5790E-04 2.3032E-04 2.0801E-04 1.8956E-04 1.7410E-04 1.6091E-04 1.4961E-04 1.3108E-04 1.1663E-04 1.0499E-04 9.5502E-05 8.7534E-05 8.0826E-05 7.5045E-05 5.5255E-05 4.3730E-05 3.6177E-05 2.6879E-05 2.1383E-05 1.4149E-05 1.0573E-05 7.0190E-06 5.2550E-06 4.1988E-06 3.4969E-06 2.6201E-06 2.0950E-06 1.3957E-06 1.0462E-06 6.9709E-07 5.2291E-07 4.1840E-07 3.4851E-07 2.6134E-07 2.0905E-07 1.3938E-07 1.0451E-07 6.9671E-08 5.2254E-08 4.1803E-08 3.4836E-08 2.6127E-08 2.0901E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 2.6716E-04 4.1570E-04 7.8874E-04 1.2370E-03 1.7352E-03 2.8152E-03 3.9468E-03 4.1988E-03 5.0877E-03 7.2943E-03 9.3649E-03 1.3968E-02 1.7877E-02 2.1242E-02 2.4215E-02 2.6883E-02 2.9310E-02 3.1534E-02 3.3591E-02 3.5499E-02 3.7282E-02 3.8949E-02 4.0469E-02 4.1914E-02 4.4508E-02 4.6806E-02 4.8918E-02 5.0808E-02 5.2550E-02 5.4144E-02 5.5589E-02 6.1593E-02 6.6040E-02 6.9523E-02 7.4600E-02 7.8232E-02 8.3939E-02 8.7312E-02 9.1277E-02 9.3538E-02 9.5020E-02 9.6095E-02 9.7503E-02 9.8392E-02 9.9727E-02 1.0043E-01 1.0121E-01 1.0165E-01 1.0191E-01 1.0210E-01 1.0232E-01 1.0247E-01 1.0269E-01 1.0280E-01 1.0291E-01 1.0299E-01 1.0302E-01 1.0306E-01 1.0306E-01 1.0310E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.4402E-08 2.7974E-06 9.8467E-06 4.0135E-05 7.9900E-05 1.2252E-04 1.6491E-04 2.0594E-04 2.4511E-04 2.8232E-04 3.1745E-04 3.5058E-04 3.8171E-04 4.1136E-04 4.3952E-04 4.6584E-04 5.1512E-04 5.5960E-04 6.0073E-04 6.3816E-04 6.7263E-04 7.0450E-04 7.3414E-04 8.5681E-04 9.4909E-04 1.0217E-03 1.1311E-03 1.2100E-03 1.3401E-03 1.4209E-03 1.5194E-03 1.5784E-03 1.6184E-03 1.6480E-03 1.6884E-03 1.7155E-03 1.7555E-03 1.7785E-03 1.8033E-03 1.8181E-03 1.8270E-03 1.8333E-03 1.8418E-03 1.8470E-03 1.8544E-03 1.8585E-03 1.8626E-03 1.8652E-03 1.8667E-03 1.8678E-03 1.8689E-03 1.8696E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Au.mat0000644000276300001750000002205213136054446020325 0ustar solebliss00000000000000 Gold 1 79 1.000000 10 6 3 3 3 3 7 3 3 9 79 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 2.2057E-03 2.2057E-03 2.2480E-03 2.2911E-03 2.2911E-03 2.5069E-03 2.7430E-03 2.7430E-03 3.0000E-03 3.1478E-03 3.1478E-03 3.2834E-03 3.4249E-03 3.4249E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.1919E-02 1.1919E-02 1.2794E-02 1.3734E-02 1.3734E-02 1.4040E-02 1.4353E-02 1.4353E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 8.0725E-02 8.0725E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.2266E+01 4.6931E+01 1.3368E+01 1.1808E+01 1.1267E+01 1.1025E+01 1.1025E+01 1.0975E+01 1.0924E+01 1.0924E+01 1.0678E+01 1.0411E+01 1.0411E+01 1.0111E+01 9.9397E+00 9.9397E+00 9.7873E+00 9.6309E+00 9.6309E+00 9.0072E+00 8.0319E+00 7.1880E+00 5.8458E+00 4.8369E+00 4.0817E+00 4.0817E+00 3.7906E+00 3.5099E+00 3.5099E+00 3.4251E+00 3.3418E+00 3.3418E+00 3.1797E+00 2.2417E+00 1.3230E+00 8.7993E-01 6.2402E-01 4.6718E-01 2.9354E-01 2.8920E-01 2.8920E-01 2.0240E-01 9.9459E-02 5.9314E-02 3.9529E-02 2.8254E-02 2.1196E-02 1.6483E-02 1.3180E-02 1.0777E-02 8.9763E-03 7.5916E-03 6.5045E-03 4.9292E-03 4.3477E-03 3.8631E-03 3.1084E-03 2.8113E-03 2.6939E-03 1.8137E-03 1.6788E-03 1.4503E-03 1.2655E-03 1.1138E-03 8.8208E-04 7.1575E-04 6.8548E-04 5.9232E-04 4.2488E-04 3.1950E-04 1.7999E-04 1.1530E-04 8.0105E-05 5.8856E-05 4.5067E-05 3.5619E-05 2.8853E-05 2.3848E-05 2.0042E-05 1.7076E-05 1.4725E-05 1.2826E-05 1.1273E-05 8.9094E-06 7.2156E-06 5.9620E-06 5.0111E-06 4.2682E-06 3.6812E-06 3.2073E-06 1.8042E-06 1.1545E-06 8.0166E-07 4.5097E-07 2.8865E-07 1.2829E-07 7.2156E-08 3.2073E-08 1.8039E-08 1.1545E-08 8.0166E-09 4.5097E-09 2.8865E-09 1.2829E-09 7.2156E-10 3.2073E-10 1.8039E-10 1.1545E-10 8.0166E-11 4.5097E-11 2.8865E-11 1.2829E-11 7.2156E-12 3.2073E-12 1.8039E-12 1.1545E-12 8.0166E-13 4.5097E-13 2.8865E-13 INCOHERENT SCATTERING CROSS SECTION 3.2684E-03 2.5356E-03 1.2062E-03 6.0660E-03 8.9552E-03 1.0142E-02 1.0142E-02 1.0384E-02 1.0631E-02 1.0631E-02 1.1849E-02 1.3165E-02 1.3165E-02 1.4590E-02 1.5400E-02 1.5400E-02 1.6128E-02 1.6877E-02 1.6877E-02 1.9907E-02 2.4992E-02 2.9871E-02 3.8768E-02 4.6290E-02 5.2405E-02 5.2405E-02 5.4808E-02 5.7235E-02 5.7235E-02 5.8012E-02 5.8795E-02 5.8795E-02 6.0354E-02 7.0535E-02 8.4263E-02 9.2274E-02 9.6829E-02 9.9367E-02 1.0114E-01 1.0117E-01 1.0117E-01 1.0077E-01 9.6462E-02 9.1112E-02 8.6056E-02 8.1573E-02 7.7645E-02 7.4174E-02 7.1077E-02 6.8303E-02 6.5804E-02 6.3534E-02 6.1454E-02 5.7773E-02 5.6135E-02 5.4611E-02 5.1869E-02 5.0631E-02 5.0111E-02 4.5372E-02 4.4474E-02 4.2809E-02 4.1306E-02 3.9943E-02 3.7507E-02 3.5313E-02 3.4855E-02 3.3364E-02 3.0267E-02 2.7810E-02 2.3209E-02 2.0051E-02 1.7724E-02 1.5932E-02 1.4501E-02 1.3330E-02 1.2352E-02 1.1520E-02 1.0805E-02 1.0178E-02 9.6309E-03 9.1448E-03 8.7076E-03 7.9585E-03 7.3379E-03 6.8181E-03 6.3687E-03 5.9804E-03 5.6440E-03 5.3444E-03 4.2468E-03 3.5436E-03 3.0538E-03 2.4083E-03 1.9990E-03 1.4235E-03 1.1163E-03 7.9127E-04 6.1974E-04 5.1304E-04 4.3905E-04 3.4304E-04 2.8217E-04 1.9705E-04 1.5251E-04 1.0603E-04 8.1848E-05 6.6927E-05 5.6746E-05 4.3721E-05 3.5711E-05 2.4674E-05 1.8968E-05 1.3083E-05 1.0044E-05 8.1787E-06 6.9129E-06 5.3016E-06 4.3141E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 4.6412E+03 4.4582E+05 1.8337E+04 2.0769E+03 1.1254E+03 9.0775E+02 9.8266E+02 1.4752E+03 2.2136E+03 2.3466E+03 2.2674E+03 2.1913E+03 2.5288E+03 2.0393E+03 1.8121E+03 1.9228E+03 1.7401E+03 1.5752E+03 1.6425E+03 1.1346E+03 6.5796E+02 4.1795E+02 2.0130E+02 1.1325E+02 7.1697E+01 1.8290E+02 1.5103E+02 1.2474E+02 1.7287E+02 1.6392E+02 1.5544E+02 1.7959E+02 1.6049E+02 7.6497E+01 2.6114E+01 1.2010E+01 6.5368E+00 3.9624E+00 1.7904E+00 1.7461E+00 8.5119E+00 4.8552E+00 1.6636E+00 7.7109E-01 4.2632E-01 2.6462E-01 1.7814E-01 1.2731E-01 9.5256E-02 7.3898E-02 5.9026E-02 4.8277E-02 4.0264E-02 2.9355E-02 2.5551E-02 2.2476E-02 1.7853E-02 1.6085E-02 1.5394E-02 1.0383E-02 9.6404E-03 8.3960E-03 7.3990E-03 6.5861E-03 5.3533E-03 4.4761E-03 4.3171E-03 3.8250E-03 2.9247E-03 2.3429E-03 1.5354E-03 1.1261E-03 8.8299E-04 7.2339E-04 6.1149E-04 5.2863E-04 4.6504E-04 4.1489E-04 3.7423E-04 3.4090E-04 3.1278E-04 2.8896E-04 2.6844E-04 2.3499E-04 2.0891E-04 1.8797E-04 1.7085E-04 1.5654E-04 1.4443E-04 1.3407E-04 9.8633E-05 7.7965E-05 6.4451E-05 4.7849E-05 3.8065E-05 2.5166E-05 1.8797E-05 1.2480E-05 9.3405E-06 7.4632E-06 6.2127E-06 4.6565E-06 3.7209E-06 2.4793E-06 1.8589E-06 1.2386E-06 9.2885E-07 7.4296E-07 6.1913E-07 4.6412E-07 3.7148E-07 2.4756E-07 1.8568E-07 1.2377E-07 9.2824E-08 7.4265E-08 6.1883E-08 4.6412E-08 3.7117E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 3.5956E-04 5.6462E-04 1.0833E-03 1.7033E-03 2.3785E-03 3.7837E-03 5.1915E-03 5.5003E-03 6.5757E-03 9.1670E-03 1.1533E-02 1.6700E-02 2.1023E-02 2.4747E-02 2.8028E-02 3.0972E-02 3.3662E-02 3.6139E-02 3.8401E-02 4.0542E-02 4.2529E-02 4.4394E-02 4.6106E-02 4.7727E-02 5.0662E-02 5.3261E-02 5.5615E-02 5.7755E-02 5.9742E-02 6.1516E-02 6.3197E-02 6.9985E-02 7.4999E-02 7.8913E-02 8.4630E-02 8.8696E-02 9.5056E-02 9.8847E-02 1.0325E-01 1.0576E-01 1.0738E-01 1.0857E-01 1.1013E-01 1.1114E-01 1.1257E-01 1.1337E-01 1.1423E-01 1.1468E-01 1.1499E-01 1.1520E-01 1.1545E-01 1.1563E-01 1.1585E-01 1.1597E-01 1.1609E-01 1.1618E-01 1.1621E-01 1.1624E-01 1.1627E-01 1.1631E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.3162E-08 2.7605E-06 9.7165E-06 3.9594E-05 7.8760E-05 1.2074E-04 1.6250E-04 2.0283E-04 2.4135E-04 2.7789E-04 3.1247E-04 3.4488E-04 3.7545E-04 4.0450E-04 4.3171E-04 4.5770E-04 5.0601E-04 5.4942E-04 5.8917E-04 6.2555E-04 6.5918E-04 6.9037E-04 7.1911E-04 8.3743E-04 9.2640E-04 9.9642E-04 1.1010E-03 1.1762E-03 1.2988E-03 1.3749E-03 1.4663E-03 1.5208E-03 1.5575E-03 1.5841E-03 1.6207E-03 1.6449E-03 1.6807E-03 1.7009E-03 1.7226E-03 1.7354E-03 1.7430E-03 1.7486E-03 1.7559E-03 1.7605E-03 1.7666E-03 1.7703E-03 1.7736E-03 1.7758E-03 1.7770E-03 1.7779E-03 1.7788E-03 1.7794E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Ne.mat0000644000276300001750000001642013136054446020324 0ustar solebliss00000000000000Ne 1 10 1.000000 1 96 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.9001E+00 1.5636E+01 2.1490E+00 1.8031E+00 1.6831E+00 1.4151E+00 1.1597E+00 9.4452E-01 7.7412E-01 5.4045E-01 3.9840E-01 2.2263E-01 1.4554E-01 7.7292E-02 4.7629E-02 3.2170E-02 2.3140E-02 1.3617E-02 8.9468E-03 4.1063E-03 2.3397E-03 1.5068E-03 1.0502E-03 7.7329E-04 5.9297E-04 4.6905E-04 3.8019E-04 3.1432E-04 2.6420E-04 2.2520E-04 1.6926E-04 1.4877E-04 1.3175E-04 1.0547E-04 9.5228E-05 9.1199E-05 6.0968E-05 5.6365E-05 4.8605E-05 4.2347E-05 3.7222E-05 2.9411E-05 2.3823E-05 2.2809E-05 1.9690E-05 1.4100E-05 1.0591E-05 5.9566E-06 3.8139E-06 2.6476E-06 1.9451E-06 1.4894E-06 1.1767E-06 9.5317E-07 7.8784E-07 6.6191E-07 5.6402E-07 4.8643E-07 4.2347E-07 3.7244E-07 2.9419E-07 2.3829E-07 1.9693E-07 1.6548E-07 1.4101E-07 1.2158E-07 1.0591E-07 5.9566E-08 3.8139E-08 2.6476E-08 1.4891E-08 9.5317E-09 4.2347E-09 2.3826E-09 1.0588E-09 5.9566E-10 3.8109E-10 2.6473E-10 1.4891E-10 9.5287E-11 4.2347E-11 2.3826E-11 1.0588E-11 5.9566E-12 3.8109E-12 2.6473E-12 1.4891E-12 9.5287E-13 4.2347E-13 2.3826E-13 1.0588E-13 5.9566E-14 3.8109E-14 2.6473E-14 1.4891E-14 9.5287E-15 INCOHERENT SCATTERING CROSS SECTION 5.4791E-03 4.8963E-04 1.5631E-03 1.1645E-02 1.9254E-02 3.6438E-02 5.3597E-02 6.9235E-02 8.2783E-02 1.0364E-01 1.1785E-01 1.3737E-01 1.4700E-01 1.5560E-01 1.5778E-01 1.5709E-01 1.5512E-01 1.4972E-01 1.4393E-01 1.3095E-01 1.2050E-01 1.1208E-01 1.0514E-01 9.9308E-02 9.4332E-02 9.0020E-02 8.6215E-02 8.2816E-02 7.9769E-02 7.7028E-02 7.2248E-02 7.0130E-02 6.8159E-02 6.4630E-02 6.3057E-02 6.2401E-02 5.6373E-02 5.5245E-02 5.3164E-02 5.1269E-02 4.9524E-02 4.6419E-02 4.3749E-02 4.3212E-02 4.1425E-02 3.7536E-02 3.4408E-02 2.8709E-02 2.4793E-02 2.1913E-02 1.9696E-02 1.7923E-02 1.6476E-02 1.5267E-02 1.4238E-02 1.3355E-02 1.2582E-02 1.1901E-02 1.1298E-02 1.0761E-02 9.8331E-03 9.0692E-03 8.4245E-03 7.8725E-03 7.3920E-03 6.9712E-03 6.6012E-03 5.2463E-03 4.3779E-03 3.7721E-03 2.9759E-03 2.4698E-03 1.7589E-03 1.3790E-03 9.7734E-04 7.6546E-04 6.3356E-04 5.4254E-04 4.2376E-04 3.4856E-04 2.4349E-04 1.8843E-04 1.3101E-04 1.0114E-04 8.2694E-05 7.0130E-05 5.4015E-05 4.4107E-05 3.0469E-05 2.3435E-05 1.6163E-05 1.2409E-05 1.0105E-05 8.5409E-06 6.5504E-06 5.3269E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 7.4069E+03 3.0022E+07 4.4551E+04 2.6643E+03 1.2412E+03 4.0377E+02 1.7723E+02 9.2363E+01 5.3836E+01 2.2639E+01 1.1451E+01 3.2528E+00 1.3134E+00 3.5930E-01 1.4184E-01 6.8668E-02 3.7870E-02 1.4778E-02 7.1204E-03 1.9034E-03 7.5681E-04 3.7541E-04 2.1490E-04 1.3596E-04 9.2482E-05 6.6467E-05 4.9956E-05 3.8931E-05 3.1126E-05 2.5373E-05 1.8013E-05 1.5730E-05 1.4023E-05 1.1184E-05 9.7794E-06 9.1736E-06 6.2252E-06 5.8301E-06 5.1098E-06 4.5122E-06 4.0364E-06 3.3329E-06 2.8294E-06 2.7363E-06 2.4481E-06 1.9199E-06 1.5739E-06 1.0776E-06 8.1560E-07 6.5504E-07 5.4672E-07 4.6883E-07 4.1004E-07 3.6438E-07 3.2797E-07 2.9798E-07 2.7303E-07 2.5193E-07 2.3385E-07 2.1818E-07 1.9237E-07 1.7201E-07 1.5554E-07 1.4193E-07 1.3053E-07 1.2080E-07 1.1245E-07 8.3499E-08 6.6400E-08 5.5119E-08 4.1123E-08 3.2797E-08 2.1779E-08 1.6300E-08 1.0845E-08 8.1261E-09 6.4967E-09 5.4105E-09 4.0556E-09 3.2439E-09 2.1621E-09 1.6213E-09 1.0806E-09 8.1023E-10 6.4818E-10 5.4015E-10 4.0526E-10 3.2409E-10 2.1606E-10 1.6205E-10 1.0803E-10 8.1023E-11 6.4818E-11 5.4015E-11 4.0496E-11 3.2409E-11 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 2.4143E-05 3.9110E-05 7.9751E-05 1.3322E-04 1.9762E-04 3.5194E-04 5.2971E-04 5.7089E-04 7.2052E-04 1.1165E-03 1.5124E-03 2.4513E-03 3.2886E-03 4.0377E-03 4.7032E-03 5.3060E-03 5.8521E-03 6.3475E-03 6.7951E-03 7.2100E-03 7.5919E-03 7.9501E-03 8.2813E-03 8.5947E-03 9.1706E-03 9.6839E-03 1.0149E-02 1.0573E-02 1.0961E-02 1.1319E-02 1.1651E-02 1.3014E-02 1.4041E-02 1.4853E-02 1.6085E-02 1.6980E-02 1.8434E-02 1.9317E-02 2.0353E-02 2.0952E-02 2.1349E-02 2.1633E-02 2.2012E-02 2.2260E-02 2.2615E-02 2.2809E-02 2.3021E-02 2.3134E-02 2.3206E-02 2.3256E-02 2.3319E-02 2.3361E-02 2.3417E-02 2.3447E-02 2.3480E-02 2.3498E-02 2.3507E-02 2.3516E-02 2.3525E-02 2.3531E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.1525E-07 3.4183E-06 1.2041E-05 4.9151E-05 9.7973E-05 1.5047E-04 2.0287E-04 2.5375E-04 3.0260E-04 3.4916E-04 3.9303E-04 4.3481E-04 4.7420E-04 5.1180E-04 5.4761E-04 5.8163E-04 6.4490E-04 7.0279E-04 7.5591E-04 8.0515E-04 8.5111E-04 8.9349E-04 9.3347E-04 1.1009E-03 1.2307E-03 1.3361E-03 1.4984E-03 1.6199E-03 1.8267E-03 1.9598E-03 2.1257E-03 2.2263E-03 2.2952E-03 2.3459E-03 2.4155E-03 2.4620E-03 2.5306E-03 2.5694E-03 2.6115E-03 2.6363E-03 2.6512E-03 2.6620E-03 2.6760E-03 2.6849E-03 2.6969E-03 2.7040E-03 2.7103E-03 2.7148E-03 2.7175E-03 2.7190E-03 2.7207E-03 2.7219E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Cm.mat0000644000276300001750000002255213136054446020324 0ustar solebliss00000000000000Cm 1 96 1.000000 13 4 3 3 4 3 3 3 3 5 3 3 8 78 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.1540E-03 1.1540E-03 1.2891E-03 1.4400E-03 1.4400E-03 1.5000E-03 1.6430E-03 1.6430E-03 2.0000E-03 3.0000E-03 3.9710E-03 3.9710E-03 4.0000E-03 4.2270E-03 4.2270E-03 4.5030E-03 4.7970E-03 4.7970E-03 5.0000E-03 5.8950E-03 5.8950E-03 6.0000E-03 6.2880E-03 6.2880E-03 8.0000E-03 1.0000E-02 1.5000E-02 1.8930E-02 1.8930E-02 2.0000E-02 2.3799E-02 2.3799E-02 2.4127E-02 2.4460E-02 2.4460E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.2822E-01 1.2822E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.4300E+01 8.2367E+01 1.5848E+01 1.4118E+01 1.4118E+01 1.3959E+01 1.3771E+01 1.3771E+01 1.3693E+01 1.3503E+01 1.3503E+01 1.3033E+01 1.1712E+01 1.0513E+01 1.0513E+01 1.0478E+01 1.0218E+01 1.0218E+01 9.9109E+00 9.5961E+00 9.5961E+00 9.3865E+00 8.5358E+00 8.5358E+00 8.4432E+00 8.1970E+00 8.1970E+00 6.9393E+00 5.8108E+00 3.9657E+00 3.0663E+00 3.0663E+00 2.8737E+00 2.3175E+00 2.3175E+00 2.2769E+00 2.2368E+00 2.2368E+00 1.6979E+00 1.1400E+00 8.2580E-01 6.2349E-01 3.9194E-01 2.7202E-01 1.7922E-01 1.7922E-01 1.3674E-01 8.2019E-02 5.4883E-02 3.9437E-02 2.9762E-02 2.3272E-02 1.8697E-02 1.5348E-02 1.2825E-02 1.0876E-02 9.3400E-03 7.1046E-03 6.2764E-03 5.5848E-03 4.5055E-03 4.0802E-03 3.9121E-03 2.6446E-03 2.4496E-03 2.1190E-03 1.8510E-03 1.6307E-03 1.2936E-03 1.0513E-03 1.0071E-03 8.7115E-04 6.2591E-04 4.7115E-04 2.6592E-04 1.7052E-04 1.1853E-04 8.7138E-05 6.6737E-05 5.2746E-05 4.2728E-05 3.5318E-05 2.9688E-05 2.5300E-05 2.1815E-05 1.9005E-05 1.6704E-05 1.3199E-05 1.0691E-05 8.8356E-06 7.4244E-06 6.3275E-06 5.4549E-06 4.7530E-06 2.6738E-06 1.7111E-06 1.1882E-06 6.6834E-07 4.2777E-07 1.9012E-07 1.0693E-07 4.7530E-08 2.6738E-08 1.7111E-08 1.1882E-08 6.6834E-09 4.2777E-09 1.9012E-09 1.0693E-09 4.7530E-10 2.6738E-10 1.7111E-10 1.1882E-10 6.6834E-11 4.2777E-11 1.9012E-11 1.0693E-11 4.7530E-12 2.6738E-12 1.7111E-12 1.1882E-12 6.6834E-13 4.2777E-13 INCOHERENT SCATTERING CROSS SECTION 4.2509E-03 9.9379E+01 2.3950E-03 5.1381E-03 5.1381E-03 5.8936E-03 6.7346E-03 6.7346E-03 7.0758E-03 7.8826E-03 7.8826E-03 9.8837E-03 1.5322E-02 2.0199E-02 2.0199E-02 2.0338E-02 2.1413E-02 2.1413E-02 2.2688E-02 2.4013E-02 2.4013E-02 2.4910E-02 2.8640E-02 2.8640E-02 2.9054E-02 3.0200E-02 3.0200E-02 3.6415E-02 4.2923E-02 5.6182E-02 6.3909E-02 6.3909E-02 6.5688E-02 7.1173E-02 7.1173E-02 7.1589E-02 7.2001E-02 7.2001E-02 7.7851E-02 8.5310E-02 8.9941E-02 9.2719E-02 9.4986E-02 9.5035E-02 9.3426E-02 9.3426E-02 9.1647E-02 8.6991E-02 8.2426E-02 7.8290E-02 7.4615E-02 7.1343E-02 6.8415E-02 6.5786E-02 6.3413E-02 6.1252E-02 5.9269E-02 5.5762E-02 5.4208E-02 5.2767E-02 5.0149E-02 4.8943E-02 4.8432E-02 4.3898E-02 4.3042E-02 4.1441E-02 3.9974E-02 3.8624E-02 3.6230E-02 3.4173E-02 3.3758E-02 3.2379E-02 2.9367E-02 2.6933E-02 2.2475E-02 1.9419E-02 1.7167E-02 1.5431E-02 1.4047E-02 1.2913E-02 1.1965E-02 1.1161E-02 1.0466E-02 9.8618E-03 9.3304E-03 8.8576E-03 8.4359E-03 7.7096E-03 7.1099E-03 6.6030E-03 6.1715E-03 5.7937E-03 5.4671E-03 5.1771E-03 4.1144E-03 3.4343E-03 2.9590E-03 2.3331E-03 1.9365E-03 1.3791E-03 1.0812E-03 7.6632E-04 6.0034E-04 4.9699E-04 4.2533E-04 3.3222E-04 2.7323E-04 1.9090E-04 1.4776E-04 1.0274E-04 7.9289E-05 6.4835E-05 5.4988E-05 4.2362E-05 3.4587E-05 2.3901E-05 1.8376E-05 1.2672E-05 9.7302E-06 7.9216E-06 6.6980E-06 5.1356E-06 4.1777E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 7.5243E+03 4.1417E+05 2.5149E+04 5.8669E+03 6.2276E+03 5.0461E+03 4.0900E+03 4.1729E+03 3.8170E+03 3.1711E+03 3.2296E+03 2.1405E+03 8.7723E+02 4.6067E+02 1.0379E+03 1.0269E+03 9.2183E+02 1.2874E+03 1.1089E+03 9.5522E+02 1.1120E+03 1.0069E+03 6.6054E+02 7.0051E+02 6.7053E+02 5.9692E+02 6.2179E+02 3.4368E+02 1.9670E+02 7.0100E+01 3.8487E+01 9.0379E+01 7.8509E+01 4.8797E+01 6.9856E+01 6.7355E+01 6.4957E+01 7.4853E+01 4.4727E+01 2.1325E+01 1.1904E+01 7.3586E+00 3.4221E+00 1.8827E+00 9.6692E-01 3.9096E+00 2.6422E+00 1.2755E+00 7.2611E-01 4.6116E-01 3.1630E-01 2.2960E-01 1.7407E-01 1.3652E-01 1.1002E-01 9.0672E-02 7.6130E-02 5.6060E-02 4.8943E-02 4.3134E-02 3.4374E-02 3.1053E-02 2.9761E-02 2.0123E-02 1.8673E-02 1.6246E-02 1.4305E-02 1.2728E-02 1.0339E-02 8.6358E-03 8.3262E-03 7.3690E-03 5.6222E-03 4.4946E-03 2.9298E-03 2.1393E-03 1.6721E-03 1.3662E-03 1.1519E-03 9.9422E-04 8.7333E-04 7.7802E-04 7.0125E-04 6.3787E-04 5.8498E-04 5.3989E-04 5.0113E-04 4.3825E-04 3.8926E-04 3.4977E-04 3.1784E-04 2.9103E-04 2.6836E-04 2.4910E-04 1.8283E-04 1.4439E-04 1.1929E-04 8.8503E-05 7.0344E-05 4.6482E-05 3.4709E-05 2.3031E-05 1.7235E-05 1.3769E-05 1.1463E-05 8.5870E-06 6.8662E-06 4.5726E-06 3.4270E-06 2.2843E-06 1.7130E-06 1.3701E-06 1.1417E-06 8.5627E-07 6.8491E-07 4.5653E-07 3.4246E-07 2.2826E-07 1.7118E-07 1.3696E-07 1.1412E-07 8.5602E-08 6.8467E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 4.7627E-04 7.6266E-04 1.5022E-03 2.3884E-03 3.3312E-03 5.1852E-03 6.9271E-03 7.3025E-03 8.5877E-03 1.1556E-02 1.4147E-02 1.9626E-02 2.4196E-02 2.8055E-02 3.1540E-02 3.4684E-02 3.7585E-02 4.0242E-02 4.2728E-02 4.5043E-02 4.7188E-02 4.9236E-02 5.1137E-02 5.2892E-02 5.6134E-02 5.9010E-02 6.1618E-02 6.4031E-02 6.6225E-02 6.8223E-02 7.0076E-02 7.7632E-02 8.3238E-02 8.7601E-02 9.4011E-02 9.8520E-02 1.0561E-01 1.0985E-01 1.1478E-01 1.1761E-01 1.1946E-01 1.2077E-01 1.2253E-01 1.2367E-01 1.2528E-01 1.2621E-01 1.2711E-01 1.2772E-01 1.2804E-01 1.2828E-01 1.2857E-01 1.2877E-01 1.2901E-01 1.2916E-01 1.2928E-01 1.2938E-01 1.2945E-01 1.2948E-01 1.2950E-01 1.2952E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.0130E-08 2.6711E-06 9.4036E-06 3.8316E-05 7.6145E-05 1.1668E-04 1.5695E-04 1.9582E-04 2.3292E-04 2.6812E-04 3.0126E-04 3.3246E-04 3.6171E-04 3.8950E-04 4.1582E-04 4.4069E-04 4.8651E-04 5.2819E-04 5.6621E-04 6.0082E-04 6.3275E-04 6.6249E-04 6.8979E-04 8.0240E-04 8.8649E-04 9.5279E-04 1.0515E-03 1.1224E-03 1.2382E-03 1.3099E-03 1.3969E-03 1.4483E-03 1.4834E-03 1.5090E-03 1.5443E-03 1.5677E-03 1.6024E-03 1.6221E-03 1.6436E-03 1.6562E-03 1.6640E-03 1.6694E-03 1.6765E-03 1.6811E-03 1.6872E-03 1.6911E-03 1.6945E-03 1.6967E-03 1.6979E-03 1.6989E-03 1.6996E-03 1.7003E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Sn.mat0000644000276300001750000001774013136054446020350 0ustar solebliss00000000000000Sn 1 50 1.000000 5 7 3 3 8 84 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 3.0000E-03 3.9288E-03 3.9288E-03 4.0000E-03 4.1561E-03 4.1561E-03 4.3076E-03 4.4647E-03 4.4647E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 2.9200E-02 2.9200E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 8.0001E+00 4.6626E+01 9.0339E+00 7.5689E+00 7.1022E+00 6.2043E+00 5.4636E+00 5.4636E+00 5.4078E+00 5.2962E+00 5.2962E+00 5.1890E+00 5.0781E+00 5.0781E+00 4.7224E+00 4.1416E+00 3.2563E+00 2.6471E+00 1.7441E+00 1.2266E+00 7.1935E-01 7.1935E-01 6.9145E-01 4.5134E-01 3.1985E-01 2.3782E-01 1.4565E-01 9.8619E-02 4.7899E-02 2.8272E-02 1.8606E-02 1.3154E-02 9.7865E-03 7.5638E-03 6.0208E-03 4.9056E-03 4.0731E-03 3.4354E-03 2.9364E-03 2.2161E-03 1.9511E-03 1.7307E-03 1.3889E-03 1.2551E-03 1.2023E-03 8.0610E-04 7.4550E-04 6.4315E-04 5.6056E-04 4.9299E-04 3.8997E-04 3.1610E-04 3.0265E-04 2.6132E-04 1.8720E-04 1.4067E-04 7.9189E-05 5.0689E-05 3.5206E-05 2.5867E-05 1.9805E-05 1.5650E-05 1.2677E-05 1.0476E-05 8.8016E-06 7.5029E-06 6.4681E-06 5.6361E-06 4.9517E-06 3.9128E-06 3.1691E-06 2.6192E-06 2.2012E-06 1.8755E-06 1.6173E-06 1.4088E-06 7.9240E-07 5.0710E-07 3.5217E-07 1.9810E-07 1.2677E-07 5.6361E-08 3.1691E-08 1.4088E-08 7.9240E-09 5.0710E-09 3.5212E-09 1.9810E-09 1.2677E-09 5.6361E-10 3.1691E-10 1.4088E-10 7.9240E-11 5.0710E-11 3.5212E-11 1.9810E-11 1.2677E-11 5.6361E-12 3.1691E-12 1.4088E-12 7.9240E-13 5.0710E-13 3.5212E-13 1.9810E-13 1.2677E-13 INCOHERENT SCATTERING CROSS SECTION 5.2708E-03 7.5700E-03 1.9996E-03 9.6843E-03 1.4052E-02 2.2022E-02 2.8581E-02 2.8581E-02 2.9058E-02 3.0093E-02 3.0093E-02 3.1078E-02 3.2082E-02 3.2082E-02 3.5404E-02 4.1223E-02 5.1643E-02 6.0673E-02 7.7312E-02 8.8067E-02 1.0014E-01 1.0014E-01 1.0090E-01 1.0770E-01 1.1125E-01 1.1292E-01 1.1323E-01 1.1150E-01 1.0486E-01 9.8213E-02 9.2322E-02 8.7205E-02 8.2760E-02 7.8885E-02 7.5480E-02 7.2442E-02 6.9700E-02 6.7217E-02 6.4961E-02 6.1004E-02 5.9252E-02 5.7626E-02 5.4695E-02 5.3368E-02 5.2810E-02 4.7793E-02 4.6844E-02 4.5080E-02 4.3470E-02 4.1996E-02 3.9381E-02 3.7124E-02 3.6668E-02 3.5152E-02 3.1868E-02 2.9225E-02 2.4386E-02 2.1063E-02 1.8618E-02 1.6736E-02 1.5234E-02 1.4001E-02 1.2972E-02 1.2099E-02 1.1348E-02 1.0689E-02 1.0116E-02 9.6032E-03 9.1466E-03 8.3603E-03 7.7059E-03 7.1580E-03 6.6913E-03 6.2804E-03 5.9252E-03 5.6107E-03 4.4592E-03 3.7220E-03 3.2071E-03 2.5294E-03 2.0992E-03 1.4950E-03 1.1724E-03 8.3095E-04 6.5086E-04 5.3875E-04 4.6118E-04 3.6018E-04 2.9631E-04 2.0693E-04 1.6015E-04 1.1135E-04 8.5987E-05 7.0261E-05 5.9608E-05 4.5916E-05 3.7489E-05 2.5908E-05 1.9922E-05 1.3738E-05 1.0547E-05 8.5886E-06 7.2594E-06 5.5651E-06 4.5287E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 8.1472E+03 1.4095E+06 3.8439E+04 3.2883E+03 1.6579E+03 6.0774E+02 3.0595E+02 9.2024E+02 9.3394E+02 8.4161E+02 1.1394E+03 1.0493E+03 9.6590E+02 1.1120E+03 8.4211E+02 5.2505E+02 2.4675E+02 1.3570E+02 4.4820E+01 2.0145E+01 6.9398E+00 4.2765E+01 4.0422E+01 1.8866E+01 1.0268E+01 6.2144E+00 2.7698E+00 1.4666E+00 4.5637E-01 1.9952E-01 1.0574E-01 6.3514E-02 4.1659E-02 2.9149E-02 2.1430E-02 1.6391E-02 1.2944E-02 1.0481E-02 8.6581E-03 6.2330E-03 5.4179E-03 4.7738E-03 3.7855E-03 3.3806E-03 3.2173E-03 2.1697E-03 2.0194E-03 1.7625E-03 1.5544E-03 1.3848E-03 1.1286E-03 9.4662E-04 9.1364E-04 8.1154E-04 6.2446E-04 5.0314E-04 3.3370E-04 2.4705E-04 1.9511E-04 1.6076E-04 1.3646E-04 1.1845E-04 1.0455E-04 9.3495E-05 8.4567E-05 7.7160E-05 7.0920E-05 6.5644E-05 6.1079E-05 5.3571E-05 4.7716E-05 4.3009E-05 3.9143E-05 3.5912E-05 3.3167E-05 3.0813E-05 2.2742E-05 1.8014E-05 1.4915E-05 1.1090E-05 8.8270E-06 5.8441E-06 4.3699E-06 2.9033E-06 2.1738E-06 1.7375E-06 1.4468E-06 1.0841E-06 8.6697E-07 5.7731E-07 4.3298E-07 2.8855E-07 2.1641E-07 1.7309E-07 1.4422E-07 1.0816E-07 8.6545E-08 5.7680E-08 4.3262E-08 2.8840E-08 2.1631E-08 1.7304E-08 1.4417E-08 1.0816E-08 8.6494E-09 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.7208E-04 2.6702E-04 5.0655E-04 7.9950E-04 1.1347E-03 1.8973E-03 2.7338E-03 2.9225E-03 3.5968E-03 5.3210E-03 6.9855E-03 1.0770E-02 1.4037E-02 1.6858E-02 1.9374E-02 2.1631E-02 2.3686E-02 2.5568E-02 2.7303E-02 2.8901E-02 3.0387E-02 3.1757E-02 3.3020E-02 3.4197E-02 3.6348E-02 3.8276E-02 4.0021E-02 4.1609E-02 4.3059E-02 4.4384E-02 4.5606E-02 5.0573E-02 5.4230E-02 5.7122E-02 6.1332E-02 6.4376E-02 6.9145E-02 7.1986E-02 7.5334E-02 7.7211E-02 7.8479E-02 7.9392E-02 8.0610E-02 8.1371E-02 8.2487E-02 8.3095E-02 8.3755E-02 8.4110E-02 8.4313E-02 8.4516E-02 8.4719E-02 8.4820E-02 8.5023E-02 8.5125E-02 8.5226E-02 8.5277E-02 8.5277E-02 8.5328E-02 8.5328E-02 8.5378E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.7859E-08 2.9021E-06 1.0222E-05 4.1700E-05 8.2994E-05 1.2733E-04 1.7152E-04 2.1428E-04 2.5517E-04 2.9398E-04 3.3071E-04 3.6536E-04 3.9798E-04 4.2902E-04 4.5839E-04 4.8630E-04 5.3774E-04 5.8491E-04 6.2804E-04 6.6760E-04 7.0362E-04 7.3761E-04 7.6906E-04 8.9893E-04 9.9786E-04 1.0760E-03 1.1937E-03 1.2794E-03 1.4209E-03 1.5097E-03 1.6183E-03 1.6832E-03 1.7279E-03 1.7603E-03 1.8055E-03 1.8354E-03 1.8800E-03 1.9054E-03 1.9328E-03 1.9490E-03 1.9592E-03 1.9658E-03 1.9754E-03 1.9810E-03 1.9891E-03 1.9937E-03 1.9982E-03 2.0008E-03 2.0028E-03 2.0038E-03 2.0048E-03 2.0059E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Tb.mat0000644000276300001750000002174213136054446020332 0ustar solebliss00000000000000Tb 1 65 1.000000 10 4 3 3 3 3 7 3 3 8 81 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.2412E-03 1.2412E-03 1.2580E-03 1.2750E-03 1.2750E-03 1.5000E-03 1.6113E-03 1.6113E-03 1.6877E-03 1.7677E-03 1.7677E-03 1.8649E-03 1.9675E-03 1.9675E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 7.5140E-03 7.5140E-03 8.0000E-03 8.2516E-03 8.2516E-03 8.4767E-03 8.7080E-03 8.7080E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 5.1996E-02 5.1996E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.0106E+01 8.2817E-01 1.0155E+01 9.8787E+00 9.8787E+00 9.8676E+00 9.8559E+00 9.8559E+00 9.6286E+00 9.5149E+00 9.5149E+00 9.4429E+00 9.3671E+00 9.3671E+00 9.2695E+00 9.1625E+00 9.1625E+00 9.1284E+00 8.1280E+00 7.1845E+00 6.3471E+00 5.6309E+00 4.7404E+00 4.7404E+00 4.4941E+00 4.3766E+00 4.3766E+00 4.2744E+00 4.1720E+00 4.1720E+00 3.6593E+00 2.3675E+00 1.6893E+00 9.9469E-01 6.4835E-01 4.5926E-01 4.3198E-01 4.3198E-01 3.4505E-01 2.1580E-01 1.4710E-01 7.1693E-02 4.2667E-02 2.8295E-02 2.0117E-02 1.5026E-02 1.1644E-02 9.2864E-03 7.5786E-03 6.3028E-03 5.3239E-03 4.5559E-03 3.4445E-03 3.0352E-03 2.6947E-03 2.1653E-03 1.9572E-03 1.8749E-03 1.2596E-03 1.1655E-03 1.0064E-03 8.7760E-04 7.7179E-04 6.1037E-04 4.9526E-04 4.7442E-04 4.1009E-04 2.9388E-04 2.2069E-04 1.2425E-04 7.9575E-05 5.5248E-05 4.0621E-05 3.1095E-05 2.4570E-05 1.9901E-05 1.6449E-05 1.3823E-05 1.1777E-05 1.0155E-05 8.8480E-06 7.7756E-06 6.1424E-06 4.9753E-06 4.1114E-06 3.4558E-06 2.9447E-06 2.5392E-06 2.2118E-06 1.2440E-06 7.9613E-07 5.5286E-07 3.1106E-07 1.9905E-07 8.8480E-08 4.9753E-08 2.2118E-08 1.2440E-08 7.9613E-09 5.5286E-09 3.1102E-09 1.9905E-09 8.8480E-10 4.9753E-10 2.2118E-10 1.2440E-10 7.9613E-11 5.5286E-11 3.1102E-11 1.9905E-11 8.8480E-12 4.9753E-12 2.2118E-12 1.2440E-12 7.9613E-13 5.5286E-13 3.1102E-13 1.9905E-13 INCOHERENT SCATTERING CROSS SECTION 5.5134E-03 3.5083E+09 4.7525E-03 7.2944E-03 7.2944E-03 7.3978E-03 7.5028E-03 7.5028E-03 9.1170E-03 9.9052E-03 9.9052E-03 1.0430E-02 1.0978E-02 1.0978E-02 1.1650E-02 1.2361E-02 1.2361E-02 1.2584E-02 1.9337E-02 2.5650E-02 3.1462E-02 3.6718E-02 4.3653E-02 4.3653E-02 4.5699E-02 4.6684E-02 4.6684E-02 4.7564E-02 4.8465E-02 4.8465E-02 5.3164E-02 6.7980E-02 7.8893E-02 9.2345E-02 9.9431E-02 1.0330E-01 1.0379E-01 1.0379E-01 1.0530E-01 1.0640E-01 1.0546E-01 1.0004E-01 9.4050E-02 8.8641E-02 8.3895E-02 7.9737E-02 7.6089E-02 7.2869E-02 6.9988E-02 6.7384E-02 6.5024E-02 6.2879E-02 5.9097E-02 5.7408E-02 5.5830E-02 5.2993E-02 5.1724E-02 5.1193E-02 4.6343E-02 4.5426E-02 4.3725E-02 4.2175E-02 4.0750E-02 3.8216E-02 3.6025E-02 3.5581E-02 3.4112E-02 3.0930E-02 2.8370E-02 2.3675E-02 2.0451E-02 1.8079E-02 1.6248E-02 1.4790E-02 1.3596E-02 1.2596E-02 1.1751E-02 1.1019E-02 1.0383E-02 9.8218E-03 9.3254E-03 8.8783E-03 8.1167E-03 7.4838E-03 6.9533E-03 6.4948E-03 6.1008E-03 5.7559E-03 5.4490E-03 4.3312E-03 3.6142E-03 3.1140E-03 2.4558E-03 2.0386E-03 1.4517E-03 1.1383E-03 8.0674E-04 6.3167E-04 5.2292E-04 4.4789E-04 3.4975E-04 2.8772E-04 2.0095E-04 1.5551E-04 1.0815E-04 8.3478E-05 6.8245E-05 5.7862E-05 4.4600E-05 3.6404E-05 2.5161E-05 1.9341E-05 1.3338E-05 1.0242E-05 8.3402E-06 7.0481E-06 5.4035E-06 4.3994E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 2.3861E+03 1.9134E+05 8.9306E+03 1.5816E+03 2.2758E+03 3.3613E+03 4.9602E+03 5.8696E+03 5.3050E+03 4.4562E+03 5.1534E+03 4.6286E+03 4.1568E+03 4.4145E+03 3.9149E+03 3.4725E+03 3.6279E+03 3.4983E+03 1.3463E+03 6.6237E+02 3.7741E+02 2.3668E+02 1.3206E+02 3.6101E+02 3.0875E+02 2.8374E+02 3.8802E+02 3.6318E+02 3.3986E+02 3.9295E+02 2.7779E+02 9.5566E+01 4.4107E+01 1.4539E+01 6.5403E+00 3.5013E+00 3.1368E+00 1.7230E+01 1.1781E+01 5.5020E+00 3.0004E+00 9.7877E-01 4.4069E-01 2.3867E-01 1.4577E-01 9.6868E-02 6.8510E-02 5.0826E-02 3.9143E-02 3.1065E-02 2.5271E-02 2.0987E-02 1.5210E-02 1.3209E-02 1.1598E-02 9.1900E-03 8.2758E-03 7.9196E-03 5.3391E-03 4.9583E-03 4.3216E-03 3.8120E-03 3.3964E-03 2.7646E-03 2.3126E-03 2.2304E-03 1.9768E-03 1.5158E-03 1.2183E-03 8.0257E-04 5.9113E-04 4.6495E-04 3.8196E-04 3.2334E-04 2.7999E-04 2.4672E-04 2.2038E-04 1.9905E-04 1.8139E-04 1.6661E-04 1.5403E-04 1.4316E-04 1.2546E-04 1.1163E-04 1.0053E-04 9.1398E-05 8.3819E-05 7.7377E-05 7.1845E-05 5.2936E-05 4.1872E-05 3.4645E-05 2.5744E-05 2.0481E-05 1.3550E-05 1.0125E-05 6.7260E-06 5.0360E-06 4.0242E-06 3.3497E-06 2.5100E-06 2.0068E-06 1.3369E-06 1.0023E-06 6.6805E-07 5.0094E-07 4.0053E-07 3.3384E-07 2.5036E-07 2.0026E-07 1.3350E-07 1.0011E-07 6.6729E-08 5.0056E-08 4.0053E-08 3.3372E-08 2.5028E-08 2.0023E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 2.6199E-04 4.0748E-04 7.7284E-04 1.2122E-03 1.7011E-03 2.7643E-03 3.8840E-03 4.1341E-03 5.0164E-03 7.2048E-03 9.2572E-03 1.3835E-02 1.7734E-02 2.1084E-02 2.4047E-02 2.6707E-02 2.9124E-02 3.1341E-02 3.3391E-02 3.5293E-02 3.7074E-02 3.8727E-02 4.0242E-02 4.1682E-02 4.4259E-02 4.6532E-02 4.8617E-02 5.0511E-02 5.2254E-02 5.3846E-02 5.5286E-02 6.1273E-02 6.5706E-02 6.9117E-02 7.4194E-02 7.7794E-02 8.3478E-02 8.6888E-02 9.0829E-02 9.3065E-02 9.4581E-02 9.5642E-02 9.7044E-02 9.7953E-02 9.9279E-02 9.9999E-02 1.0076E-01 1.0117E-01 1.0144E-01 1.0163E-01 1.0186E-01 1.0201E-01 1.0223E-01 1.0235E-01 1.0246E-01 1.0254E-01 1.0258E-01 1.0258E-01 1.0261E-01 1.0265E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.5005E-08 2.8163E-06 9.9166E-06 4.0432E-05 8.0447E-05 1.2338E-04 1.6608E-04 2.0743E-04 2.4691E-04 2.8435E-04 3.1978E-04 3.5312E-04 3.8461E-04 4.1417E-04 4.4259E-04 4.6949E-04 5.1875E-04 5.6385E-04 6.0515E-04 6.4266E-04 6.7752E-04 7.0973E-04 7.3967E-04 8.6320E-04 9.5642E-04 1.0299E-03 1.1406E-03 1.2205E-03 1.3520E-03 1.4339E-03 1.5339E-03 1.5938E-03 1.6347E-03 1.6646E-03 1.7059E-03 1.7332E-03 1.7741E-03 1.7976E-03 1.8230E-03 1.8382E-03 1.8473E-03 1.8537E-03 1.8624E-03 1.8677E-03 1.8753E-03 1.8795E-03 1.8837E-03 1.8863E-03 1.8882E-03 1.8890E-03 1.8901E-03 1.8909E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Tm.mat0000644000276300001750000002163213136054446020343 0ustar solebliss00000000000000Tm 1 69 1.000000 10 4 3 3 3 3 7 3 3 7 81 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.4677E-03 1.4677E-03 1.5000E-03 1.5146E-03 1.5146E-03 1.6895E-03 1.8845E-03 1.8845E-03 2.0000E-03 2.0898E-03 2.0898E-03 2.1956E-03 2.3068E-03 2.3068E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 8.6480E-03 8.6480E-03 9.1196E-03 9.6169E-03 9.6169E-03 1.0000E-02 1.0116E-02 1.0116E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 5.9390E-02 5.9390E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.0780E+01 5.7308E+01 1.1925E+01 1.0352E+01 1.0352E+01 1.0320E+01 1.0306E+01 1.0306E+01 1.0137E+01 9.9457E+00 9.9457E+00 9.8281E+00 9.7354E+00 9.7354E+00 9.6269E+00 9.5144E+00 9.5144E+00 8.8335E+00 7.8675E+00 6.9870E+00 6.2170E+00 4.9800E+00 4.6520E+00 4.6520E+00 4.4327E+00 4.2171E+00 4.2171E+00 4.0603E+00 4.0139E+00 4.0139E+00 2.6169E+00 1.8548E+00 1.0955E+00 7.1688E-01 5.0691E-01 3.8642E-01 3.8642E-01 3.8036E-01 2.3856E-01 1.6312E-01 7.9602E-02 4.7376E-02 3.1474E-02 2.2419E-02 1.6766E-02 1.3004E-02 1.0379E-02 8.4735E-03 7.0474E-03 5.9532E-03 5.0958E-03 3.8560E-03 3.3990E-03 3.0184E-03 2.4262E-03 2.1934E-03 2.1014E-03 1.4127E-03 1.3072E-03 1.1287E-03 9.8459E-04 8.6672E-04 6.8651E-04 5.5611E-04 5.3222E-04 4.5914E-04 3.2924E-04 2.4782E-04 1.3956E-04 8.9369E-05 6.2063E-05 4.5629E-05 3.4928E-05 2.7599E-05 2.2355E-05 1.8476E-05 1.5525E-05 1.3229E-05 1.1407E-05 9.9386E-06 8.7337E-06 6.9014E-06 5.5896E-06 4.6200E-06 3.8820E-06 3.3078E-06 2.8522E-06 2.4847E-06 1.3978E-06 8.9440E-07 6.2099E-07 3.4938E-07 2.2362E-07 9.9386E-08 5.5896E-08 2.4847E-08 1.3974E-08 8.9440E-09 6.2099E-09 3.4938E-09 2.2362E-09 9.9386E-10 5.5896E-10 2.4847E-10 1.3974E-10 8.9440E-11 6.2099E-11 3.4938E-11 2.2362E-11 9.9386E-12 5.5896E-12 2.4847E-12 1.3974E-12 8.9440E-13 6.2099E-13 3.4938E-13 2.2362E-13 INCOHERENT SCATTERING CROSS SECTION 4.9158E-03 1.1283E-03 2.1254E-03 7.9388E-03 7.9388E-03 8.1491E-03 8.2418E-03 8.2418E-03 9.3527E-03 1.0598E-02 1.0598E-02 1.1336E-02 1.1910E-02 1.1910E-02 1.2585E-02 1.3293E-02 1.3293E-02 1.7685E-02 2.3663E-02 2.9188E-02 3.4222E-02 4.2956E-02 4.5451E-02 4.5451E-02 4.7187E-02 4.8980E-02 4.8980E-02 5.0335E-02 5.0727E-02 5.0727E-02 6.4986E-02 7.6001E-02 9.0046E-02 9.7604E-02 1.0174E-01 1.0384E-01 1.0384E-01 1.0395E-01 1.0527E-01 1.0452E-01 9.9422E-02 9.3611E-02 8.8289E-02 8.3594E-02 7.9477E-02 7.5859E-02 7.2658E-02 6.9798E-02 6.7221E-02 6.4879E-02 6.2739E-02 5.8962E-02 5.7286E-02 5.5730E-02 5.2924E-02 5.1654E-02 5.1119E-02 4.6271E-02 4.5355E-02 4.3653E-02 4.2100E-02 4.0674E-02 3.8144E-02 3.5969E-02 3.5530E-02 3.4071E-02 3.0892E-02 2.8329E-02 2.3642E-02 2.0419E-02 1.8052E-02 1.6227E-02 1.4769E-02 1.3578E-02 1.2580E-02 1.1735E-02 1.1004E-02 1.0366E-02 9.8067E-03 9.3112E-03 8.8692E-03 8.1063E-03 7.4753E-03 6.9406E-03 6.4879E-03 6.0922E-03 5.7464E-03 5.4399E-03 4.3241E-03 3.6111E-03 3.1099E-03 2.4526E-03 2.0358E-03 1.4498E-03 1.1368E-03 8.0564E-04 6.3097E-04 5.2224E-04 4.4738E-04 3.4928E-04 2.8736E-04 2.0066E-04 1.5532E-04 1.0798E-04 8.3345E-05 6.8159E-05 5.7785E-05 4.4524E-05 3.6361E-05 2.5125E-05 1.9318E-05 1.3322E-05 1.0227E-05 8.3273E-06 7.0404E-06 5.3971E-06 4.3918E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 2.8882E+03 2.7501E+05 1.1384E+04 1.3521E+03 1.8448E+03 3.9248E+03 4.1351E+03 4.8196E+03 4.1996E+03 3.6575E+03 4.2421E+03 3.6753E+03 3.3167E+03 3.5241E+03 3.1483E+03 2.8126E+03 2.9363E+03 1.5849E+03 7.8675E+02 4.4988E+02 2.8294E+02 1.3464E+02 1.0987E+02 2.9445E+02 2.5634E+02 2.2316E+02 3.0589E+02 2.7894E+02 2.7042E+02 3.1263E+02 1.1300E+02 5.2581E+01 1.7500E+01 7.9209E+00 4.2599E+00 2.6319E+00 1.4131E+01 1.3603E+01 6.3988E+00 3.5127E+00 1.1614E+00 5.2723E-01 2.8713E-01 1.7621E-01 1.1749E-01 8.3309E-02 6.1944E-02 4.7804E-02 3.8009E-02 3.0971E-02 2.5756E-02 1.8698E-02 1.6245E-02 1.4265E-02 1.1307E-02 1.0188E-02 9.7532E-03 6.5735E-03 6.1035E-03 5.3188E-03 4.6913E-03 4.1791E-03 3.4002E-03 2.8433E-03 2.7420E-03 2.4297E-03 1.8615E-03 1.4947E-03 9.8317E-04 7.2329E-04 5.6823E-04 4.6627E-04 3.9462E-04 3.4165E-04 3.0090E-04 2.6868E-04 2.4258E-04 2.2105E-04 2.0298E-04 1.8758E-04 1.7435E-04 1.5275E-04 1.3585E-04 1.2231E-04 1.1122E-04 1.0195E-04 9.4110E-05 8.7373E-05 6.4344E-05 5.0905E-05 4.2100E-05 3.1270E-05 2.4871E-05 1.6455E-05 1.2295E-05 8.1634E-06 6.1100E-06 4.8838E-06 4.0674E-06 3.0468E-06 2.4358E-06 1.6227E-06 1.2167E-06 8.1063E-07 6.0780E-07 4.8624E-07 4.0532E-07 3.0386E-07 2.4308E-07 1.6206E-07 1.2152E-07 8.1028E-08 6.0744E-08 4.8624E-08 4.0496E-08 3.0379E-08 2.4301E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 2.9017E-04 4.5215E-04 8.5922E-04 1.3475E-03 1.8875E-03 3.0481E-03 4.2528E-03 4.5201E-03 5.4605E-03 7.7793E-03 9.9422E-03 1.4733E-02 1.8786E-02 2.2273E-02 2.5353E-02 2.8115E-02 3.0629E-02 3.2935E-02 3.5067E-02 3.7038E-02 3.8892E-02 4.0638E-02 4.2207E-02 4.3704E-02 4.6413E-02 4.8802E-02 5.0976E-02 5.2973E-02 5.4755E-02 5.6430E-02 5.7963E-02 6.4202E-02 6.8836E-02 7.2436E-02 7.7748E-02 8.1491E-02 8.7408E-02 9.0902E-02 9.5001E-02 9.7319E-02 9.8851E-02 9.9957E-02 1.0142E-01 1.0234E-01 1.0370E-01 1.0445E-01 1.0523E-01 1.0566E-01 1.0595E-01 1.0612E-01 1.0637E-01 1.0652E-01 1.0677E-01 1.0687E-01 1.0698E-01 1.0705E-01 1.0709E-01 1.0712E-01 1.0716E-01 1.0716E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.4885E-08 2.8120E-06 9.8994E-06 4.0353E-05 8.0315E-05 1.2316E-04 1.6576E-04 2.0697E-04 2.4633E-04 2.8369E-04 3.1898E-04 3.5224E-04 3.8357E-04 4.1316E-04 4.4132E-04 4.6806E-04 5.1725E-04 5.6217E-04 6.0316E-04 6.4059E-04 6.7517E-04 7.0725E-04 7.3684E-04 8.5947E-04 9.5180E-04 1.0245E-03 1.1332E-03 1.2117E-03 1.3407E-03 1.4209E-03 1.5182E-03 1.5760E-03 1.6156E-03 1.6444E-03 1.6844E-03 1.7107E-03 1.7500E-03 1.7721E-03 1.7967E-03 1.8109E-03 1.8198E-03 1.8259E-03 1.8341E-03 1.8391E-03 1.8462E-03 1.8505E-03 1.8544E-03 1.8569E-03 1.8583E-03 1.8594E-03 1.8601E-03 1.8612E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/As.mat0000644000276300001750000001774013136054446020333 0ustar solebliss00000000000000As 1 33 1.000000 5 4 3 3 9 86 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.3231E-03 1.3231E-03 1.3407E-03 1.3586E-03 1.3586E-03 1.5000E-03 1.5265E-03 1.5265E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.1867E-02 1.1867E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 5.5092E+00 9.0656E+01 6.3818E+00 5.3147E+00 5.3147E+00 5.3032E+00 5.2914E+00 5.2914E+00 5.1949E+00 5.1772E+00 5.1772E+00 4.8533E+00 4.2095E+00 3.6653E+00 3.2063E+00 2.8117E+00 2.1759E+00 1.7097E+00 1.3970E+00 1.3970E+00 1.0337E+00 7.0693E-01 3.9844E-01 2.5319E-01 1.7482E-01 1.2845E-01 7.8410E-02 5.3002E-02 2.5327E-02 1.4742E-02 9.6287E-03 6.7776E-03 5.0266E-03 3.8743E-03 3.0758E-03 2.5006E-03 2.0728E-03 1.7458E-03 1.4902E-03 1.1220E-03 9.8706E-04 8.7511E-04 7.0164E-04 6.3363E-04 6.0678E-04 4.0624E-04 3.7567E-04 3.2405E-04 2.8237E-04 2.4823E-04 1.9619E-04 1.5899E-04 1.5224E-04 1.3146E-04 9.4143E-05 7.0710E-05 3.9788E-05 2.5464E-05 1.7683E-05 1.2997E-05 9.9509E-06 7.8611E-06 6.3676E-06 5.2624E-06 4.4217E-06 3.7674E-06 3.2489E-06 2.8302E-06 2.4869E-06 1.9653E-06 1.5923E-06 1.3158E-06 1.1052E-06 9.4204E-07 8.1183E-07 7.0750E-07 3.9796E-07 2.5472E-07 1.7683E-07 9.9509E-08 6.3668E-08 2.8302E-08 1.5915E-08 7.0750E-09 3.9796E-09 2.5472E-09 1.7683E-09 9.9509E-10 6.3668E-10 2.8302E-10 1.5915E-10 7.0750E-11 3.9796E-11 2.5472E-11 1.7683E-11 9.9509E-12 6.3668E-12 2.8302E-12 1.5915E-12 7.0750E-13 3.9796E-13 2.5472E-13 1.7683E-13 9.9509E-14 6.3668E-14 INCOHERENT SCATTERING CROSS SECTION 5.8106E-03 2.9221E-02 2.1823E-03 9.0668E-03 9.0668E-03 9.2505E-03 9.4365E-03 9.4365E-03 1.0899E-02 1.1173E-02 1.1173E-02 1.6044E-02 2.5609E-02 3.4041E-02 4.1516E-02 4.8292E-02 6.0228E-02 7.0356E-02 7.8370E-02 7.8370E-02 8.9382E-02 1.0168E-01 1.1526E-01 1.2153E-01 1.2419E-01 1.2491E-01 1.2354E-01 1.2065E-01 1.1229E-01 1.0457E-01 9.7890E-02 9.2195E-02 8.7329E-02 8.3112E-02 7.9411E-02 7.6135E-02 7.3213E-02 7.0581E-02 6.8189E-02 6.3990E-02 6.2133E-02 6.0411E-02 5.7317E-02 5.5920E-02 5.5333E-02 5.0044E-02 4.9047E-02 4.7193E-02 4.5503E-02 4.3951E-02 4.1203E-02 3.8847E-02 3.8373E-02 3.6795E-02 3.3353E-02 3.0576E-02 2.5504E-02 2.2032E-02 1.9476E-02 1.7507E-02 1.5931E-02 1.4645E-02 1.3568E-02 1.2652E-02 1.1872E-02 1.1181E-02 1.0578E-02 1.0039E-02 9.5651E-03 8.7372E-03 8.0620E-03 7.4865E-03 6.9962E-03 6.5694E-03 6.1972E-03 5.8685E-03 4.6628E-03 3.8928E-03 3.3534E-03 2.6453E-03 2.1952E-03 1.5634E-03 1.2258E-03 8.6890E-04 6.8041E-04 5.6330E-04 4.8228E-04 3.7666E-04 3.0986E-04 2.1638E-04 1.6751E-04 1.1647E-04 8.9864E-05 7.3499E-05 6.2326E-05 4.8019E-05 3.9209E-05 2.7096E-05 2.0834E-05 1.4364E-05 1.1028E-05 8.9784E-06 7.5918E-06 5.8211E-06 4.7359E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 2.1156E+03 5.0613E+05 1.1004E+04 1.0867E+03 4.5270E+03 4.4841E+03 4.4410E+03 6.0775E+03 5.2206E+03 4.9924E+03 5.6482E+03 2.9266E+03 1.0449E+03 4.8838E+02 2.6766E+02 1.6277E+02 7.3491E+01 3.9370E+01 2.4299E+01 1.7780E+02 9.7420E+01 4.4836E+01 1.4541E+01 6.3861E+00 3.3357E+00 1.9500E+00 8.2791E-01 4.2344E-01 1.2467E-01 5.2544E-02 2.7149E-02 1.6003E-02 1.0342E-02 7.1513E-03 5.2083E-03 3.9539E-03 3.1038E-03 2.5006E-03 2.0569E-03 1.4726E-03 1.2788E-03 1.1269E-03 8.9310E-04 7.9591E-04 7.5645E-04 5.1105E-04 4.7621E-04 4.1637E-04 3.6773E-04 3.2812E-04 2.6825E-04 2.2570E-04 2.1799E-04 1.9408E-04 1.5017E-04 1.2161E-04 8.1504E-05 6.0775E-05 4.8268E-05 3.9948E-05 3.4033E-05 2.9620E-05 2.6204E-05 2.3487E-05 2.1276E-05 1.9444E-05 1.7900E-05 1.6582E-05 1.5441E-05 1.3576E-05 1.2105E-05 1.0924E-05 9.9509E-06 9.1391E-06 8.4479E-06 7.8522E-06 5.8082E-06 4.6073E-06 3.8180E-06 2.8430E-06 2.2651E-06 1.5015E-06 1.1229E-06 7.4632E-07 5.5888E-07 4.4675E-07 3.7208E-07 2.7884E-07 2.2297E-07 1.4854E-07 1.1141E-07 7.4238E-08 5.5671E-08 4.4538E-08 3.7111E-08 2.7827E-08 2.2265E-08 1.4838E-08 1.1133E-08 7.4206E-09 5.5655E-09 4.4522E-09 3.7103E-09 2.7827E-09 2.2257E-09 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.3079E-05 1.4642E-04 2.8466E-04 4.5921E-04 6.6485E-04 1.1491E-03 1.6944E-03 1.8182E-03 2.2656E-03 3.4423E-03 4.6073E-03 7.2944E-03 9.6616E-03 1.1735E-02 1.3592E-02 1.5264E-02 1.6783E-02 1.8158E-02 1.9412E-02 2.0561E-02 2.1614E-02 2.2595E-02 2.3511E-02 2.4371E-02 2.5938E-02 2.7337E-02 2.8615E-02 2.9772E-02 3.0825E-02 3.1798E-02 3.2698E-02 3.6347E-02 3.9072E-02 4.1194E-02 4.4345E-02 4.6580E-02 5.0141E-02 5.2263E-02 5.4738E-02 5.6161E-02 5.7093E-02 5.7760E-02 5.8653E-02 5.9231E-02 6.0067E-02 6.0526E-02 6.1016E-02 6.1281E-02 6.1442E-02 6.1562E-02 6.1715E-02 6.1804E-02 6.1940E-02 6.2013E-02 6.2085E-02 6.2125E-02 6.2149E-02 6.2165E-02 6.2189E-02 6.2197E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.0235E-07 3.0364E-06 1.0698E-05 4.3670E-05 8.6970E-05 1.3351E-04 1.7989E-04 2.2482E-04 2.6790E-04 3.0882E-04 3.4756E-04 3.8413E-04 4.1861E-04 4.5149E-04 4.8260E-04 5.1226E-04 5.6716E-04 6.1723E-04 6.6313E-04 7.0533E-04 7.4439E-04 7.8072E-04 8.1424E-04 9.5490E-04 1.0618E-03 1.1470E-03 1.2764E-03 1.3705E-03 1.5272E-03 1.6253E-03 1.7466E-03 1.8198E-03 1.8696E-03 1.9066E-03 1.9572E-03 1.9910E-03 2.0408E-03 2.0698E-03 2.1003E-03 2.1188E-03 2.1300E-03 2.1373E-03 2.1477E-03 2.1550E-03 2.1638E-03 2.1686E-03 2.1735E-03 2.1767E-03 2.1791E-03 2.1799E-03 2.1815E-03 2.1823E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Pu.mat0000644000276300001750000002266213136054446020353 0ustar solebliss00000000000000Pu 1 94 1.000000 13 4 3 3 4 3 3 3 3 6 3 3 8 78 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.1148E-03 1.1148E-03 1.2368E-03 1.3721E-03 1.3721E-03 1.5000E-03 1.5586E-03 1.5586E-03 2.0000E-03 3.0000E-03 3.7781E-03 3.7781E-03 3.8741E-03 3.9726E-03 3.9726E-03 4.0000E-03 4.5566E-03 4.5566E-03 5.0000E-03 5.5412E-03 5.5412E-03 5.7337E-03 5.9329E-03 5.9329E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 1.8057E-02 1.8057E-02 2.0000E-02 2.2266E-02 2.2266E-02 2.2678E-02 2.3097E-02 2.3097E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.2182E-01 1.2182E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.4153E+01 9.0638E+01 1.5714E+01 1.4019E+01 1.4019E+01 1.3879E+01 1.3714E+01 1.3714E+01 1.3548E+01 1.3473E+01 1.3473E+01 1.2898E+01 1.1583E+01 1.0613E+01 1.0613E+01 1.0500E+01 1.0384E+01 1.0384E+01 1.0351E+01 9.7316E+00 9.7316E+00 9.2706E+00 8.7491E+00 8.7491E+00 8.5744E+00 8.3989E+00 8.3989E+00 8.3410E+00 6.8597E+00 5.7412E+00 3.9098E+00 3.1842E+00 3.1842E+00 2.8240E+00 2.4751E+00 2.4751E+00 2.4186E+00 2.3630E+00 2.3630E+00 1.6657E+00 1.1193E+00 8.0891E-01 6.0964E-01 3.8291E-01 2.6577E-01 1.9073E-01 1.9073E-01 1.3326E-01 7.9883E-02 5.3424E-02 3.8367E-02 2.8936E-02 2.2612E-02 1.8155E-02 1.4896E-02 1.2442E-02 1.0548E-02 9.0555E-03 6.8848E-03 6.0813E-03 5.4108E-03 4.3636E-03 3.9501E-03 3.7863E-03 2.5570E-03 2.3684E-03 2.0488E-03 1.7899E-03 1.5770E-03 1.2509E-03 1.0160E-03 9.7316E-04 8.4135E-04 6.0434E-04 4.5496E-04 2.5670E-04 1.6460E-04 1.1440E-04 8.4090E-05 6.4415E-05 5.0912E-05 4.1239E-05 3.4084E-05 2.8643E-05 2.4411E-05 2.1050E-05 1.8337E-05 1.6118E-05 1.2737E-05 1.0316E-05 8.5274E-06 7.1645E-06 6.1040E-06 5.2651E-06 4.5849E-06 2.5796E-06 1.6511E-06 1.1465E-06 6.4491E-07 4.1264E-07 1.8345E-07 1.0319E-07 4.5849E-08 2.5796E-08 1.6511E-08 1.1465E-08 6.4491E-09 4.1264E-09 1.8345E-09 1.0319E-09 4.5849E-10 2.5796E-10 1.6511E-10 1.1465E-10 6.4491E-11 4.1264E-11 1.8345E-11 1.0319E-11 4.5849E-12 2.5796E-12 1.6511E-12 1.1465E-12 6.4491E-13 4.1264E-13 INCOHERENT SCATTERING CROSS SECTION 4.4388E-03 2.5124E+03 2.7748E-03 5.1139E-03 5.1139E-03 5.8138E-03 6.5851E-03 6.5851E-03 7.3283E-03 7.6684E-03 7.6684E-03 1.0213E-02 1.5767E-02 1.9788E-02 1.9788E-02 2.0262E-02 2.0748E-02 2.0748E-02 2.0884E-02 2.3537E-02 2.3537E-02 2.5544E-02 2.7887E-02 2.7887E-02 2.8682E-02 2.9500E-02 2.9500E-02 2.9777E-02 3.7284E-02 4.3884E-02 5.7336E-02 6.3533E-02 6.3533E-02 6.6884E-02 7.0335E-02 7.0335E-02 7.0905E-02 7.1469E-02 7.1469E-02 7.9203E-02 8.6760E-02 9.1446E-02 9.4242E-02 9.6484E-02 9.6459E-02 9.5300E-02 9.5300E-02 9.2957E-02 8.8196E-02 8.3530E-02 7.9304E-02 7.5564E-02 7.2250E-02 6.9294E-02 6.6632E-02 6.4217E-02 6.2022E-02 6.0021E-02 5.6479E-02 5.4893E-02 5.3409E-02 5.0730E-02 4.9527E-02 4.9023E-02 4.4413E-02 4.3543E-02 4.1929E-02 4.0458E-02 3.9106E-02 3.6692E-02 3.4588E-02 3.4160E-02 3.2745E-02 2.9702E-02 2.7257E-02 2.2748E-02 1.9652E-02 1.7375E-02 1.5619E-02 1.4216E-02 1.3069E-02 1.2110E-02 1.1293E-02 1.0593E-02 9.9784E-03 9.4419E-03 8.9632E-03 8.5375E-03 7.8019E-03 7.1948E-03 6.6834E-03 6.2450E-03 5.8646E-03 5.5321E-03 5.2374E-03 4.1617E-03 3.4739E-03 2.9953E-03 2.3612E-03 1.9599E-03 1.3956E-03 1.0943E-03 7.7565E-04 6.0737E-04 5.0283E-04 4.3053E-04 3.3631E-04 2.7661E-04 1.9320E-04 1.4954E-04 1.0397E-04 8.0261E-05 6.5624E-05 5.5649E-05 4.2876E-05 3.4991E-05 2.4189E-05 1.8597E-05 1.2825E-05 9.8449E-06 8.0185E-06 6.7766E-06 5.1971E-06 4.2272E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 7.1796E+03 4.2237E+05 2.4483E+04 5.9251E+03 6.3030E+03 5.1776E+03 4.2524E+03 4.3103E+03 3.6075E+03 3.3404E+03 3.4034E+03 2.0237E+03 8.2780E+02 4.8796E+02 1.1702E+03 1.0935E+03 1.0220E+03 1.3858E+03 1.4160E+03 1.0336E+03 1.2047E+03 9.5552E+02 7.3434E+02 7.7918E+02 7.1618E+02 6.5826E+02 6.8647E+02 6.6758E+02 3.2825E+02 1.8773E+02 6.6682E+01 4.1289E+01 9.7870E+01 7.4190E+01 5.5497E+01 7.9152E+01 7.5445E+01 7.1922E+01 8.2956E+01 4.2776E+01 2.0267E+01 1.1273E+01 6.9479E+00 3.2195E+00 1.7664E+00 1.0382E+00 4.3027E+00 2.5418E+00 1.2228E+00 6.9349E-01 4.3884E-01 3.0026E-01 2.1756E-01 1.6464E-01 1.2893E-01 1.0378E-01 8.5450E-02 7.1691E-02 5.2722E-02 4.6000E-02 4.0514E-02 3.2263E-02 2.9147E-02 2.7938E-02 1.8881E-02 1.7519E-02 1.5242E-02 1.3425E-02 1.1948E-02 9.7093E-03 8.1067E-03 7.8145E-03 6.9128E-03 5.2746E-03 4.2196E-03 2.7535E-03 2.0116E-03 1.5727E-03 1.2853E-03 1.0840E-03 9.3562E-04 8.2226E-04 7.3258E-04 6.6028E-04 6.0082E-04 5.5094E-04 5.0862E-04 4.7209E-04 4.1289E-04 3.6679E-04 3.2976E-04 2.9953E-04 2.7434E-04 2.5292E-04 2.3471E-04 1.7239E-04 1.3616E-04 1.1251E-04 8.3460E-05 6.6330E-05 4.3834E-05 3.2724E-05 2.1725E-05 1.6256E-05 1.2989E-05 1.0815E-05 8.1017E-06 6.4768E-06 4.3128E-06 3.2346E-06 2.1552E-06 1.6158E-06 1.2926E-06 1.0769E-06 8.0765E-07 6.4617E-07 4.3078E-07 3.2296E-07 2.1534E-07 1.6150E-07 1.2918E-07 1.0767E-07 8.0739E-08 6.4592E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 4.6781E-04 7.4710E-04 1.4661E-03 2.3267E-03 3.2439E-03 5.0593E-03 6.7816E-03 7.1544E-03 8.4320E-03 1.1386E-02 1.3971E-02 1.9481E-02 2.4076E-02 2.7988E-02 3.1490E-02 3.4639E-02 3.7536E-02 4.0206E-02 4.2700E-02 4.5018E-02 4.7159E-02 4.9199E-02 5.1089E-02 5.2852E-02 5.6077E-02 5.8949E-02 6.1569E-02 6.3962E-02 6.6153E-02 6.8144E-02 6.9983E-02 7.7490E-02 8.3082E-02 8.7415E-02 9.3789E-02 9.8298E-02 1.0538E-01 1.0958E-01 1.1450E-01 1.1729E-01 1.1913E-01 1.2047E-01 1.2221E-01 1.2334E-01 1.2495E-01 1.2586E-01 1.2679E-01 1.2737E-01 1.2770E-01 1.2792E-01 1.2823E-01 1.2843E-01 1.2865E-01 1.2881E-01 1.2893E-01 1.2903E-01 1.2911E-01 1.2913E-01 1.2916E-01 1.2918E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.1281E-08 2.7043E-06 9.5174E-06 3.8770E-05 7.7087E-05 1.1812E-04 1.5888E-04 1.9826E-04 2.3582E-04 2.7131E-04 3.0507E-04 3.3656E-04 3.6629E-04 3.9450E-04 4.2095E-04 4.4640E-04 4.9275E-04 5.3507E-04 5.7362E-04 6.0863E-04 6.4113E-04 6.7111E-04 6.9882E-04 8.1294E-04 8.9834E-04 9.6560E-04 1.0659E-03 1.1379E-03 1.2556E-03 1.3284E-03 1.4168E-03 1.4692E-03 1.5050E-03 1.5312E-03 1.5669E-03 1.5909E-03 1.6264E-03 1.6465E-03 1.6682E-03 1.6813E-03 1.6891E-03 1.6946E-03 1.7022E-03 1.7070E-03 1.7133E-03 1.7171E-03 1.7203E-03 1.7229E-03 1.7241E-03 1.7249E-03 1.7259E-03 1.7266E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/H.mat0000644000276300001750000001642013136054446020151 0ustar solebliss00000000000000Hidrogen 1 1 1.000000 1 96 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 2.5000E-01 3.0000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 3.4683E-01 8.4781E+01 4.9029E-01 2.9784E-01 2.4741E-01 1.6514E-01 1.1238E-01 8.0121E-02 5.9675E-02 3.6601E-02 2.4622E-02 1.1609E-02 6.6857E-03 3.0244E-03 1.7123E-03 1.0993E-03 7.6476E-04 4.3084E-04 2.7597E-04 1.2278E-04 6.9068E-05 4.4207E-05 4.4207E-05 3.0704E-05 1.7273E-05 1.3646E-05 1.1053E-05 9.1358E-06 7.6775E-06 6.5419E-06 4.9131E-06 4.3179E-06 3.8247E-06 3.0618E-06 2.7633E-06 2.6456E-06 1.7685E-06 1.6352E-06 1.4102E-06 1.2284E-06 1.0794E-06 8.5241E-07 6.9068E-07 6.6140E-07 5.7123E-07 4.0896E-07 3.0704E-07 1.7273E-07 1.1053E-07 7.6775E-08 5.6395E-08 4.3179E-08 3.4116E-08 2.7633E-08 2.2841E-08 1.9191E-08 1.6353E-08 1.4100E-08 1.2284E-08 1.0796E-08 8.5319E-09 6.9068E-09 5.7094E-09 4.7977E-09 4.0879E-09 3.5245E-09 3.0704E-09 1.7267E-09 1.1053E-09 7.6715E-10 4.3149E-10 2.7603E-10 1.2272E-10 6.9008E-11 3.0674E-11 1.7255E-11 1.1041E-11 7.6655E-12 4.3131E-12 2.7603E-12 1.2272E-12 6.9008E-13 3.0674E-13 1.7255E-13 1.1041E-13 7.6655E-14 4.3131E-14 2.7603E-14 1.2272E-14 6.9008E-15 3.0674E-15 1.7255E-15 1.1041E-15 7.6655E-16 4.3131E-16 2.7603E-16 INCOHERENT SCATTERING CROSS SECTION 5.0331E-02 6.9800E-02 1.7221E-02 9.8583E-02 1.4805E-01 2.2835E-01 2.7932E-01 3.0991E-01 3.2879E-01 3.4892E-01 3.5806E-01 3.6416E-01 3.6254E-01 3.5394E-01 3.4408E-01 3.3440E-01 3.2526E-01 3.0865E-01 2.9413E-01 2.6498E-01 2.4281E-01 2.2538E-01 2.2538E-01 2.1121E-01 1.8928E-01 1.8054E-01 1.7285E-01 1.6601E-01 1.5988E-01 1.5436E-01 1.4472E-01 1.4047E-01 1.3651E-01 1.2945E-01 1.2631E-01 1.2499E-01 1.1292E-01 1.1065E-01 1.0646E-01 1.0265E-01 9.9143E-02 9.2928E-02 8.7589E-02 8.6514E-02 8.2936E-02 7.5150E-02 6.8888E-02 5.7477E-02 4.9638E-02 4.3872E-02 3.9433E-02 3.5890E-02 3.2992E-02 3.0567E-02 2.8511E-02 2.6737E-02 2.5189E-02 2.3827E-02 2.2620E-02 2.1545E-02 1.9693E-02 1.8157E-02 1.6867E-02 1.5761E-02 1.4799E-02 1.3957E-02 1.3216E-02 1.0504E-02 8.7709E-03 7.5520E-03 5.9580E-03 4.9447E-03 3.5215E-03 2.7609E-03 1.9567E-03 1.5325E-03 1.2684E-03 1.0862E-03 8.4841E-04 6.9784E-04 4.8748E-04 3.7724E-04 2.6229E-04 2.0248E-04 1.6556E-04 1.4041E-04 1.0814E-04 8.8306E-05 6.1002E-05 4.6919E-05 3.2359E-05 2.4843E-05 2.0230E-05 1.7100E-05 1.3114E-05 1.0665E-05 PHOTOELECTRIC ABSORPTION CROSS SECTION 6.8171E+00 2.2770E+04 7.0084E+01 1.7518E+00 6.6379E-01 1.6765E-01 6.2914E-02 2.9318E-02 1.5696E-02 5.8648E-03 2.7233E-03 6.7395E-04 2.4986E-04 6.1659E-05 2.2841E-05 1.0581E-05 5.6491E-06 2.1049E-06 9.8224E-07 2.4950E-07 9.6252E-08 4.6792E-08 4.6792E-08 2.6372E-08 1.1101E-08 7.9307E-09 5.9311E-09 4.6015E-09 3.6792E-09 3.0167E-09 2.1529E-09 1.8629E-09 1.6332E-09 1.2968E-09 1.1716E-09 1.1232E-09 7.7910E-10 7.3002E-10 6.4825E-10 5.8146E-10 5.2483E-10 4.3546E-10 3.7049E-10 3.5872E-10 3.2227E-10 2.5501E-10 2.1055E-10 1.4602E-10 1.1149E-10 9.0098E-11 7.5520E-11 6.5005E-11 5.7034E-11 5.0803E-11 4.5796E-11 4.1685E-11 3.8244E-11 3.5334E-11 3.2831E-11 3.0656E-11 2.7071E-11 2.4239E-11 2.1939E-11 2.0039E-11 1.8444E-11 1.7082E-11 1.5905E-11 1.1836E-11 9.4221E-12 7.8269E-12 5.8474E-12 4.6668E-12 3.1015E-12 2.3224E-12 1.5457E-12 1.1585E-12 9.2608E-13 7.7133E-13 5.7847E-13 4.6268E-13 3.0835E-13 2.3122E-13 1.5415E-13 1.1555E-13 9.2488E-14 7.7074E-14 5.7781E-14 4.6226E-14 3.0817E-14 2.3110E-14 1.5409E-14 1.1555E-14 9.2429E-15 7.7014E-15 5.7775E-15 4.6220E-15 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 4.6633E-06 7.5913E-06 1.5600E-05 2.6199E-05 3.9001E-05 6.9700E-05 1.0504E-04 1.1322E-04 1.4301E-04 2.2216E-04 3.0160E-04 4.9004E-04 6.5841E-04 8.0957E-04 9.4400E-04 1.0659E-03 1.1770E-03 1.2774E-03 1.3694E-03 1.4536E-03 1.5325E-03 1.6060E-03 1.6747E-03 1.7398E-03 1.8593E-03 1.9669E-03 2.0655E-03 2.1557E-03 2.2387E-03 2.3164E-03 2.3887E-03 2.6922E-03 2.9288E-03 3.1218E-03 3.4241E-03 3.6541E-03 4.0514E-03 4.3101E-03 4.6322E-03 4.8270E-03 4.9590E-03 5.0552E-03 5.1860E-03 5.2721E-03 5.3981E-03 5.4686E-03 5.5427E-03 5.5881E-03 5.6144E-03 5.6329E-03 5.6574E-03 5.6730E-03 5.6933E-03 5.7052E-03 5.7160E-03 5.7244E-03 5.7285E-03 5.7309E-03 5.7339E-03 5.7363E-03 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 2.3074E-07 6.8437E-06 2.4108E-05 9.8403E-05 1.9615E-04 3.0124E-04 4.0616E-04 5.0803E-04 6.0583E-04 6.9904E-04 7.8747E-04 8.7111E-04 9.4998E-04 1.0253E-03 1.0970E-03 1.1657E-03 1.2929E-03 1.4094E-03 1.5170E-03 1.6168E-03 1.7100E-03 1.7966E-03 1.8778E-03 2.2220E-03 2.4932E-03 2.7161E-03 3.0686E-03 3.3416E-03 3.8310E-03 4.1679E-03 4.6190E-03 4.9130E-03 5.1233E-03 5.2822E-03 5.5105E-03 5.6670E-03 5.9078E-03 6.0464E-03 6.2017E-03 6.2914E-03 6.3511E-03 6.3929E-03 6.4467E-03 6.4825E-03 6.5303E-03 6.5542E-03 6.5841E-03 6.6020E-03 6.6080E-03 6.6200E-03 6.6259E-03 6.6319E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Ag.mat0000644000276300001750000002005013136054446020303 0ustar solebliss00000000000000Ag 1 47 1.000000 5 7 3 3 9 84 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 3.0000E-03 3.3511E-03 3.3511E-03 3.4363E-03 3.5237E-03 3.5237E-03 3.6620E-03 3.8058E-03 3.8058E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 2.5514E-02 2.5514E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 7.8328E+00 4.4417E+01 8.7597E+00 7.4531E+00 7.0177E+00 6.1132E+00 5.8118E+00 5.8118E+00 5.7397E+00 5.6666E+00 5.6666E+00 5.5529E+00 5.4372E+00 5.4372E+00 5.2847E+00 4.5774E+00 3.9962E+00 3.1420E+00 2.5631E+00 1.6782E+00 1.1646E+00 8.2682E-01 8.2682E-01 6.5431E-01 4.2748E-01 3.0170E-01 2.2343E-01 1.3645E-01 9.2341E-02 4.4808E-02 2.6385E-02 1.7334E-02 1.2243E-02 9.1047E-03 7.0344E-03 5.5970E-03 4.5584E-03 3.7837E-03 3.1906E-03 2.7264E-03 2.0567E-03 1.8105E-03 1.6060E-03 1.2885E-03 1.1640E-03 1.1149E-03 7.4755E-04 6.9142E-04 5.9652E-04 5.1988E-04 4.5711E-04 3.6144E-04 2.9293E-04 2.8048E-04 2.4220E-04 1.7350E-04 1.3036E-04 7.3359E-05 4.6963E-05 3.2621E-05 2.3967E-05 1.8351E-05 1.4499E-05 1.1746E-05 9.7086E-06 8.1566E-06 6.9507E-06 5.9904E-06 5.2200E-06 4.5880E-06 3.6250E-06 2.9366E-06 2.4269E-06 2.0394E-06 1.7374E-06 1.4984E-06 1.3053E-06 7.3415E-07 4.6985E-07 3.2626E-07 1.8351E-07 1.1746E-07 5.2200E-08 2.9360E-08 1.3053E-08 7.3415E-09 4.6980E-09 3.2626E-09 1.8351E-09 1.1746E-09 5.2200E-10 2.9360E-10 1.3053E-10 7.3415E-11 4.6980E-11 3.2626E-11 1.8351E-11 1.1746E-11 5.2200E-12 2.9360E-12 1.3053E-12 7.3415E-13 4.6980E-13 3.2626E-13 1.8351E-13 1.1746E-13 INCOHERENT SCATTERING CROSS SECTION 4.9810E-03 3.8421E-03 1.8630E-03 9.1671E-03 1.3455E-02 2.1729E-02 2.4459E-02 2.4459E-02 2.5109E-02 2.5771E-02 2.5771E-02 2.6808E-02 2.7875E-02 2.7875E-02 2.9299E-02 3.6222E-02 4.2670E-02 5.4238E-02 6.3868E-02 8.1007E-02 9.2173E-02 1.0071E-01 1.0071E-01 1.0563E-01 1.1261E-01 1.1624E-01 1.1791E-01 1.1797E-01 1.1601E-01 1.0892E-01 1.0189E-01 9.5727E-02 9.0387E-02 8.5734E-02 8.1677E-02 7.8123E-02 7.4978E-02 7.2165E-02 6.9618E-02 6.7290E-02 6.3179E-02 6.1356E-02 5.9664E-02 5.6617E-02 5.5237E-02 5.4656E-02 4.9447E-02 4.8465E-02 4.6639E-02 4.4976E-02 4.3452E-02 4.0750E-02 3.8410E-02 3.7936E-02 3.6363E-02 3.2966E-02 3.0237E-02 2.5229E-02 2.1790E-02 1.9261E-02 1.7312E-02 1.5755E-02 1.4488E-02 1.3421E-02 1.2517E-02 1.1741E-02 1.1060E-02 1.0462E-02 9.9319E-03 9.4630E-03 8.6479E-03 7.9723E-03 7.4085E-03 6.9228E-03 6.4985E-03 6.1300E-03 5.8062E-03 4.6131E-03 3.8505E-03 3.3179E-03 2.6167E-03 2.1717E-03 1.5465E-03 1.2126E-03 8.5920E-04 6.7329E-04 5.5717E-04 4.7706E-04 3.7260E-04 3.0656E-04 2.1410E-04 1.6570E-04 1.1523E-04 8.8935E-05 7.2689E-05 6.1635E-05 4.7499E-05 3.8784E-05 2.6803E-05 2.0606E-05 1.4208E-05 1.0909E-05 8.8823E-06 7.5090E-06 5.7559E-06 4.6851E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 7.0288E+03 1.3562E+06 3.4272E+04 2.7831E+03 1.3935E+03 5.0748E+02 3.8287E+02 1.2684E+03 1.1918E+03 1.1199E+03 1.5409E+03 1.4023E+03 1.2762E+03 1.4622E+03 1.2997E+03 7.3415E+02 4.5701E+02 2.1321E+02 1.1663E+02 3.8220E+01 1.7100E+01 8.5976E+00 5.4466E+01 3.5920E+01 1.6654E+01 9.0275E+00 5.4249E+00 2.3962E+00 1.2612E+00 3.8890E-01 1.6894E-01 8.9166E-02 5.3395E-02 3.4927E-02 2.4386E-02 1.7900E-02 1.3672E-02 1.0783E-02 8.7204E-03 7.1974E-03 5.1765E-03 4.4992E-03 3.9648E-03 3.1442E-03 2.8071E-03 2.6708E-03 1.8021E-03 1.6775E-03 1.4643E-03 1.2919E-03 1.1519E-03 9.4010E-04 7.8774E-04 7.5983E-04 6.7405E-04 5.1925E-04 4.1938E-04 2.7864E-04 2.0651E-04 1.6324E-04 1.3460E-04 1.1434E-04 9.9263E-05 8.7651E-05 7.8439E-05 7.0958E-05 6.4761E-05 5.9513E-05 5.5097E-05 5.1262E-05 4.4998E-05 4.0085E-05 3.6138E-05 3.2894E-05 3.0181E-05 2.7881E-05 2.5904E-05 1.9121E-05 1.5152E-05 1.2545E-05 9.3346E-06 7.4308E-06 4.9207E-06 3.6786E-06 2.4442E-06 1.8301E-06 1.4627E-06 1.2182E-06 9.1280E-07 7.2968E-07 4.8627E-07 3.6456E-07 2.4297E-07 1.8222E-07 1.4577E-07 1.2143E-07 9.1057E-08 7.2856E-08 4.8571E-08 3.6423E-08 2.4280E-08 1.8211E-08 1.4571E-08 1.2143E-08 9.1057E-09 7.2856E-09 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.6034E-04 2.4916E-04 4.7402E-04 7.5034E-04 1.0681E-03 1.7961E-03 2.6016E-03 2.7842E-03 3.4378E-03 5.1154E-03 6.7385E-03 1.0434E-02 1.3645E-02 1.6419E-02 1.8892E-02 2.1120E-02 2.3147E-02 2.5000E-02 2.6703E-02 2.8272E-02 2.9723E-02 3.1063E-02 3.2297E-02 3.3458E-02 3.5580E-02 3.7472E-02 3.9192E-02 4.0755E-02 4.2179E-02 4.3479E-02 4.4685E-02 4.9565E-02 5.3182E-02 5.5996E-02 6.0183E-02 6.3142E-02 6.7832E-02 7.0623E-02 7.3917E-02 7.5759E-02 7.6988E-02 7.7881E-02 7.9053E-02 7.9835E-02 8.0952E-02 8.1510E-02 8.2180E-02 8.2515E-02 8.2738E-02 8.2906E-02 8.3073E-02 8.3240E-02 8.3408E-02 8.3520E-02 8.3576E-02 8.3631E-02 8.3687E-02 8.3687E-02 8.3743E-02 8.3743E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.0133E-07 3.0043E-06 1.0580E-05 4.3150E-05 8.5920E-05 1.3181E-04 1.7754E-04 2.2181E-04 2.6413E-04 3.0438E-04 3.4245E-04 3.7829E-04 4.1213E-04 4.4434E-04 4.7477E-04 5.0369E-04 5.5728E-04 6.0630E-04 6.5040E-04 6.9172E-04 7.2968E-04 7.6429E-04 7.9723E-04 9.3234E-04 1.0351E-03 1.1166E-03 1.2388E-03 1.3282E-03 1.4761E-03 1.5682E-03 1.6816E-03 1.7491E-03 1.7949E-03 1.8289E-03 1.8753E-03 1.9065E-03 1.9523E-03 1.9780E-03 2.0065E-03 2.0227E-03 2.0327E-03 2.0400E-03 2.0495E-03 2.0556E-03 2.0634E-03 2.0685E-03 2.0729E-03 2.0757E-03 2.0774E-03 2.0785E-03 2.0796E-03 2.0807E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Mo.mat0000644000276300001750000002005013136054446020327 0ustar solebliss00000000000000Mo 1 42 1.000000 5 6 3 3 9 85 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 2.5202E-03 2.5202E-03 2.5721E-03 2.6251E-03 2.6251E-03 2.7427E-03 2.8655E-03 2.8655E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 2.0000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 6.9423E+00 5.1200E+01 7.9270E+00 6.5406E+00 6.1056E+00 5.6656E+00 5.6656E+00 5.6220E+00 5.5777E+00 5.5777E+00 5.4807E+00 5.3813E+00 5.3813E+00 5.2745E+00 4.5565E+00 3.9652E+00 3.4856E+00 2.7738E+00 2.2672E+00 1.4481E+00 9.8925E-01 9.8925E-01 9.8925E-01 5.5834E-01 3.6363E-01 2.5441E-01 1.8737E-01 1.1424E-01 7.7332E-02 3.7405E-02 2.1932E-02 1.4379E-02 1.0144E-02 7.5350E-03 5.8163E-03 4.6246E-03 3.7643E-03 3.1228E-03 2.6319E-03 2.2480E-03 1.6949E-03 1.4920E-03 1.3236E-03 1.0617E-03 9.5850E-04 9.1769E-04 6.1508E-04 5.6892E-04 4.9079E-04 4.2771E-04 3.7612E-04 2.9747E-04 2.4097E-04 2.3068E-04 1.9909E-04 1.4263E-04 1.0721E-04 6.0322E-05 3.8616E-05 2.6815E-05 1.9703E-05 1.5090E-05 1.1920E-05 9.6540E-06 7.9780E-06 6.7038E-06 5.7139E-06 4.9268E-06 4.2916E-06 3.7718E-06 2.9803E-06 2.4141E-06 1.9955E-06 1.6766E-06 1.4286E-06 1.2315E-06 1.0727E-06 6.0353E-07 3.8629E-07 2.6822E-07 1.5090E-07 9.6540E-08 4.2916E-08 2.4141E-08 1.0727E-08 6.0347E-09 3.8622E-09 2.6822E-09 1.5090E-09 9.6540E-10 4.2916E-10 2.4141E-10 1.0727E-10 6.0347E-11 3.8622E-11 2.6822E-11 1.5090E-11 9.6540E-12 4.2916E-12 2.4141E-12 1.0727E-12 6.0347E-13 3.8622E-13 2.6822E-13 1.5090E-13 9.6540E-14 INCOHERENT SCATTERING CROSS SECTION 6.4276E-03 8.2195E-03 2.6428E-03 1.1217E-02 1.5837E-02 2.0450E-02 2.0450E-02 2.0899E-02 2.1354E-02 2.1354E-02 2.2362E-02 2.3407E-02 2.3407E-02 2.4537E-02 3.2496E-02 3.9821E-02 4.6544E-02 5.8050E-02 6.7164E-02 8.3735E-02 9.5096E-02 9.5096E-02 9.5096E-02 1.0872E-01 1.1556E-01 1.1901E-01 1.2039E-01 1.1995E-01 1.1769E-01 1.1016E-01 1.0288E-01 9.6527E-02 9.1079E-02 8.6389E-02 8.2291E-02 7.8668E-02 7.5449E-02 7.2576E-02 6.9988E-02 6.7637E-02 6.3505E-02 6.1671E-02 5.9967E-02 5.6904E-02 5.5526E-02 5.4949E-02 4.9701E-02 4.8712E-02 4.6875E-02 4.5201E-02 4.3663E-02 4.0936E-02 3.8597E-02 3.8126E-02 3.6559E-02 3.3137E-02 3.0381E-02 2.5353E-02 2.1894E-02 1.9352E-02 1.7394E-02 1.5831E-02 1.4556E-02 1.3483E-02 1.2579E-02 1.1794E-02 1.1110E-02 1.0514E-02 9.9804E-03 9.5034E-03 8.6873E-03 8.0094E-03 7.4382E-03 6.9549E-03 6.5281E-03 6.1590E-03 5.8326E-03 4.6349E-03 3.8685E-03 3.3331E-03 2.6288E-03 2.1819E-03 1.5536E-03 1.2184E-03 8.6371E-04 6.7603E-04 5.5984E-04 4.7931E-04 3.7436E-04 3.0801E-04 2.1511E-04 1.6647E-04 1.1575E-04 8.9321E-05 7.3064E-05 6.1948E-05 4.7724E-05 3.8968E-05 2.6928E-05 2.0701E-05 1.4280E-05 1.0960E-05 8.9259E-06 7.5449E-06 5.7855E-06 4.7071E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 4.9356E+03 1.0562E+06 2.4823E+04 1.9182E+03 9.5347E+02 5.3587E+02 1.9729E+03 1.8551E+03 1.7444E+03 2.4273E+03 2.1787E+03 1.9559E+03 2.2371E+03 2.0061E+03 9.6603E+02 5.4101E+02 3.3362E+02 1.5372E+02 8.3421E+01 2.7004E+01 1.1995E+01 7.8462E+01 7.8462E+01 2.7430E+01 1.2460E+01 6.6662E+00 3.9658E+00 1.7281E+00 9.0075E-01 2.7324E-01 1.1751E-01 6.1557E-02 3.6651E-02 2.3871E-02 1.6609E-02 1.2157E-02 9.2648E-03 7.2946E-03 5.8916E-03 4.8574E-03 3.4880E-03 3.0299E-03 2.6687E-03 2.1151E-03 1.8881E-03 1.7965E-03 1.2127E-03 1.1290E-03 9.8586E-04 8.6999E-04 7.7589E-04 6.3360E-04 5.3179E-04 5.1321E-04 4.5589E-04 3.5167E-04 2.8422E-04 1.8938E-04 1.4060E-04 1.1135E-04 9.1895E-05 7.8148E-05 6.7917E-05 6.0002E-05 5.3725E-05 4.8621E-05 4.4391E-05 4.0832E-05 3.7800E-05 3.5182E-05 3.0895E-05 2.7537E-05 2.4832E-05 2.2610E-05 2.0752E-05 1.9170E-05 1.7814E-05 1.3163E-05 1.0432E-05 8.6371E-06 6.4276E-06 5.1201E-06 3.3921E-06 2.5359E-06 1.6854E-06 1.2617E-06 1.0087E-06 8.3986E-07 6.2958E-07 5.0335E-07 3.3532E-07 2.5146E-07 1.6760E-07 1.2567E-07 1.0049E-07 8.3735E-08 6.2833E-08 5.0247E-08 3.3494E-08 2.5120E-08 1.6747E-08 1.2560E-08 1.0049E-08 8.3735E-09 6.2770E-09 5.0241E-09 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.3401E-04 2.0895E-04 4.0005E-04 6.3711E-04 9.1243E-04 1.5507E-03 2.2610E-03 2.4217E-03 2.9994E-03 4.4995E-03 5.9663E-03 9.3150E-03 1.2234E-02 1.4776E-02 1.7048E-02 1.9088E-02 2.0940E-02 2.2641E-02 2.4191E-02 2.5623E-02 2.6941E-02 2.8152E-02 2.9276E-02 3.0337E-02 3.2257E-02 3.3990E-02 3.5565E-02 3.6990E-02 3.8296E-02 3.9488E-02 4.0587E-02 4.5056E-02 4.8364E-02 5.0944E-02 5.4754E-02 5.7459E-02 6.1766E-02 6.4339E-02 6.7352E-02 6.9110E-02 7.0239E-02 7.1055E-02 7.2122E-02 7.2813E-02 7.3817E-02 7.4382E-02 7.5010E-02 7.5324E-02 7.5512E-02 7.5638E-02 7.5826E-02 7.5951E-02 7.6140E-02 7.6203E-02 7.6328E-02 7.6328E-02 7.6391E-02 7.6391E-02 7.6454E-02 7.6454E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.0183E-07 3.0194E-06 1.0633E-05 4.3374E-05 8.6371E-05 1.3251E-04 1.7852E-04 2.2308E-04 2.6570E-04 3.0619E-04 3.4454E-04 3.8070E-04 4.1478E-04 4.4723E-04 4.7799E-04 5.0718E-04 5.6129E-04 6.1050E-04 6.5532E-04 6.9675E-04 7.3503E-04 7.7081E-04 8.0408E-04 9.4092E-04 1.0451E-03 1.1273E-03 1.2523E-03 1.3433E-03 1.4945E-03 1.5900E-03 1.7061E-03 1.7764E-03 1.8247E-03 1.8599E-03 1.9088E-03 1.9415E-03 1.9904E-03 2.0180E-03 2.0482E-03 2.0658E-03 2.0764E-03 2.0846E-03 2.0946E-03 2.1009E-03 2.1097E-03 2.1153E-03 2.1197E-03 2.1229E-03 2.1248E-03 2.1260E-03 2.1273E-03 2.1285E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Nd.mat0000644000276300001750000002150013136054446020316 0ustar solebliss00000000000000Nd 1 60 1.000000 9 4 3 3 3 7 3 3 8 82 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.0050E-03 1.0050E-03 1.1419E-03 1.2974E-03 1.2974E-03 1.3491E-03 1.4028E-03 1.4028E-03 1.5000E-03 1.5753E-03 1.5753E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 6.2079E-03 6.2079E-03 6.4596E-03 6.7215E-03 6.7215E-03 6.9208E-03 7.1260E-03 7.1260E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 4.3569E-02 4.3569E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 9.4023E+00 4.0755E-01 5.0290E+00 9.3939E+00 9.3939E+00 9.2363E+00 9.1059E+00 9.1059E+00 9.0544E+00 8.9973E+00 8.9973E+00 8.8929E+00 8.8136E+00 8.8136E+00 8.3752E+00 7.3732E+00 6.4630E+00 5.6823E+00 5.0268E+00 4.9057E+00 4.9057E+00 4.7614E+00 4.6176E+00 4.6176E+00 4.5148E+00 4.4131E+00 4.4131E+00 4.0085E+00 3.2641E+00 2.1301E+00 1.5293E+00 8.9138E-01 5.7992E-01 5.0936E-01 5.0936E-01 4.1187E-01 3.0929E-01 1.9230E-01 1.3064E-01 6.3628E-02 3.7784E-02 2.5003E-02 1.7744E-02 1.3233E-02 1.0246E-02 8.1688E-03 6.6634E-03 5.5361E-03 4.6719E-03 3.9961E-03 3.0207E-03 2.6616E-03 2.3626E-03 1.8976E-03 1.7147E-03 1.6425E-03 1.1026E-03 1.0202E-03 8.8075E-04 7.6780E-04 6.7499E-04 5.3352E-04 4.3296E-04 4.1479E-04 3.5866E-04 2.5699E-04 1.9293E-04 1.0864E-04 6.9557E-05 4.8306E-05 3.5492E-05 2.7176E-05 2.1472E-05 1.7393E-05 1.4375E-05 1.2079E-05 1.0292E-05 8.8762E-06 7.7323E-06 6.7970E-06 5.3692E-06 4.3504E-06 3.5939E-06 3.0198E-06 2.5735E-06 2.2191E-06 1.9331E-06 1.0872E-06 6.9599E-07 4.8306E-07 2.7180E-07 1.7398E-07 7.7323E-08 4.3504E-08 1.9331E-08 1.0872E-08 6.9599E-09 4.8306E-09 2.7180E-09 1.7398E-09 7.7322E-10 4.3504E-10 1.9331E-10 1.0872E-10 6.9599E-11 4.8306E-11 2.7180E-11 1.7398E-11 7.7322E-12 4.3504E-12 1.9331E-12 1.0872E-12 6.9599E-13 4.8306E-13 2.7180E-13 1.7398E-13 INCOHERENT SCATTERING CROSS SECTION 6.3169E-03 2.6032E+25 1.1865E+04 6.3586E-03 6.3586E-03 7.4559E-03 8.6549E-03 8.6549E-03 9.0570E-03 9.4774E-03 9.4774E-03 1.0237E-02 1.0822E-02 1.0822E-02 1.4066E-02 2.1464E-02 2.8299E-02 3.4482E-02 3.9960E-02 4.1020E-02 4.1020E-02 4.2282E-02 4.3546E-02 4.3546E-02 4.4463E-02 4.5383E-02 4.5383E-02 4.9224E-02 5.6990E-02 7.2438E-02 8.3335E-02 9.6277E-02 1.0304E-01 1.0463E-01 1.0463E-01 1.0672E-01 1.0859E-01 1.0943E-01 1.0822E-01 1.0237E-01 9.6110E-02 9.0492E-02 8.5589E-02 8.1315E-02 7.7573E-02 7.4268E-02 7.1310E-02 6.8636E-02 6.6217E-02 6.4025E-02 6.0172E-02 5.8451E-02 5.6843E-02 5.3946E-02 5.2648E-02 5.2105E-02 4.7178E-02 4.6244E-02 4.4506E-02 4.2920E-02 4.1464E-02 3.8879E-02 3.6649E-02 3.6198E-02 3.4702E-02 3.1463E-02 2.8858E-02 2.4082E-02 2.0800E-02 1.8387E-02 1.6525E-02 1.5043E-02 1.3828E-02 1.2813E-02 1.1949E-02 1.1206E-02 1.0559E-02 9.9868E-03 9.4816E-03 9.0307E-03 8.2541E-03 7.6112E-03 7.0684E-03 6.6050E-03 6.2042E-03 5.8535E-03 5.5403E-03 4.4047E-03 3.6762E-03 3.1672E-03 2.4980E-03 2.0733E-03 1.4763E-03 1.1577E-03 8.2040E-04 6.4254E-04 5.3190E-04 4.5550E-04 3.5572E-04 2.9263E-04 2.0437E-04 1.5819E-04 1.0997E-04 8.4879E-05 6.9432E-05 5.8869E-05 4.5341E-05 3.7025E-05 2.5589E-05 1.9673E-05 1.3565E-05 1.0417E-05 8.4838E-06 7.1686E-06 5.4986E-06 4.4715E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 6.6175E+03 3.7757E-06 1.0916E+01 6.9223E+03 8.5130E+03 7.1015E+03 5.9244E+03 6.8221E+03 6.2559E+03 5.7366E+03 6.0831E+03 5.2648E+03 4.7304E+03 4.9433E+03 2.8700E+03 1.0859E+03 5.3024E+02 3.0044E+02 1.8763E+02 1.7172E+02 4.8431E+02 4.3824E+02 3.9667E+02 5.4109E+02 5.0305E+02 4.6803E+02 5.4026E+02 4.0536E+02 2.2667E+02 7.7030E+01 3.5225E+01 1.1477E+01 5.1270E+00 4.0290E+00 2.3042E+01 1.5978E+01 9.9075E+00 4.5383E+00 2.4487E+00 7.8617E-01 3.5058E-01 1.8851E-01 1.1448E-01 7.5727E-02 5.3357E-02 3.9460E-02 3.0315E-02 2.4016E-02 1.9510E-02 1.6186E-02 1.1707E-02 1.0158E-02 8.9104E-03 7.0537E-03 6.3545E-03 6.0831E-03 4.1003E-03 3.8081E-03 3.3208E-03 2.9309E-03 2.6122E-03 2.1269E-03 1.7798E-03 1.7168E-03 1.5224E-03 1.1688E-03 9.4023E-04 6.2042E-04 4.5759E-04 3.6052E-04 2.9643E-04 2.5121E-04 2.1769E-04 1.9193E-04 1.7151E-04 1.5498E-04 1.4128E-04 1.2980E-04 1.2003E-04 1.1160E-04 9.7864E-05 8.7092E-05 7.8450E-05 7.1352E-05 6.5424E-05 6.0413E-05 5.6113E-05 4.1354E-05 3.2737E-05 2.7084E-05 2.0132E-05 1.6020E-05 1.0605E-05 7.9243E-06 5.2648E-06 3.9400E-06 3.1484E-06 2.6215E-06 1.9644E-06 1.5707E-06 1.0463E-06 7.8450E-07 5.2272E-07 3.9204E-07 3.1359E-07 2.6132E-07 1.9598E-07 1.5677E-07 1.0450E-07 7.8366E-08 5.2230E-08 3.9183E-08 3.1347E-08 2.6123E-08 1.9589E-08 1.5673E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 2.3184E-04 3.6006E-04 6.8219E-04 1.0713E-03 1.5081E-03 2.4723E-03 3.5021E-03 3.7329E-03 4.5517E-03 6.6075E-03 8.5547E-03 1.2909E-02 1.6650E-02 1.9865E-02 2.2717E-02 2.5276E-02 2.7597E-02 2.9731E-02 3.1701E-02 3.3522E-02 3.5225E-02 3.6799E-02 3.8265E-02 3.9622E-02 4.2085E-02 4.4298E-02 4.6260E-02 4.8097E-02 4.9725E-02 5.1270E-02 5.2648E-02 5.8326E-02 6.2543E-02 6.5841E-02 7.0684E-02 7.4108E-02 7.9577E-02 8.2834E-02 8.6633E-02 8.8846E-02 9.0265E-02 9.1309E-02 9.2687E-02 9.3564E-02 9.4858E-02 9.5568E-02 9.6319E-02 9.6737E-02 9.6987E-02 9.7154E-02 9.7405E-02 9.7530E-02 9.7739E-02 9.7864E-02 9.7989E-02 9.8031E-02 9.8073E-02 9.8114E-02 9.8156E-02 9.8156E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.6674E-08 2.8658E-06 1.0091E-05 4.1145E-05 8.1873E-05 1.2559E-04 1.6909E-04 2.1118E-04 2.5138E-04 2.8958E-04 3.2566E-04 3.5968E-04 3.9171E-04 4.2210E-04 4.5091E-04 4.7846E-04 5.2898E-04 5.7491E-04 6.1708E-04 6.5549E-04 6.9098E-04 7.2396E-04 7.5485E-04 8.8136E-04 9.7697E-04 1.0530E-03 1.1665E-03 1.2492E-03 1.3857E-03 1.4713E-03 1.5757E-03 1.6387E-03 1.6817E-03 1.7130E-03 1.7569E-03 1.7857E-03 1.8291E-03 1.8542E-03 1.8813E-03 1.8976E-03 1.9072E-03 1.9143E-03 1.9235E-03 1.9293E-03 1.9372E-03 1.9422E-03 1.9464E-03 1.9493E-03 1.9510E-03 1.9523E-03 1.9535E-03 1.9544E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Sm.mat0000644000276300001750000002205213136054446020337 0ustar solebliss00000000000000Sm 1 62 1.000000 10 4 3 3 3 3 7 3 3 8 82 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.0802E-03 1.0802E-03 1.0930E-03 1.1060E-03 1.1060E-03 1.2531E-03 1.4198E-03 1.4198E-03 1.5000E-03 1.5407E-03 1.5407E-03 1.6292E-03 1.7228E-03 1.7228E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 6.7162E-03 6.7162E-03 7.0077E-03 7.3118E-03 7.3118E-03 7.5213E-03 7.7368E-03 7.7368E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 4.6834E-02 4.6834E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 9.6684E+00 2.4404E+00 9.9721E+00 9.5883E+00 9.5883E+00 9.5763E+00 9.5643E+00 9.5643E+00 9.4252E+00 9.2559E+00 9.2559E+00 9.1718E+00 9.1317E+00 9.1317E+00 9.0413E+00 8.9435E+00 8.9435E+00 8.6631E+00 7.6618E+00 6.7367E+00 5.9316E+00 5.2507E+00 4.8302E+00 4.8302E+00 4.6741E+00 4.5178E+00 4.5178E+00 4.4132E+00 4.3095E+00 4.3095E+00 4.1894E+00 3.4100E+00 2.2164E+00 1.5884E+00 9.3040E-01 6.0518E-01 4.7541E-01 4.7541E-01 4.2935E-01 3.2269E-01 2.0114E-01 1.3682E-01 6.6646E-02 3.9611E-02 2.6236E-02 1.8636E-02 1.3910E-02 1.0774E-02 8.5874E-03 7.0050E-03 5.8240E-03 4.9183E-03 4.2078E-03 3.1802E-03 2.8020E-03 2.4875E-03 1.9984E-03 1.8059E-03 1.7298E-03 1.1619E-03 1.0749E-03 9.2778E-04 8.0904E-04 7.1199E-04 5.6376E-04 4.5659E-04 4.3696E-04 3.7691E-04 2.7018E-04 2.0334E-04 1.1451E-04 7.3294E-05 5.0905E-05 3.7412E-05 2.8645E-05 2.2633E-05 1.8336E-05 1.5151E-05 1.2732E-05 1.0850E-05 9.3560E-06 8.1505E-06 7.1612E-06 5.6593E-06 4.5859E-06 3.7889E-06 3.1837E-06 2.7127E-06 2.3390E-06 2.0374E-06 1.1463E-06 7.3334E-07 5.0945E-07 2.8653E-07 1.8336E-07 8.1505E-08 4.5859E-08 2.0374E-08 1.1459E-08 7.3334E-09 5.0945E-09 2.8653E-09 1.8336E-09 8.1505E-10 4.5859E-10 2.0374E-10 1.1459E-10 7.3334E-11 5.0945E-11 2.8653E-11 1.8336E-11 8.1505E-12 4.5859E-12 2.0374E-12 1.1459E-12 7.3334E-13 5.0945E-13 2.8653E-13 1.8336E-13 INCOHERENT SCATTERING CROSS SECTION 5.9356E-03 1.0830E+00 3.0274E-03 6.5564E-03 6.5564E-03 6.6561E-03 6.7567E-03 6.7567E-03 7.8576E-03 9.0757E-03 9.0757E-03 9.6724E-03 9.9768E-03 9.9768E-03 1.0633E-02 1.1319E-02 1.1319E-02 1.3333E-02 2.0446E-02 2.7031E-02 3.3022E-02 3.8369E-02 4.1854E-02 4.1854E-02 4.3184E-02 4.4537E-02 4.4537E-02 4.5457E-02 4.6380E-02 4.6380E-02 4.7461E-02 5.5111E-02 7.0330E-02 8.1304E-02 9.4481E-02 1.0137E-01 1.0417E-01 1.0417E-01 1.0509E-01 1.0706E-01 1.0798E-01 1.0690E-01 1.0121E-01 9.5082E-02 8.9573E-02 8.4749E-02 8.0529E-02 7.6819E-02 7.3536E-02 7.0611E-02 6.7985E-02 6.5604E-02 6.3429E-02 5.9603E-02 5.7914E-02 5.6351E-02 5.3505E-02 5.2187E-02 5.1626E-02 4.6740E-02 4.5823E-02 4.4107E-02 4.2535E-02 4.1090E-02 3.8527E-02 3.6323E-02 3.5878E-02 3.4401E-02 3.1191E-02 2.8605E-02 2.3871E-02 2.0618E-02 1.8223E-02 1.6381E-02 1.4911E-02 1.3706E-02 1.2700E-02 1.1847E-02 1.1110E-02 1.0465E-02 9.9007E-03 9.4001E-03 8.9515E-03 8.1825E-03 7.5457E-03 7.0090E-03 6.5484E-03 6.1519E-03 5.8035E-03 5.4951E-03 4.3656E-03 3.6439E-03 3.1396E-03 2.4760E-03 2.0550E-03 1.4635E-03 1.1475E-03 8.1344E-04 6.3682E-04 5.2748E-04 4.5138E-04 3.5261E-04 2.9009E-04 2.0258E-04 1.5680E-04 1.0902E-04 8.4148E-05 6.8808E-05 5.8355E-05 4.4938E-05 3.6703E-05 2.5365E-05 1.9501E-05 1.3449E-05 1.0325E-05 8.4068E-06 7.1091E-06 5.4510E-06 4.4337E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 2.0971E+03 1.4958E+05 7.5768E+03 1.8179E+03 2.5144E+03 3.7402E+03 5.5511E+03 6.7847E+03 5.9704E+03 5.2548E+03 6.0638E+03 5.3469E+03 5.0385E+03 5.3469E+03 4.7271E+03 4.1814E+03 4.3696E+03 3.1116E+03 1.1859E+03 5.8035E+02 3.2966E+02 2.0622E+02 1.5388E+02 4.2855E+02 3.8452E+02 3.4504E+02 4.7101E+02 4.3936E+02 4.0973E+02 4.7341E+02 4.3576E+02 2.4648E+02 8.4028E+01 3.8582E+01 1.2628E+01 5.6553E+00 3.6295E+00 2.0418E+01 1.7210E+01 1.0642E+01 4.9023E+00 2.6578E+00 8.5910E-01 3.8453E-01 2.0733E-01 1.2620E-01 8.3654E-02 5.9036E-02 4.3704E-02 3.3603E-02 2.6640E-02 2.1656E-02 1.7973E-02 1.3011E-02 1.1295E-02 9.9131E-03 7.8509E-03 7.0691E-03 6.7647E-03 4.5619E-03 4.2369E-03 3.6934E-03 3.2586E-03 2.9041E-03 2.3649E-03 1.9781E-03 1.9077E-03 1.6905E-03 1.2970E-03 1.0433E-03 6.8848E-04 5.0745E-04 3.9939E-04 3.2826E-04 2.7808E-04 2.4091E-04 2.1235E-04 1.8972E-04 1.7138E-04 1.5624E-04 1.4354E-04 1.3269E-04 1.2340E-04 1.0814E-04 9.6244E-05 8.6671E-05 7.8821E-05 7.2293E-05 6.6726E-05 6.2000E-05 4.5659E-05 3.6150E-05 2.9906E-05 2.2229E-05 1.7687E-05 1.1703E-05 8.7472E-06 5.8075E-06 4.3496E-06 3.4749E-06 2.8937E-06 2.1680E-06 1.7334E-06 1.1547E-06 8.6591E-07 5.7714E-07 4.3256E-07 3.4608E-07 2.8837E-07 2.1628E-07 1.7302E-07 1.1535E-07 8.6511E-08 5.7674E-08 4.3256E-08 3.4596E-08 2.8829E-08 2.1620E-08 1.7298E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 2.4319E-04 3.7789E-04 7.1623E-04 1.1242E-03 1.5808E-03 2.5828E-03 3.6455E-03 3.8830E-03 4.7239E-03 6.8295E-03 8.8193E-03 1.3257E-02 1.7054E-02 2.0322E-02 2.3214E-02 2.5809E-02 2.8168E-02 3.0331E-02 3.2330E-02 3.4184E-02 3.5914E-02 3.7516E-02 3.9006E-02 4.0372E-02 4.2895E-02 4.5138E-02 4.7141E-02 4.8983E-02 5.0665E-02 5.2227E-02 5.3629E-02 5.9436E-02 6.3722E-02 6.7046E-02 7.1972E-02 7.5497E-02 8.1024E-02 8.4348E-02 8.8193E-02 9.0396E-02 9.1878E-02 9.2919E-02 9.4281E-02 9.5202E-02 9.6484E-02 9.7205E-02 9.7966E-02 9.8366E-02 9.8647E-02 9.8807E-02 9.9047E-02 9.9207E-02 9.9408E-02 9.9528E-02 9.9648E-02 9.9688E-02 9.9728E-02 9.9768E-02 9.9808E-02 9.9808E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.5834E-08 2.8405E-06 1.0001E-05 4.0772E-05 8.1144E-05 1.2444E-04 1.6754E-04 2.0923E-04 2.4908E-04 2.8689E-04 3.2265E-04 3.5634E-04 3.8802E-04 4.1814E-04 4.4657E-04 4.7381E-04 5.2387E-04 5.6913E-04 6.1078E-04 6.4923E-04 6.8408E-04 7.1692E-04 7.4736E-04 8.7232E-04 9.6684E-04 1.0417E-03 1.1539E-03 1.2352E-03 1.3694E-03 1.4531E-03 1.5552E-03 1.6169E-03 1.6585E-03 1.6894E-03 1.7318E-03 1.7603E-03 1.8027E-03 1.8267E-03 1.8532E-03 1.8684E-03 1.8780E-03 1.8848E-03 1.8936E-03 1.8996E-03 1.9073E-03 1.9117E-03 1.9161E-03 1.9189E-03 1.9205E-03 1.9217E-03 1.9225E-03 1.9237E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Er.mat0000644000276300001750000002174213136054446020333 0ustar solebliss00000000000000Er 1 68 1.000000 10 4 3 3 3 3 7 3 3 8 81 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.4093E-03 1.4093E-03 1.4311E-03 1.4533E-03 1.4533E-03 1.5000E-03 1.8118E-03 1.8118E-03 2.0000E-03 2.0058E-03 2.0058E-03 2.1038E-03 2.2065E-03 2.2065E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 8.3579E-03 8.3579E-03 8.7994E-03 9.2643E-03 9.2643E-03 9.5047E-03 9.7513E-03 9.7513E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 5.7485E-02 5.7485E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.0560E+01 5.8435E+01 1.1716E+01 1.0186E+01 1.0186E+01 1.0164E+01 1.0143E+01 1.0143E+01 1.0096E+01 9.7969E+00 9.7969E+00 9.6060E+00 9.5988E+00 9.5988E+00 9.4913E+00 9.3936E+00 9.3936E+00 8.6123E+00 7.6582E+00 6.7905E+00 6.0380E+00 4.8318E+00 4.6518E+00 4.6518E+00 4.4443E+00 4.2377E+00 4.2377E+00 4.1343E+00 4.0325E+00 4.0325E+00 3.9353E+00 2.5390E+00 1.8028E+00 1.0643E+00 6.9597E-01 4.9218E-01 3.9533E-01 3.9533E-01 3.6941E-01 2.3158E-01 1.5820E-01 7.7158E-02 4.5942E-02 3.0507E-02 2.1718E-02 1.6236E-02 1.2591E-02 1.0046E-02 8.2019E-03 6.8229E-03 5.7643E-03 4.9337E-03 3.7315E-03 3.2887E-03 2.9201E-03 2.3472E-03 2.1221E-03 2.0332E-03 1.3664E-03 1.2643E-03 1.0916E-03 9.5196E-04 8.3737E-04 6.6255E-04 5.3755E-04 5.1487E-04 4.4494E-04 3.1891E-04 2.3961E-04 1.3495E-04 8.6411E-05 6.0020E-05 4.4106E-05 3.3769E-05 2.6683E-05 2.1614E-05 1.7866E-05 1.5010E-05 1.2792E-05 1.1028E-05 9.6060E-06 8.4431E-06 6.6717E-06 5.4043E-06 4.4682E-06 3.7517E-06 3.1979E-06 2.7576E-06 2.4022E-06 1.3513E-06 8.6483E-07 6.0056E-07 3.3780E-07 2.1617E-07 9.6096E-08 5.4043E-08 2.4019E-08 1.3513E-08 8.6483E-09 6.0056E-09 3.3780E-09 2.1617E-09 9.6096E-10 5.4043E-10 2.4019E-10 1.3513E-10 8.6483E-11 6.0056E-11 3.3780E-11 2.1617E-11 9.6096E-12 5.4043E-12 2.4019E-12 1.3513E-12 8.6483E-13 6.0056E-13 3.3780E-13 2.1617E-13 INCOHERENT SCATTERING CROSS SECTION 5.0154E-03 3.7696E-03 2.2270E-03 7.7014E-03 7.7014E-03 7.8443E-03 7.9894E-03 7.9894E-03 8.2955E-03 1.0308E-02 1.0308E-02 1.1529E-02 1.1565E-02 1.1565E-02 1.2189E-02 1.2861E-02 1.2861E-02 1.7945E-02 2.3979E-02 2.9545E-02 3.4604E-02 4.3350E-02 4.4754E-02 4.4754E-02 4.6458E-02 4.8174E-02 4.8174E-02 4.9015E-02 4.9866E-02 4.9866E-02 5.0731E-02 6.5384E-02 7.6330E-02 9.0192E-02 9.7573E-02 1.0161E-01 1.0337E-01 1.0337E-01 1.0377E-01 1.0503E-01 1.0423E-01 9.9085E-02 9.3252E-02 8.7926E-02 8.3243E-02 7.9144E-02 7.5538E-02 7.2342E-02 6.9489E-02 6.6923E-02 6.4592E-02 6.2460E-02 5.8698E-02 5.7031E-02 5.5487E-02 5.2692E-02 5.1415E-02 5.0875E-02 4.6050E-02 4.5142E-02 4.3452E-02 4.1909E-02 4.0493E-02 3.7976E-02 3.5803E-02 3.5364E-02 3.3906E-02 3.0744E-02 2.8199E-02 2.3533E-02 2.0325E-02 1.7970E-02 1.6152E-02 1.4701E-02 1.3513E-02 1.2522E-02 1.1680E-02 1.0953E-02 1.0319E-02 9.7609E-03 9.2676E-03 8.8247E-03 8.0686E-03 7.4386E-03 6.9093E-03 6.4556E-03 6.0632E-03 5.7211E-03 5.4151E-03 4.3026E-03 3.5929E-03 3.0957E-03 2.4415E-03 2.0263E-03 1.4431E-03 1.1313E-03 8.0182E-04 6.2792E-04 5.1991E-04 4.4502E-04 3.4766E-04 2.8602E-04 1.9975E-04 1.5460E-04 1.0751E-04 8.2991E-05 6.7833E-05 5.7535E-05 4.4322E-05 3.6185E-05 2.5009E-05 1.9226E-05 1.3261E-05 1.0179E-05 8.2883E-06 7.0065E-06 5.3719E-06 4.3710E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 2.7371E+03 2.4899E+05 1.0642E+04 1.3977E+03 2.0292E+03 2.9621E+03 4.3206E+03 4.8606E+03 6.0596E+03 3.8309E+03 4.4430E+03 3.5133E+03 3.4896E+03 3.7085E+03 3.3271E+03 2.9859E+03 3.1173E+03 1.5176E+03 7.5106E+02 4.2918E+02 2.6964E+02 1.2814E+02 1.1431E+02 3.0788E+02 2.6924E+02 2.3547E+02 3.2282E+02 3.0310E+02 2.8454E+02 3.2890E+02 3.0892E+02 1.0801E+02 5.0154E+01 1.6645E+01 7.5214E+00 4.0397E+00 2.7338E+00 1.4636E+01 1.3145E+01 6.1424E+00 3.3657E+00 1.1089E+00 5.0226E-01 2.7322E-01 1.6742E-01 1.1153E-01 7.9030E-02 5.8724E-02 4.5294E-02 3.5999E-02 2.9322E-02 2.4375E-02 1.7686E-02 1.5367E-02 1.3497E-02 1.0701E-02 9.6384E-03 9.2244E-03 6.2180E-03 5.7735E-03 5.0302E-03 4.4358E-03 3.9515E-03 3.2161E-03 2.6899E-03 2.5941E-03 2.2986E-03 1.7613E-03 1.4146E-03 9.3108E-04 6.8481E-04 5.3827E-04 4.4214E-04 3.7409E-04 3.2383E-04 2.8523E-04 2.5473E-04 2.3000E-04 2.0958E-04 1.9244E-04 1.7786E-04 1.6533E-04 1.4485E-04 1.2886E-04 1.1601E-04 1.0549E-04 9.6708E-05 8.9256E-05 8.2883E-05 6.1028E-05 4.8282E-05 3.9929E-05 2.9671E-05 2.3601E-05 1.5615E-05 1.1666E-05 7.7482E-06 5.8003E-06 4.6338E-06 3.8597E-06 2.8912E-06 2.3119E-06 1.5399E-06 1.1547E-06 7.6942E-07 5.7679E-07 4.6158E-07 3.8453E-07 2.8836E-07 2.3068E-07 1.5378E-07 1.1532E-07 7.6870E-08 5.7679E-08 4.6122E-08 3.8453E-08 2.8829E-08 2.3065E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 2.8163E-04 4.3862E-04 8.3304E-04 1.3062E-03 1.8300E-03 2.9584E-03 4.1369E-03 4.3998E-03 5.3243E-03 7.6006E-03 9.7213E-03 1.4434E-02 1.8431E-02 2.1869E-02 2.4904E-02 2.7630E-02 3.0107E-02 3.2379E-02 3.4482E-02 3.6437E-02 3.8273E-02 3.9965E-02 4.1513E-02 4.2990E-02 4.5654E-02 4.7994E-02 5.0154E-02 5.2099E-02 5.3863E-02 5.5519E-02 5.7031E-02 6.3152E-02 6.7725E-02 7.1253E-02 7.6474E-02 8.0182E-02 8.6015E-02 8.9472E-02 9.3504E-02 9.5808E-02 9.7321E-02 9.8401E-02 9.9841E-02 1.0074E-01 1.0211E-01 1.0283E-01 1.0362E-01 1.0405E-01 1.0431E-01 1.0449E-01 1.0474E-01 1.0488E-01 1.0510E-01 1.0521E-01 1.0535E-01 1.0539E-01 1.0542E-01 1.0546E-01 1.0549E-01 1.0553E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.4390E-08 2.7984E-06 9.8545E-06 4.0181E-05 7.9930E-05 1.2260E-04 1.6501E-04 2.0605E-04 2.4526E-04 2.8246E-04 3.1760E-04 3.5069E-04 3.8201E-04 4.1153E-04 4.3962E-04 4.6590E-04 5.1523E-04 5.5987E-04 6.0056E-04 6.3800E-04 6.7257E-04 7.0425E-04 7.3413E-04 8.5619E-04 9.4800E-04 1.0207E-03 1.1295E-03 1.2080E-03 1.3369E-03 1.4171E-03 1.5144E-03 1.5727E-03 1.6123E-03 1.6411E-03 1.6811E-03 1.7077E-03 1.7469E-03 1.7696E-03 1.7938E-03 1.8085E-03 1.8172E-03 1.8233E-03 1.8316E-03 1.8370E-03 1.8438E-03 1.8481E-03 1.8521E-03 1.8546E-03 1.8560E-03 1.8571E-03 1.8582E-03 1.8589E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/C.mat0000644000276300001750000001642013136054446020144 0ustar solebliss00000000000000Carbon 1 6 1.000000 1 96 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 2.5000E-01 3.0000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.0790E+00 6.8049E+01 1.4084E+00 9.5865E-01 8.3180E-01 6.1269E-01 4.6022E-01 3.5949E-01 2.9176E-01 2.0963E-01 1.6205E-01 9.7870E-02 6.4779E-02 3.3648E-02 2.0452E-02 1.3708E-02 9.8071E-03 5.7108E-03 3.7193E-03 1.6847E-03 9.5414E-04 6.1278E-04 6.1278E-04 4.2638E-04 2.4026E-04 1.8995E-04 1.5393E-04 1.2725E-04 1.0695E-04 9.1133E-05 6.8454E-05 6.0166E-05 5.3298E-05 4.2674E-05 3.8516E-05 3.6877E-05 2.4653E-05 2.2793E-05 1.9654E-05 1.7122E-05 1.5050E-05 1.1893E-05 9.6316E-06 9.2205E-06 7.9579E-06 5.6984E-06 4.2813E-06 2.4082E-06 1.5413E-06 1.0705E-06 7.8617E-07 6.0216E-07 4.7571E-07 3.8531E-07 3.1848E-07 2.6759E-07 2.2803E-07 1.9659E-07 1.7127E-07 1.5052E-07 1.1893E-07 9.6316E-08 7.9620E-08 6.6885E-08 5.7007E-08 4.9151E-08 4.2813E-08 2.4082E-08 1.5413E-08 1.0705E-08 6.0216E-09 3.8526E-09 1.7122E-09 9.6316E-10 4.2803E-10 2.4077E-10 1.5408E-10 1.0700E-10 6.0216E-11 3.8526E-11 1.7122E-11 9.6316E-12 4.2803E-12 2.4077E-12 1.5408E-12 1.0700E-12 6.0216E-13 3.8526E-13 1.7122E-13 9.6316E-14 4.2803E-14 2.4077E-14 1.5408E-14 1.0700E-14 6.0216E-15 3.8526E-15 INCOHERENT SCATTERING CROSS SECTION 1.2630E-02 6.9268E-03 4.1567E-03 2.5074E-02 3.8617E-02 6.4077E-02 8.4483E-02 9.9475E-02 1.1041E-01 1.2520E-01 1.3522E-01 1.5102E-01 1.5954E-01 1.6546E-01 1.6526E-01 1.6295E-01 1.5984E-01 1.5312E-01 1.4661E-01 1.3272E-01 1.2189E-01 1.1326E-01 1.1326E-01 1.0619E-01 9.5213E-02 9.0841E-02 8.6990E-02 8.3554E-02 8.0472E-02 7.7694E-02 7.2844E-02 7.0695E-02 6.8699E-02 6.5144E-02 6.3576E-02 6.2924E-02 5.6857E-02 5.5715E-02 5.3609E-02 5.1693E-02 4.9928E-02 4.6790E-02 4.4097E-02 4.3555E-02 4.1756E-02 3.7845E-02 3.4696E-02 2.8940E-02 2.4994E-02 2.2091E-02 1.9855E-02 1.8070E-02 1.6611E-02 1.5388E-02 1.4355E-02 1.3462E-02 1.2680E-02 1.1998E-02 1.1391E-02 1.0845E-02 9.9124E-03 9.1403E-03 8.4935E-03 7.9369E-03 7.4506E-03 7.0294E-03 6.6534E-03 5.2896E-03 4.4147E-03 3.8035E-03 2.9998E-03 2.4899E-03 1.7729E-03 1.3903E-03 9.8522E-04 7.7163E-04 6.3876E-04 5.4701E-04 4.2718E-04 3.5142E-04 2.4543E-04 1.8997E-04 1.3206E-04 1.0193E-04 8.3380E-05 7.0695E-05 5.4450E-05 4.4463E-05 3.0730E-05 2.3625E-05 1.6290E-05 1.2510E-05 1.0188E-05 8.6088E-06 6.6032E-06 5.3698E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 2.2096E+03 7.7239E+06 1.6271E+04 6.9943E+02 3.0168E+02 8.9648E+01 3.7238E+01 1.8657E+01 1.0544E+01 4.2412E+00 2.0757E+00 5.5854E-01 2.1765E-01 5.7058E-02 2.1931E-02 1.0424E-02 5.6707E-03 2.1695E-03 1.0313E-03 2.7060E-04 1.0634E-04 5.2354E-05 5.2354E-05 2.9802E-05 1.2715E-05 9.1099E-06 6.8389E-06 5.3312E-06 4.2527E-06 3.4450E-06 2.4341E-06 2.1444E-06 1.9425E-06 1.5629E-06 1.3332E-06 1.2294E-06 8.3481E-07 7.8593E-07 6.8905E-07 6.0617E-07 5.4163E-07 4.4879E-07 3.8261E-07 3.7022E-07 3.3180E-07 2.6117E-07 2.1469E-07 1.4776E-07 1.1226E-07 9.0350E-08 7.5559E-08 6.4879E-08 5.6857E-08 5.0590E-08 4.5531E-08 4.1404E-08 3.7960E-08 3.5042E-08 3.2540E-08 3.0374E-08 2.6799E-08 2.3976E-08 2.1690E-08 1.9800E-08 1.8215E-08 1.6862E-08 1.5698E-08 1.1667E-08 9.2806E-09 7.7063E-09 5.7559E-09 4.5907E-09 3.0489E-09 2.2828E-09 1.5192E-09 1.1381E-09 9.1001E-10 7.5809E-10 5.6807E-10 4.5451E-10 3.0289E-10 2.2713E-10 1.5137E-10 1.1351E-10 9.0801E-11 7.5659E-11 5.6757E-11 4.5405E-11 3.0269E-11 2.2703E-11 1.5132E-11 1.1351E-11 9.0801E-12 7.5659E-12 5.6757E-12 4.5400E-12 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 1.4390E-05 2.3353E-05 4.7756E-05 7.9921E-05 1.1868E-04 2.1156E-04 3.1868E-04 3.4355E-04 4.3393E-04 6.7313E-04 9.1252E-04 1.4816E-03 1.9885E-03 2.4448E-03 2.8514E-03 3.2179E-03 3.5508E-03 3.8536E-03 4.1289E-03 4.3816E-03 4.6173E-03 4.8359E-03 5.0389E-03 5.2345E-03 5.5854E-03 5.9013E-03 6.1921E-03 6.4528E-03 6.6935E-03 6.9141E-03 7.1197E-03 7.9620E-03 8.5937E-03 9.1001E-03 9.8622E-03 1.0424E-02 1.1366E-02 1.1953E-02 1.2675E-02 1.3101E-02 1.3387E-02 1.3598E-02 1.3878E-02 1.4064E-02 1.4335E-02 1.4485E-02 1.4650E-02 1.4736E-02 1.4796E-02 1.4831E-02 1.4886E-02 1.4916E-02 1.4961E-02 1.4986E-02 1.5011E-02 1.5027E-02 1.5032E-02 1.5042E-02 1.5047E-02 1.5052E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 1.1611E-07 3.4450E-06 1.2139E-05 4.9562E-05 9.8773E-05 1.5167E-04 2.0452E-04 2.5581E-04 3.0499E-04 3.5187E-04 3.9640E-04 4.3846E-04 4.7822E-04 5.1643E-04 5.5253E-04 5.8662E-04 6.5080E-04 7.0946E-04 7.6361E-04 8.1375E-04 8.5988E-04 9.0350E-04 9.4411E-04 1.1151E-03 1.2484E-03 1.3567E-03 1.5247E-03 1.6516E-03 1.8722E-03 2.0176E-03 2.2046E-03 2.3214E-03 2.4026E-03 2.4638E-03 2.5490E-03 2.6062E-03 2.6934E-03 2.7431E-03 2.7977E-03 2.8298E-03 2.8499E-03 2.8639E-03 2.8825E-03 2.8945E-03 2.9105E-03 2.9201E-03 2.9291E-03 2.9351E-03 2.9381E-03 2.9406E-03 2.9431E-03 2.9446E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Cs.mat0000644000276300001750000002066413136054446020334 0ustar solebliss00000000000000Cesium 1 55 1.000000 7 4 3 7 3 3 8 83 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.0650E-03 1.0650E-03 1.1385E-03 1.2171E-03 1.2171E-03 1.5000E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 5.0119E-03 5.0119E-03 5.1827E-03 5.3594E-03 5.3594E-03 5.5340E-03 5.7143E-03 5.7143E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 3.5985E-02 3.5985E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 2.5000E-01 3.0000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 8.5503E+00 3.4738E+04 1.1475E+01 8.4914E+00 8.4914E+00 8.4221E+00 8.3464E+00 8.3464E+00 8.0745E+00 7.5761E+00 6.5928E+00 5.7455E+00 5.0432E+00 5.0341E+00 5.0341E+00 4.9212E+00 4.8211E+00 4.8211E+00 4.7211E+00 4.6172E+00 4.6172E+00 4.4586E+00 3.5479E+00 2.8863E+00 1.8985E+00 1.3593E+00 7.7890E-01 5.9449E-01 5.9449E-01 5.0704E-01 3.6045E-01 2.6978E-01 1.6643E-01 1.1278E-01 5.4872E-02 3.2506E-02 2.1457E-02 2.1457E-02 1.5197E-02 8.7542E-03 6.9746E-03 5.6866E-03 4.7231E-03 3.9847E-03 3.4071E-03 2.5731E-03 2.2660E-03 2.0104E-03 1.6138E-03 1.4586E-03 1.3974E-03 9.3749E-04 8.6718E-04 7.4841E-04 6.5248E-04 5.7387E-04 4.5391E-04 3.6793E-04 3.5230E-04 3.0422E-04 2.1797E-04 1.6380E-04 9.2209E-05 5.9041E-05 4.1002E-05 3.0128E-05 2.3068E-05 1.8224E-05 1.4762E-05 1.2202E-05 1.0254E-05 8.7360E-06 7.5308E-06 6.5611E-06 5.7681E-06 4.5583E-06 3.6915E-06 3.0508E-06 2.5633E-06 2.1840E-06 1.8831E-06 1.6407E-06 9.2299E-07 5.9041E-07 4.1016E-07 2.3073E-07 1.4767E-07 6.5611E-08 3.6911E-08 1.6407E-08 9.2299E-09 5.9041E-09 4.1011E-09 2.3068E-09 1.4762E-09 6.5611E-10 3.6911E-10 1.6407E-10 9.2299E-11 5.9041E-11 4.1011E-11 2.3068E-11 1.4762E-11 6.5611E-12 3.6911E-12 1.6407E-12 9.2299E-13 5.9041E-13 4.1011E-13 2.3068E-13 1.4762E-13 INCOHERENT SCATTERING CROSS SECTION 5.8814E-03 1.5722E+03 3.5751E-03 6.3934E-03 6.3934E-03 6.9734E-03 7.5942E-03 7.5942E-03 9.8643E-03 1.3992E-02 2.2035E-02 2.9407E-02 3.5819E-02 3.5891E-02 3.5891E-02 3.6904E-02 3.7908E-02 3.7908E-02 3.8870E-02 3.9847E-02 3.9847E-02 4.1369E-02 5.0794E-02 5.8905E-02 7.4628E-02 8.5186E-02 9.7601E-02 1.0200E-01 1.0200E-01 1.0417E-01 1.0771E-01 1.0947E-01 1.1006E-01 1.0861E-01 1.0240E-01 9.6015E-02 9.0344E-02 9.0344E-02 8.5412E-02 7.7347E-02 7.4015E-02 7.1048E-02 6.8385E-02 6.5973E-02 6.3773E-02 5.9898E-02 5.8180E-02 5.6586E-02 5.3719E-02 5.2425E-02 5.1882E-02 4.6943E-02 4.6008E-02 4.4273E-02 4.2692E-02 4.1246E-02 3.8682E-02 3.6467E-02 3.6018E-02 3.4530E-02 3.1308E-02 2.8714E-02 2.3956E-02 2.0694E-02 1.8292E-02 1.6444E-02 1.4966E-02 1.3757E-02 1.2746E-02 1.1890E-02 1.1151E-02 1.0503E-02 9.9368E-03 9.4338E-03 8.9853E-03 8.2104E-03 7.5715E-03 7.0323E-03 6.5747E-03 6.1714E-03 5.8225E-03 5.5144E-03 4.3812E-03 3.6571E-03 3.1510E-03 2.4849E-03 2.0626E-03 1.4690E-03 1.1518E-03 8.1606E-04 6.3934E-04 5.2924E-04 4.5311E-04 3.5388E-04 2.9113E-04 2.0331E-04 1.5737E-04 1.0943E-04 8.4461E-05 6.9055E-05 5.8542E-05 4.5117E-05 3.6834E-05 2.5456E-05 1.9570E-05 1.3498E-05 1.0363E-05 8.4370E-06 7.1320E-06 5.4691E-06 4.4496E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 9.3568E+03 1.1413E+06 3.9734E+04 8.2059E+03 8.6771E+03 7.5548E+03 6.5792E+03 6.8828E+03 4.3272E+03 2.2180E+03 8.2512E+02 3.9969E+02 2.2529E+02 2.2397E+02 6.6245E+02 6.0881E+02 5.5960E+02 7.6440E+02 7.0541E+02 6.5113E+02 7.4990E+02 6.6653E+02 3.1786E+02 1.7635E+02 5.9086E+01 2.6775E+01 8.6318E+00 5.1655E+00 3.0735E+01 2.3195E+01 1.2927E+01 7.8706E+00 3.5597E+00 1.9031E+00 6.0174E-01 2.6557E-01 1.4177E-01 1.4177E-01 8.5639E-02 3.9607E-02 2.9206E-02 2.2384E-02 1.7698E-02 1.4355E-02 1.1894E-02 8.5890E-03 7.4492E-03 6.5330E-03 5.1687E-03 4.6535E-03 4.4532E-03 3.0028E-03 2.7895E-03 2.4333E-03 2.1482E-03 1.9154E-03 1.5608E-03 1.3068E-03 1.2606E-03 1.1180E-03 8.5904E-04 6.9191E-04 4.5810E-04 3.3834E-04 2.6684E-04 2.1962E-04 1.8628E-04 1.6154E-04 1.4250E-04 1.2742E-04 1.1518E-04 1.0503E-04 9.6513E-05 8.9309E-05 8.3056E-05 7.2815E-05 6.4841E-05 5.8452E-05 5.3150E-05 4.8755E-05 4.5031E-05 4.1827E-05 3.0848E-05 2.4427E-05 2.0218E-05 1.5030E-05 1.1962E-05 7.9204E-06 5.9177E-06 3.9321E-06 2.9439E-06 2.3526E-06 1.9593E-06 1.4681E-06 1.1736E-06 7.8208E-07 5.8633E-07 3.9072E-07 2.9298E-07 2.3435E-07 1.9529E-07 1.4645E-07 1.1718E-07 7.8117E-08 5.8588E-08 3.9045E-08 2.9285E-08 2.3426E-08 1.9520E-08 1.4640E-08 1.1713E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 1.9874E-04 3.0834E-04 5.8404E-04 9.1892E-04 1.2984E-03 2.1487E-03 3.0694E-03 3.2765E-03 4.0137E-03 5.8829E-03 7.6712E-03 1.1704E-02 1.5179E-02 1.8170E-02 2.0830E-02 2.3218E-02 2.5388E-02 2.7377E-02 2.9212E-02 3.0911E-02 3.2493E-02 3.3956E-02 3.5307E-02 3.6562E-02 3.8841E-02 4.0885E-02 4.2738E-02 4.4423E-02 4.5946E-02 4.7350E-02 4.8664E-02 5.3921E-02 5.7817E-02 6.0899E-02 6.5384E-02 6.8556E-02 7.3631E-02 7.6667E-02 8.0201E-02 8.2240E-02 8.3600E-02 8.4551E-02 8.5820E-02 8.6681E-02 8.7859E-02 8.8493E-02 8.9218E-02 8.9581E-02 8.9853E-02 8.9989E-02 9.0215E-02 9.0351E-02 9.0578E-02 9.0668E-02 9.0759E-02 9.0804E-02 9.0849E-02 9.0895E-02 9.0895E-02 9.0940E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 9.6165E-08 2.8512E-06 1.0041E-05 4.0952E-05 8.1515E-05 1.2501E-04 1.6838E-04 2.1029E-04 2.5039E-04 2.8845E-04 3.2448E-04 3.5837E-04 3.9031E-04 4.2072E-04 4.4944E-04 4.7668E-04 5.2743E-04 5.7319E-04 6.1533E-04 6.5384E-04 6.8964E-04 7.2226E-04 7.5308E-04 8.7995E-04 9.7601E-04 1.0521E-03 1.1668E-03 1.2501E-03 1.3883E-03 1.4749E-03 1.5809E-03 1.6444E-03 1.6883E-03 1.7200E-03 1.7644E-03 1.7939E-03 1.8378E-03 1.8628E-03 1.8904E-03 1.9067E-03 1.9162E-03 1.9235E-03 1.9325E-03 1.9389E-03 1.9466E-03 1.9516E-03 1.9561E-03 1.9588E-03 1.9606E-03 1.9615E-03 1.9629E-03 1.9638E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Cr.mat0000644000276300001750000001666213136054446020336 0ustar solebliss00000000000000Chromium 1 24 1.000000 2 9 89 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 5.9892E-03 5.9892E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 2.5000E-01 3.0000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 4.1405E+00 3.5071E+01 4.8134E+00 3.8637E+00 3.5730E+00 3.0182E+00 2.5318E+00 2.1288E+00 1.8079E+00 1.8079E+00 1.8045E+00 1.3458E+00 1.0545E+00 6.6283E-01 4.5725E-01 2.4936E-01 1.5728E-01 1.0916E-01 8.0529E-02 4.9049E-02 3.2881E-02 1.5497E-02 8.9760E-03 5.8437E-03 5.8437E-03 4.1012E-03 2.3338E-03 1.8509E-03 1.5033E-03 1.2447E-03 1.0472E-03 8.9330E-04 6.7214E-04 5.9114E-04 5.2392E-04 4.1977E-04 3.7896E-04 3.6286E-04 2.4287E-04 2.2459E-04 1.9369E-04 1.6875E-04 1.4833E-04 1.1722E-04 9.4972E-05 9.0929E-05 7.8503E-05 5.6217E-05 4.2228E-05 2.3754E-05 1.5207E-05 1.0559E-05 7.7576E-06 5.9404E-06 4.6930E-06 3.8012E-06 3.1422E-06 2.6395E-06 2.2492E-06 1.9400E-06 1.6898E-06 1.4848E-06 1.1732E-06 9.5041E-07 7.8548E-07 6.6005E-07 5.6242E-07 4.8493E-07 4.2239E-07 2.3766E-07 1.5207E-07 1.0559E-07 5.9404E-08 3.8012E-08 1.6898E-08 9.5029E-09 4.2239E-09 2.3754E-09 1.5207E-09 1.0559E-09 5.9392E-10 3.8012E-10 1.6898E-10 9.5029E-11 4.2239E-11 2.3754E-11 1.5207E-11 1.0559E-11 5.9392E-12 3.8012E-12 1.6898E-12 9.5029E-13 4.2239E-13 2.3754E-13 1.5207E-13 1.0559E-13 5.9392E-14 3.8012E-14 INCOHERENT SCATTERING CROSS SECTION 8.5440E-03 1.0762E-02 3.5136E-03 1.4906E-02 2.1056E-02 3.2800E-02 4.3571E-02 5.3277E-02 6.1882E-02 6.1882E-02 6.1975E-02 7.6580E-02 8.7849E-02 1.0631E-01 1.1744E-01 1.2937E-01 1.3412E-01 1.3551E-01 1.3528E-01 1.3284E-01 1.2914E-01 1.1929E-01 1.1063E-01 1.0332E-01 1.0332E-01 9.7161E-02 8.7420E-02 8.3484E-02 8.0008E-02 7.6906E-02 7.4113E-02 7.1577E-02 6.7145E-02 6.5195E-02 6.3392E-02 6.0143E-02 5.8662E-02 5.8037E-02 5.2478E-02 5.1432E-02 4.9484E-02 4.7706E-02 4.6077E-02 4.3194E-02 4.0722E-02 4.0224E-02 3.8567E-02 3.4958E-02 3.2047E-02 2.6731E-02 2.3094E-02 2.0407E-02 1.8346E-02 1.6690E-02 1.5346E-02 1.4223E-02 1.3261E-02 1.2439E-02 1.1721E-02 1.1085E-02 1.0524E-02 1.0022E-02 9.1601E-03 8.4467E-03 7.8456E-03 7.3313E-03 6.8843E-03 6.4940E-03 6.1500E-03 4.8864E-03 4.0791E-03 3.5139E-03 2.7715E-03 2.3002E-03 1.6388E-03 1.2844E-03 9.1045E-04 7.1310E-04 5.9021E-04 5.0543E-04 3.9471E-04 3.2476E-04 2.2677E-04 1.7547E-04 1.2207E-04 9.4207E-05 7.7020E-05 6.5310E-05 5.0323E-05 4.1081E-05 2.8399E-05 2.1832E-05 1.5056E-05 1.1558E-05 9.4115E-06 7.9556E-06 6.1002E-06 4.9628E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 7.4008E+03 2.3157E+06 4.1731E+04 2.6905E+03 1.2740E+03 4.3085E+02 1.9620E+02 1.0578E+02 6.3863E+01 5.1400E+02 5.1424E+02 2.4994E+02 1.3759E+02 4.4949E+01 1.9805E+01 6.0550E+00 2.5642E+00 1.3064E+00 7.4819E-01 3.0854E-01 1.5462E-01 4.3988E-02 1.8172E-02 9.2545E-03 9.2545E-03 5.3960E-03 2.3754E-03 1.7204E-03 1.3006E-03 1.0182E-03 8.1838E-04 6.7152E-04 4.7933E-04 4.1637E-04 3.6742E-04 2.9141E-04 2.5897E-04 2.4565E-04 1.6620E-04 1.5504E-04 1.3573E-04 1.1999E-04 1.0719E-04 8.7879E-05 7.4089E-05 7.1576E-05 6.3804E-05 4.9582E-05 4.0317E-05 2.7206E-05 2.0396E-05 1.6249E-05 1.3493E-05 1.1519E-05 1.0044E-05 8.8995E-06 7.9880E-06 7.2433E-06 6.6260E-06 6.1037E-06 5.6578E-06 5.2732E-06 4.6397E-06 4.1417E-06 3.7398E-06 3.4097E-06 3.1329E-06 2.8966E-06 2.6939E-06 1.9956E-06 1.5844E-06 1.3134E-06 9.7890E-07 7.8016E-07 5.1748E-07 3.8707E-07 2.5735E-07 1.9284E-07 1.5416E-07 1.2833E-07 9.6211E-08 7.6939E-08 5.1261E-08 3.8440E-08 2.5619E-08 1.9214E-08 1.5369E-08 1.2810E-08 9.6049E-09 7.6834E-09 5.1215E-09 3.8417E-09 2.5608E-09 1.9203E-09 1.5369E-09 1.2798E-09 9.6026E-10 7.6823E-10 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 6.2646E-05 9.9553E-05 1.9695E-04 3.2221E-04 4.7174E-04 8.2957E-04 1.2416E-03 1.3366E-03 1.6792E-03 2.5699E-03 3.4468E-03 5.5188E-03 7.3499E-03 8.9829E-03 1.0435E-02 1.1744E-02 1.2925E-02 1.3991E-02 1.4964E-02 1.5856E-02 1.6678E-02 1.7454E-02 1.8160E-02 1.8832E-02 2.0071E-02 2.1160E-02 2.2156E-02 2.3060E-02 2.3882E-02 2.4646E-02 2.5353E-02 2.8214E-02 3.0356E-02 3.2036E-02 3.4537E-02 3.6321E-02 3.9216E-02 4.0965E-02 4.3027E-02 4.4220E-02 4.5007E-02 4.5575E-02 4.6339E-02 4.6826E-02 4.7544E-02 4.7937E-02 4.8354E-02 4.8586E-02 4.8725E-02 4.8829E-02 4.8957E-02 4.9038E-02 4.9154E-02 4.9223E-02 4.9281E-02 4.9316E-02 4.9339E-02 4.9350E-02 4.9374E-02 4.9385E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 1.0728E-07 3.1829E-06 1.1215E-05 4.5783E-05 9.1207E-05 1.4003E-04 1.8878E-04 2.3604E-04 2.8121E-04 3.2429E-04 3.6506E-04 4.0363E-04 4.4000E-04 4.7463E-04 5.0752E-04 5.3879E-04 5.9682E-04 6.4974E-04 6.9839E-04 7.4321E-04 7.8479E-04 8.2336E-04 8.5938E-04 1.0096E-03 1.1248E-03 1.2173E-03 1.3586E-03 1.4616E-03 1.6365E-03 1.7477E-03 1.8855E-03 1.9701E-03 2.0280E-03 2.0708E-03 2.1299E-03 2.1693E-03 2.2284E-03 2.2631E-03 2.3002E-03 2.3222E-03 2.3349E-03 2.3442E-03 2.3569E-03 2.3650E-03 2.3766E-03 2.3824E-03 2.3882E-03 2.3928E-03 2.3951E-03 2.3963E-03 2.3986E-03 2.3998E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Br.mat0000644000276300001750000002005013136054446020317 0ustar solebliss00000000000000Br 1 35 1.000000 5 5 3 3 9 86 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 1.5499E-03 1.5499E-03 1.5728E-03 1.5960E-03 1.5960E-03 1.6864E-03 1.7820E-03 1.7820E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.3474E-02 1.3474E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 5.8334E+00 5.7342E+01 6.6657E+00 5.5116E+00 5.4754E+00 5.4754E+00 5.4586E+00 5.4415E+00 5.4415E+00 5.3772E+00 5.3096E+00 5.3096E+00 5.1476E+00 4.4391E+00 3.8437E+00 3.3606E+00 2.9597E+00 2.3228E+00 1.8457E+00 1.2865E+00 1.2865E+00 1.1222E+00 7.6498E-01 4.3261E-01 2.7660E-01 1.9121E-01 1.4048E-01 8.5692E-02 5.7972E-02 2.7788E-02 1.6204E-02 1.0590E-02 7.4561E-03 5.5314E-03 4.2650E-03 3.3875E-03 2.7547E-03 2.2835E-03 1.9234E-03 1.6420E-03 1.2368E-03 1.0883E-03 9.6499E-04 7.7376E-04 6.9873E-04 6.6911E-04 4.4806E-04 4.1437E-04 3.5745E-04 3.1149E-04 2.7385E-04 2.1645E-04 1.7538E-04 1.6792E-04 1.4498E-04 1.0383E-04 7.8005E-05 4.3894E-05 2.8097E-05 1.9513E-05 1.4335E-05 1.0973E-05 8.6748E-06 7.0250E-06 5.8055E-06 4.8785E-06 4.1573E-06 3.5845E-06 3.1225E-06 2.7441E-06 2.1683E-06 1.7561E-06 1.4516E-06 1.2194E-06 1.0393E-06 8.9612E-07 7.8080E-07 4.3909E-07 2.8104E-07 1.9513E-07 1.0973E-07 7.0250E-08 3.1225E-08 1.7561E-08 7.8080E-09 4.3909E-09 2.8097E-09 1.9513E-09 1.0973E-09 7.0250E-10 3.1225E-10 1.7561E-10 7.8080E-11 4.3909E-11 2.8097E-11 1.9513E-11 1.0973E-11 7.0250E-12 3.1225E-12 1.7561E-12 7.8080E-13 4.3909E-13 2.8097E-13 1.9513E-13 1.0973E-13 7.0250E-14 INCOHERENT SCATTERING CROSS SECTION 5.1732E-03 1.0515E-02 1.7964E-03 1.0084E-02 1.0597E-02 1.0597E-02 1.0835E-02 1.1079E-02 1.1079E-02 1.2023E-02 1.3016E-02 1.3016E-02 1.5284E-02 2.5173E-02 3.3923E-02 4.1490E-02 4.8114E-02 5.9480E-02 6.9059E-02 8.2527E-02 8.2527E-02 8.7275E-02 9.9409E-02 1.1305E-01 1.1961E-01 1.2247E-01 1.2330E-01 1.2217E-01 1.1946E-01 1.1139E-01 1.0378E-01 9.7184E-02 9.1571E-02 8.6774E-02 8.2602E-02 7.8925E-02 7.5669E-02 7.2770E-02 7.0159E-02 6.7783E-02 6.3611E-02 6.1771E-02 6.0068E-02 5.7000E-02 5.5606E-02 5.5018E-02 4.9757E-02 4.8766E-02 4.6923E-02 4.5243E-02 4.3705E-02 4.0981E-02 3.8633E-02 3.8158E-02 3.6581E-02 3.3157E-02 3.0403E-02 2.5369E-02 2.1909E-02 1.9362E-02 1.7410E-02 1.5842E-02 1.4561E-02 1.3491E-02 1.2586E-02 1.1802E-02 1.1117E-02 1.0521E-02 9.9861E-03 9.5113E-03 8.6898E-03 8.0191E-03 7.4455E-03 6.9571E-03 6.5336E-03 6.1628E-03 5.8357E-03 4.6373E-03 3.8709E-03 3.3350E-03 2.6303E-03 2.1834E-03 1.5548E-03 1.2187E-03 8.6371E-04 6.7665E-04 5.6013E-04 4.7956E-04 3.7457E-04 3.0818E-04 2.1517E-04 1.6656E-04 1.1584E-04 8.9385E-05 7.3091E-05 6.1982E-05 4.7753E-05 3.8987E-05 2.6944E-05 2.0718E-05 1.4290E-05 1.0966E-05 8.9310E-06 7.5518E-06 5.7890E-06 4.7097E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 2.6183E+03 6.3167E+05 1.3651E+04 9.9635E+02 9.2023E+02 4.3065E+03 3.9306E+03 3.5875E+03 5.0971E+03 4.4952E+03 3.9643E+03 4.4889E+03 3.4021E+03 1.2262E+03 5.7761E+02 3.1790E+02 1.9384E+02 8.7878E+01 4.7202E+01 2.0394E+01 1.4568E+02 1.1064E+02 5.1792E+01 1.6988E+01 7.5043E+00 3.9500E+00 2.3183E+00 9.9032E-01 5.0865E-01 1.5073E-01 6.3851E-02 3.3103E-02 1.9558E-02 1.2660E-02 8.7652E-03 6.3898E-03 4.8544E-03 3.8130E-03 3.0735E-03 2.5295E-03 1.8121E-03 1.5737E-03 1.3864E-03 1.0988E-03 9.7977E-04 9.3154E-04 6.2916E-04 5.8612E-04 5.1231E-04 4.5243E-04 4.0371E-04 3.3002E-04 2.7743E-04 2.6785E-04 2.3826E-04 1.8421E-04 1.4915E-04 9.9861E-05 7.4372E-05 5.9028E-05 4.8823E-05 4.1573E-05 3.6169E-05 3.1993E-05 2.8670E-05 2.5964E-05 2.3718E-05 2.1834E-05 2.0221E-05 1.8827E-05 1.6543E-05 1.4757E-05 1.3310E-05 1.2127E-05 1.1132E-05 1.0288E-05 9.5641E-06 7.0732E-06 5.6096E-06 4.6479E-06 3.4609E-06 2.7562E-06 1.8269E-06 1.3664E-06 9.0817E-07 6.8011E-07 5.4355E-07 4.5273E-07 3.3930E-07 2.7132E-07 1.8073E-07 1.3551E-07 9.0365E-08 6.7740E-08 5.4181E-08 4.5152E-08 3.3862E-08 2.7087E-08 1.8058E-08 1.3543E-08 9.0290E-09 6.7710E-09 5.4166E-09 4.5137E-09 3.3855E-09 2.7079E-09 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.0092E-04 1.5848E-04 3.0719E-04 4.9418E-04 7.1357E-04 1.2280E-03 1.8073E-03 1.9392E-03 2.4149E-03 3.6583E-03 4.8830E-03 7.7101E-03 1.0190E-02 1.2368E-02 1.4312E-02 1.6061E-02 1.7643E-02 1.9090E-02 2.0409E-02 2.1623E-02 2.2731E-02 2.3763E-02 2.4720E-02 2.5617E-02 2.7260E-02 2.8730E-02 3.0064E-02 3.1285E-02 3.2393E-02 3.3410E-02 3.4345E-02 3.8173E-02 4.1022E-02 4.3238E-02 4.6524E-02 4.8853E-02 5.2569E-02 5.4784E-02 5.7362E-02 5.8847E-02 5.9819E-02 6.0520E-02 6.1447E-02 6.2050E-02 6.2924E-02 6.3399E-02 6.3911E-02 6.4183E-02 6.4356E-02 6.4477E-02 6.4635E-02 6.4740E-02 6.4876E-02 6.4951E-02 6.5027E-02 6.5072E-02 6.5095E-02 6.5110E-02 6.5140E-02 6.5147E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.0187E-07 3.0211E-06 1.0642E-05 4.3419E-05 8.6446E-05 1.3272E-04 1.7885E-04 2.2354E-04 2.6627E-04 3.0697E-04 3.4541E-04 3.8173E-04 4.1603E-04 4.4866E-04 4.7956E-04 5.0895E-04 5.6352E-04 6.1319E-04 6.5863E-04 7.0054E-04 7.3928E-04 7.7553E-04 8.0869E-04 9.4812E-04 1.0536E-03 1.1380E-03 1.2654E-03 1.3581E-03 1.5126E-03 1.6098E-03 1.7297E-03 1.8020E-03 1.8510E-03 1.8872E-03 1.9369E-03 1.9701E-03 2.0191E-03 2.0470E-03 2.0771E-03 2.0952E-03 2.1058E-03 2.1140E-03 2.1238E-03 2.1306E-03 2.1389E-03 2.1442E-03 2.1487E-03 2.1517E-03 2.1540E-03 2.1547E-03 2.1563E-03 2.1570E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Ti.mat0000644000276300001750000001666213136054446020346 0ustar solebliss00000000000000Ti 1 22 1.000000 2 8 90 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 3.0000E-03 4.0000E-03 4.9664E-03 4.9664E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 3.6915E+00 3.8236E+01 4.4255E+00 3.3871E+00 3.0928E+00 2.5809E+00 2.1571E+00 1.8237E+00 1.8237E+00 1.8137E+00 1.5408E+00 1.1600E+00 9.2030E-01 5.8536E-01 4.0060E-01 2.1696E-01 1.3710E-01 9.5275E-02 7.0246E-02 4.2638E-02 2.8501E-02 1.3395E-02 7.7490E-03 5.0393E-03 3.5343E-03 2.6136E-03 2.0099E-03 1.5928E-03 1.2930E-03 1.0704E-03 9.0068E-04 7.6828E-04 5.7797E-04 5.0826E-04 4.5042E-04 3.6084E-04 3.2576E-04 3.1192E-04 2.0866E-04 1.9295E-04 1.6643E-04 1.4502E-04 1.2748E-04 1.0073E-04 8.1603E-05 7.8132E-05 6.7458E-05 4.8308E-05 3.6286E-05 2.0413E-05 1.3068E-05 9.0735E-06 6.6661E-06 5.1040E-06 4.0324E-06 3.2664E-06 2.6991E-06 2.2677E-06 1.9332E-06 1.6665E-06 1.4515E-06 1.2754E-06 1.0081E-06 8.1666E-07 6.7491E-07 5.6712E-07 4.8323E-07 4.1669E-07 3.6299E-07 2.0413E-07 1.3068E-07 9.0735E-08 5.1040E-08 3.2664E-08 1.4515E-08 8.1654E-09 3.6286E-09 2.0413E-09 1.3068E-09 9.0735E-10 5.1040E-10 3.2664E-10 1.4515E-10 8.1654E-11 3.6286E-11 2.0413E-11 1.3068E-11 9.0735E-12 5.1040E-12 3.2664E-12 1.4515E-12 8.1654E-13 3.6286E-13 2.0413E-13 1.3068E-13 9.0735E-14 5.1040E-14 3.2664E-14 INCOHERENT SCATTERING CROSS SECTION 1.1819E-02 4.9067E-02 5.4368E-03 1.9495E-02 2.6186E-02 3.8374E-02 4.9405E-02 5.8838E-02 5.8838E-02 5.9140E-02 6.7692E-02 8.1578E-02 9.1929E-02 1.0898E-01 1.1964E-01 1.3081E-01 1.3496E-01 1.3609E-01 1.3571E-01 1.3307E-01 1.2917E-01 1.1918E-01 1.1037E-01 1.0300E-01 9.6835E-02 9.1598E-02 8.7087E-02 8.3151E-02 7.9679E-02 7.6587E-02 7.3805E-02 7.1281E-02 6.6862E-02 6.4913E-02 6.3108E-02 5.9864E-02 5.8398E-02 5.7781E-02 5.2247E-02 5.1205E-02 4.9265E-02 4.7493E-02 4.5865E-02 4.2988E-02 4.0537E-02 4.0047E-02 3.8410E-02 3.4816E-02 3.1909E-02 2.6614E-02 2.2992E-02 2.0313E-02 1.8263E-02 1.6615E-02 1.5282E-02 1.4150E-02 1.3206E-02 1.2381E-02 1.1664E-02 1.1036E-02 1.0477E-02 9.9765E-03 9.1187E-03 8.4081E-03 7.8107E-03 7.2988E-03 6.8535E-03 6.4649E-03 6.1215E-03 4.8650E-03 4.0600E-03 3.4991E-03 2.7595E-03 2.2904E-03 1.6313E-03 1.2791E-03 9.0634E-04 7.0988E-04 5.8762E-04 5.0310E-04 3.9292E-04 3.2324E-04 2.2577E-04 1.7470E-04 1.2149E-04 9.3778E-05 7.6673E-05 6.5013E-05 5.0096E-05 4.0902E-05 2.8262E-05 2.1734E-05 1.4980E-05 1.1505E-05 9.3690E-06 7.9201E-06 6.0724E-06 4.9405E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 5.8649E+03 2.0421E+06 3.4153E+04 2.0929E+03 9.8294E+02 3.2966E+02 1.4955E+02 8.1918E+01 6.8585E+02 6.8196E+02 4.3078E+02 2.0112E+02 1.0966E+02 3.5179E+01 1.5332E+01 4.6235E+00 1.9407E+00 9.8206E-01 5.6008E-01 2.2954E-01 1.1441E-01 3.2287E-02 1.3269E-02 6.7353E-03 3.9179E-03 2.5064E-03 1.7194E-03 1.2442E-03 9.3980E-04 7.3494E-04 5.9014E-04 4.8391E-04 3.4526E-04 2.9997E-04 2.6482E-04 2.1006E-04 1.8653E-04 1.7684E-04 1.1969E-04 1.1167E-04 9.7762E-05 8.6420E-05 7.7230E-05 6.3377E-05 5.3467E-05 5.1656E-05 4.6061E-05 3.5841E-05 2.9180E-05 1.9722E-05 1.4804E-05 1.1808E-05 9.8067E-06 8.3779E-06 7.3076E-06 6.4787E-06 5.8159E-06 5.2763E-06 4.8273E-06 4.4474E-06 4.1229E-06 3.8424E-06 3.3821E-06 3.0199E-06 2.7281E-06 2.4866E-06 2.2853E-06 2.1130E-06 1.9659E-06 1.4565E-06 1.1566E-06 9.5916E-07 7.1491E-07 5.6976E-07 3.7796E-07 2.8274E-07 1.8803E-07 1.4087E-07 1.1261E-07 9.3791E-08 7.0296E-08 5.6222E-08 3.7456E-08 2.8086E-08 1.8715E-08 1.4037E-08 1.1229E-08 9.3577E-09 7.0183E-09 5.6146E-09 3.7431E-09 2.8073E-09 1.8715E-09 1.4037E-09 1.1227E-09 9.3552E-10 7.0170E-10 5.6134E-10 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 5.5681E-05 8.8745E-05 1.7640E-04 2.8954E-04 4.2472E-04 7.4860E-04 1.1237E-03 1.2107E-03 1.5246E-03 2.3370E-03 3.1343E-03 5.0285E-03 6.7051E-03 8.2031E-03 9.5338E-03 1.0731E-02 1.1815E-02 1.2791E-02 1.3684E-02 1.4502E-02 1.5269E-02 1.5961E-02 1.6628E-02 1.7244E-02 1.8363E-02 1.9382E-02 2.0288E-02 2.1118E-02 2.1872E-02 2.2577E-02 2.3218E-02 2.5859E-02 2.7822E-02 2.9356E-02 3.1658E-02 3.3305E-02 3.5972E-02 3.7594E-02 3.9506E-02 4.0626E-02 4.1368E-02 4.1908E-02 4.2625E-02 4.3091E-02 4.3770E-02 4.4135E-02 4.4537E-02 4.4751E-02 4.4889E-02 4.4990E-02 4.5116E-02 4.5191E-02 4.5304E-02 4.5367E-02 4.5418E-02 4.5455E-02 4.5480E-02 4.5493E-02 4.5506E-02 4.5518E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.0678E-07 3.1681E-06 1.1164E-05 4.5581E-05 9.0810E-05 1.3949E-04 1.8791E-04 2.3495E-04 2.8010E-04 3.2299E-04 3.6362E-04 4.0198E-04 4.3820E-04 4.7279E-04 5.0562E-04 5.3681E-04 5.9467E-04 6.4749E-04 6.9604E-04 7.4082E-04 7.8220E-04 8.2081E-04 8.5678E-04 1.0068E-03 1.1223E-03 1.2149E-03 1.3559E-03 1.4615E-03 1.6376E-03 1.7508E-03 1.8929E-03 1.9797E-03 2.0401E-03 2.0854E-03 2.1482E-03 2.1910E-03 2.2539E-03 2.2916E-03 2.3319E-03 2.3558E-03 2.3709E-03 2.3809E-03 2.3948E-03 2.4036E-03 2.4161E-03 2.4237E-03 2.4300E-03 2.4350E-03 2.4375E-03 2.4388E-03 2.4413E-03 2.4426E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Np.mat0000644000276300001750000002266213136054446020344 0ustar solebliss00000000000000Np 1 93 1.000000 13 4 3 3 4 3 3 3 3 6 3 3 8 78 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.0868E-03 1.0868E-03 1.2012E-03 1.3277E-03 1.3277E-03 1.5000E-03 1.5007E-03 1.5007E-03 2.0000E-03 3.0000E-03 3.6658E-03 3.6658E-03 3.7569E-03 3.8503E-03 3.8503E-03 4.0000E-03 4.4347E-03 4.4347E-03 5.0000E-03 5.3662E-03 5.3662E-03 5.5418E-03 5.7232E-03 5.7232E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 1.7610E-02 1.7610E-02 2.0000E-02 2.1600E-02 2.1600E-02 2.2010E-02 2.2427E-02 2.2427E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.1868E-01 1.1868E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.3940E+01 2.0479E-02 1.2396E+01 1.3833E+01 1.3833E+01 1.3718E+01 1.3543E+01 1.3543E+01 1.3312E+01 1.3312E+01 1.3312E+01 1.2649E+01 1.1338E+01 1.0525E+01 1.0525E+01 1.0420E+01 1.0312E+01 1.0312E+01 1.0139E+01 9.6665E+00 9.6665E+00 9.0923E+00 8.7443E+00 8.7443E+00 8.5859E+00 8.4267E+00 8.4267E+00 8.1905E+00 6.7475E+00 5.6500E+00 3.8437E+00 3.2188E+00 3.2188E+00 2.7717E+00 2.5224E+00 2.5224E+00 2.4642E+00 2.4068E+00 2.4068E+00 1.6345E+00 1.0988E+00 7.9313E-01 5.9726E-01 3.7523E-01 2.6040E-01 1.9526E-01 1.9526E-01 1.3038E-01 7.8119E-02 5.2255E-02 3.7523E-02 2.8282E-02 2.2089E-02 1.7730E-02 1.4544E-02 1.2145E-02 1.0294E-02 8.8360E-03 6.7162E-03 5.9320E-03 5.2777E-03 4.2555E-03 3.8514E-03 3.6913E-03 2.4935E-03 2.3095E-03 1.9975E-03 1.7445E-03 1.5367E-03 1.2185E-03 9.8977E-04 9.4810E-04 8.1982E-04 5.8892E-04 4.4331E-04 2.5006E-04 1.6028E-04 1.1140E-04 8.1879E-05 6.2724E-05 4.9565E-05 4.0165E-05 3.3204E-05 2.7894E-05 2.3769E-05 2.0497E-05 1.7854E-05 1.5692E-05 1.2400E-05 1.0045E-05 8.3023E-06 6.9761E-06 5.9447E-06 5.1267E-06 4.4636E-06 2.5115E-06 1.6074E-06 1.1163E-06 6.2800E-07 4.0190E-07 1.7859E-07 1.0045E-07 4.4661E-08 2.5115E-08 1.6074E-08 1.1163E-08 6.2800E-09 4.0190E-09 1.7860E-09 1.0045E-09 4.4661E-10 2.5115E-10 1.6074E-10 1.1163E-10 6.2800E-11 4.0190E-11 1.7860E-11 1.0045E-11 4.4661E-12 2.5115E-12 1.6074E-12 1.1163E-12 6.2800E-13 4.0190E-13 INCOHERENT SCATTERING CROSS SECTION 4.5195E-03 5.1645E+17 6.8013E-03 5.0454E-03 5.0454E-03 5.6928E-03 6.4503E-03 6.4503E-03 7.4690E-03 7.4715E-03 7.4715E-03 1.0380E-02 1.6028E-02 1.9569E-02 1.9569E-02 2.0037E-02 2.0512E-02 2.0512E-02 2.1264E-02 2.3395E-02 2.3395E-02 2.6014E-02 2.7640E-02 2.7640E-02 2.8385E-02 2.9139E-02 2.9139E-02 3.0282E-02 3.7777E-02 4.4382E-02 5.7669E-02 6.2927E-02 6.2927E-02 6.7068E-02 6.9507E-02 6.9507E-02 7.0105E-02 7.0701E-02 7.0701E-02 7.9288E-02 8.6833E-02 9.1508E-02 9.4251E-02 9.6436E-02 9.6411E-02 9.5445E-02 9.5445E-02 9.2854E-02 8.8053E-02 8.3396E-02 7.9186E-02 7.5450E-02 7.2124E-02 6.9148E-02 6.6484E-02 6.4090E-02 6.1911E-02 5.9909E-02 5.6355E-02 5.4772E-02 5.3301E-02 5.0643E-02 4.9438E-02 4.8929E-02 4.4331E-02 4.3465E-02 4.1851E-02 4.0368E-02 3.8993E-02 3.6554E-02 3.4500E-02 3.4093E-02 3.2724E-02 2.9666E-02 2.7183E-02 2.2697E-02 1.9607E-02 1.7334E-02 1.5583E-02 1.4183E-02 1.3038E-02 1.2082E-02 1.1270E-02 1.0568E-02 9.9561E-03 9.4201E-03 8.9425E-03 8.5157E-03 7.7840E-03 7.1794E-03 6.6687E-03 6.2318E-03 5.8507E-03 5.5204E-03 5.2257E-03 4.1537E-03 3.4677E-03 2.9876E-03 2.3558E-03 1.9554E-03 1.3924E-03 1.0919E-03 7.7383E-04 6.0616E-04 5.0174E-04 4.2959E-04 3.3560E-04 2.7589E-04 1.9275E-04 1.4918E-04 1.0373E-04 8.0076E-05 6.5468E-05 5.5509E-05 4.2782E-05 3.4931E-05 2.4134E-05 1.8553E-05 1.2796E-05 9.8240E-06 7.9999E-06 6.7627E-06 5.1851E-06 4.2172E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 6.9380E+03 4.1656E+05 2.3799E+04 5.9828E+03 6.3664E+03 5.2741E+03 4.3696E+03 4.4280E+03 3.4754E+03 3.4728E+03 3.5389E+03 1.9490E+03 7.9771E+02 5.0428E+02 1.2055E+03 1.1338E+03 1.0667E+03 1.5118E+03 1.3800E+03 1.0695E+03 1.2464E+03 9.2321E+02 7.7078E+02 8.1803E+02 7.5527E+02 6.9736E+02 7.2708E+02 6.4858E+02 3.1807E+02 1.8175E+02 6.4477E+01 4.2578E+01 1.0136E+02 7.1616E+01 5.8228E+01 8.2946E+01 7.8957E+01 7.5147E+01 8.6706E+01 4.1435E+01 1.9590E+01 1.0876E+01 6.6941E+00 3.0943E+00 1.6963E+00 1.0685E+00 4.4788E+00 2.4724E+00 1.1864E+00 6.7180E-01 4.2451E-01 2.9001E-01 2.0987E-01 1.5870E-01 1.2420E-01 9.9910E-02 8.2210E-02 6.8936E-02 5.0666E-02 4.4204E-02 3.8936E-02 3.1002E-02 2.7996E-02 2.6827E-02 1.8131E-02 1.6824E-02 1.4636E-02 1.2890E-02 1.1474E-02 9.3281E-03 7.7865E-03 7.5045E-03 6.6365E-03 5.0658E-03 4.0546E-03 2.6446E-03 1.9336E-03 1.5118E-03 1.2359E-03 1.0426E-03 8.9983E-04 7.9085E-04 7.0473E-04 6.3512E-04 5.7796E-04 5.2994E-04 4.8929E-04 4.5424E-04 3.9733E-04 3.5287E-04 3.1730E-04 2.8809E-04 2.6395E-04 2.4345E-04 2.2590E-04 1.6592E-04 1.3106E-04 1.0830E-04 8.0355E-05 6.3867E-05 4.2197E-05 3.1502E-05 2.0916E-05 1.5652E-05 1.2504E-05 1.0411E-05 7.7992E-06 6.2369E-06 4.1537E-06 3.1146E-06 2.0748E-06 1.5558E-06 1.2446E-06 1.0370E-06 7.7764E-07 6.2216E-07 4.1460E-07 3.1095E-07 2.0733E-07 1.5550E-07 1.2438E-07 1.0365E-07 7.7738E-08 6.2191E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 4.5957E-04 7.3299E-04 1.4357E-03 2.2765E-03 3.1733E-03 4.9536E-03 6.6509E-03 7.0193E-03 8.2825E-03 1.1206E-02 1.3769E-02 1.9244E-02 2.3814E-02 2.7716E-02 3.1197E-02 3.4322E-02 3.7192E-02 3.9860E-02 4.2324E-02 4.4611E-02 4.6745E-02 4.8752E-02 5.0632E-02 5.2410E-02 5.5585E-02 5.8431E-02 6.1022E-02 6.3385E-02 6.5544E-02 6.7526E-02 6.9355E-02 7.6798E-02 8.2311E-02 8.6605E-02 9.2905E-02 9.7351E-02 1.0436E-01 1.0853E-01 1.1338E-01 1.1618E-01 1.1800E-01 1.1933E-01 1.2105E-01 1.2217E-01 1.2377E-01 1.2469E-01 1.2558E-01 1.2619E-01 1.2649E-01 1.2672E-01 1.2702E-01 1.2723E-01 1.2746E-01 1.2761E-01 1.2773E-01 1.2784E-01 1.2789E-01 1.2791E-01 1.2794E-01 1.2796E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.1048E-08 2.6979E-06 9.4963E-06 3.8691E-05 7.6925E-05 1.1788E-04 1.5855E-04 1.9783E-04 2.3532E-04 2.7081E-04 3.0435E-04 3.3585E-04 3.6557E-04 3.9377E-04 4.2019E-04 4.4534E-04 4.9183E-04 5.3401E-04 5.7237E-04 6.0768E-04 6.3994E-04 6.6992E-04 6.9761E-04 8.1168E-04 8.9704E-04 9.6411E-04 1.0645E-03 1.1364E-03 1.2545E-03 1.3274E-03 1.4161E-03 1.4686E-03 1.5047E-03 1.5309E-03 1.5670E-03 1.5908E-03 1.6267E-03 1.6467E-03 1.6688E-03 1.6820E-03 1.6899E-03 1.6955E-03 1.7029E-03 1.7077E-03 1.7141E-03 1.7179E-03 1.7214E-03 1.7237E-03 1.7250E-03 1.7260E-03 1.7268E-03 1.7275E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Cl.mat0000644000276300001750000001666213136054446020330 0ustar solebliss00000000000000Chlorine 1 17 1.000000 2 6 92 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 2.8224E-03 2.8224E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 3.0338E+00 5.5812E+01 3.6499E+00 2.7960E+00 2.5310E+00 2.1165E+00 2.1165E+00 2.0384E+00 1.6616E+00 1.3922E+00 1.1964E+00 9.2746E-01 7.4146E-01 4.4861E-01 2.9556E-01 1.5831E-01 1.0005E-01 6.9118E-02 5.0518E-02 3.0219E-02 2.0044E-02 9.3442E-03 5.3779E-03 3.4846E-03 2.4375E-03 1.7991E-03 1.3817E-03 1.0940E-03 8.8754E-04 7.3436E-04 6.1763E-04 5.2665E-04 3.9602E-04 3.4822E-04 3.0858E-04 2.4713E-04 2.2303E-04 2.1352E-04 1.4286E-04 1.3210E-04 1.1391E-04 9.9235E-05 8.7222E-05 6.8925E-05 5.5834E-05 5.3456E-05 4.6145E-05 3.3039E-05 2.4817E-05 1.3965E-05 8.9382E-06 6.2068E-06 4.5608E-06 3.4907E-06 2.7586E-06 2.2337E-06 1.8464E-06 1.5517E-06 1.3222E-06 1.1401E-06 9.9319E-07 8.7293E-07 6.8965E-07 5.5868E-07 4.6169E-07 3.8797E-07 3.3056E-07 2.8503E-07 2.4834E-07 1.3966E-07 8.9382E-08 6.2068E-08 3.4907E-08 2.2337E-08 9.9302E-09 5.5851E-09 2.4834E-09 1.3965E-09 8.9382E-10 6.2068E-10 3.4907E-10 2.2337E-10 9.9302E-11 5.5851E-11 2.4834E-11 1.3965E-11 8.9382E-12 6.2068E-12 3.4907E-12 2.2337E-12 9.9302E-13 5.5851E-13 2.4834E-13 1.3965E-13 8.9382E-14 6.2068E-14 3.4907E-14 2.2337E-14 INCOHERENT SCATTERING CROSS SECTION 8.5560E-03 6.5596E-03 2.8536E-03 1.6912E-02 2.5853E-02 3.9731E-02 3.9731E-02 4.2483E-02 5.6208E-02 6.7096E-02 7.5810E-02 8.9348E-02 9.9999E-02 1.1907E-01 1.3051E-01 1.4106E-01 1.4464E-01 1.4539E-01 1.4466E-01 1.4114E-01 1.3662E-01 1.2534E-01 1.1578E-01 1.0790E-01 1.0134E-01 9.5801E-02 9.1047E-02 8.6912E-02 8.3267E-02 8.0021E-02 7.7101E-02 7.4456E-02 6.9831E-02 6.7793E-02 6.5906E-02 6.2515E-02 6.0981E-02 6.0336E-02 5.4543E-02 5.3455E-02 5.1433E-02 4.9583E-02 4.7881E-02 4.4868E-02 4.2313E-02 4.1804E-02 4.0098E-02 3.6336E-02 3.3293E-02 2.7773E-02 2.3985E-02 2.1199E-02 1.9059E-02 1.7343E-02 1.5943E-02 1.4771E-02 1.3778E-02 1.2922E-02 1.2172E-02 1.1517E-02 1.0934E-02 1.0413E-02 9.5158E-03 8.7752E-03 8.1501E-03 7.6167E-03 7.1530E-03 6.7470E-03 6.3886E-03 5.0772E-03 4.2381E-03 3.6521E-03 2.8792E-03 2.3900E-03 1.7020E-03 1.3345E-03 9.4580E-04 7.4078E-04 6.1321E-04 5.2505E-04 4.1005E-04 3.3735E-04 2.3560E-04 1.8226E-04 1.2679E-04 9.7859E-05 8.0006E-05 6.7844E-05 5.2284E-05 4.2687E-05 2.9488E-05 2.2677E-05 1.5639E-05 1.2006E-05 9.7774E-06 8.2656E-06 6.3376E-06 5.1554E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 2.8282E+03 1.2035E+06 1.7498E+04 9.7434E+02 4.4946E+02 1.7530E+02 1.6344E+03 1.4707E+03 7.0205E+02 3.8865E+02 2.3713E+02 1.0649E+02 5.6412E+01 1.7275E+01 7.3143E+00 2.1267E+00 8.7191E-01 4.3383E-01 2.4426E-01 9.8249E-02 4.8343E-02 1.3360E-02 5.4187E-03 2.7254E-03 1.5750E-03 1.0027E-03 6.8523E-04 4.9439E-04 3.7268E-04 2.9108E-04 2.3339E-04 1.9100E-04 1.3598E-04 1.1828E-04 1.0468E-04 8.3170E-05 7.3568E-05 6.9559E-05 4.7120E-05 4.4010E-05 3.8546E-05 3.4075E-05 3.0471E-05 2.5063E-05 2.1182E-05 2.0469E-05 1.8267E-05 1.4258E-05 1.1642E-05 7.9072E-06 5.9537E-06 4.7613E-06 3.9629E-06 3.3905E-06 2.9607E-06 2.6278E-06 2.3611E-06 2.1420E-06 1.9619E-06 1.8091E-06 1.6774E-06 1.5639E-06 1.3774E-06 1.2307E-06 1.1119E-06 1.0143E-06 9.3221E-07 8.6240E-07 8.0227E-07 5.9503E-07 4.7273E-07 3.9222E-07 2.9251E-07 2.3322E-07 1.5473E-07 1.1578E-07 7.6999E-08 5.7686E-08 4.6118E-08 3.8406E-08 2.8792E-08 2.3034E-08 1.5344E-08 1.1505E-08 7.6677E-09 5.7499E-09 4.5999E-09 3.8338E-09 2.8741E-09 2.3000E-09 1.5332E-09 1.1498E-09 7.6660E-10 5.7482E-10 4.5982E-10 3.8321E-10 2.8741E-10 2.3000E-10 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 4.2415E-05 6.8165E-05 1.3723E-04 2.2711E-04 3.3468E-04 5.9156E-04 8.8788E-04 9.5667E-04 1.2060E-03 1.8601E-03 2.5089E-03 4.0428E-03 5.4068E-03 6.6247E-03 7.7101E-03 8.6851E-03 9.5701E-03 1.0372E-02 1.1099E-02 1.1766E-02 1.2385E-02 1.2961E-02 1.3497E-02 1.4002E-02 1.4924E-02 1.5750E-02 1.6495E-02 1.7173E-02 1.7802E-02 1.8362E-02 1.8889E-02 2.1080E-02 2.2711E-02 2.3985E-02 2.5853E-02 2.7212E-02 2.9420E-02 3.0779E-02 3.2376E-02 3.3293E-02 3.3922E-02 3.4363E-02 3.4958E-02 3.5349E-02 3.5909E-02 3.6215E-02 3.6538E-02 3.6725E-02 3.6843E-02 3.6911E-02 3.7030E-02 3.7081E-02 3.7183E-02 3.7234E-02 3.7285E-02 3.7302E-02 3.7319E-02 3.7336E-02 3.7353E-02 3.7353E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 1.1140E-07 3.3059E-06 1.1651E-05 4.7579E-05 9.4784E-05 1.4556E-04 1.9619E-04 2.4545E-04 2.9251E-04 3.3735E-04 3.7999E-04 4.2007E-04 4.5812E-04 4.9430E-04 5.2862E-04 5.6123E-04 6.2204E-04 6.7759E-04 7.2855E-04 7.7560E-04 8.1925E-04 8.5985E-04 8.9773E-04 1.0564E-03 1.1787E-03 1.2769E-03 1.4272E-03 1.5388E-03 1.7275E-03 1.8498E-03 2.0044E-03 2.0978E-03 2.1624E-03 2.2116E-03 2.2779E-03 2.3220E-03 2.3900E-03 2.4274E-03 2.4698E-03 2.4953E-03 2.5106E-03 2.5208E-03 2.5344E-03 2.5429E-03 2.5565E-03 2.5632E-03 2.5700E-03 2.5734E-03 2.5768E-03 2.5785E-03 2.5802E-03 2.5819E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Ca.mat0000644000276300001750000001666213136054446020315 0ustar solebliss00000000000000Calcium 1 20 1.000000 2 8 90 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 3.0000E-03 4.0000E-03 4.0381E-03 4.0381E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 3.5822E+00 3.3979E+01 4.3461E+00 3.2591E+00 2.9631E+00 2.4628E+00 2.0511E+00 2.0360E+00 2.0360E+00 1.7205E+00 1.4647E+00 1.1163E+00 8.9540E-01 5.6708E-01 3.8226E-01 2.0586E-01 1.3022E-01 9.0397E-02 6.6475E-02 4.0120E-02 2.6731E-02 1.2523E-02 7.2275E-03 4.6925E-03 3.2877E-03 2.4298E-03 1.8677E-03 1.4796E-03 1.2007E-03 9.9379E-04 8.3605E-04 7.1307E-04 5.3630E-04 4.7152E-04 4.1775E-04 3.3461E-04 3.0217E-04 2.8940E-04 1.9354E-04 1.7894E-04 1.5433E-04 1.3447E-04 1.1820E-04 9.3395E-05 7.5671E-05 7.2456E-05 6.2561E-05 4.4794E-05 3.3643E-05 1.8933E-05 1.2114E-05 8.4131E-06 6.1802E-06 4.7317E-06 3.7385E-06 3.0293E-06 2.5033E-06 2.1036E-06 1.7926E-06 1.5447E-06 1.3460E-06 1.1832E-06 9.3477E-07 7.5716E-07 6.2583E-07 5.2576E-07 4.4808E-07 3.8632E-07 3.3658E-07 1.8933E-07 1.2115E-07 8.4131E-08 4.7317E-08 3.0293E-08 1.3460E-08 7.5716E-09 3.3643E-09 1.8933E-09 1.2114E-09 8.4131E-10 4.7317E-10 3.0277E-10 1.3460E-10 7.5716E-11 3.3643E-11 1.8933E-11 1.2114E-11 8.4131E-12 4.7317E-12 3.0277E-12 1.3460E-12 7.5716E-13 3.3643E-13 1.8933E-13 1.2114E-13 8.4131E-14 4.7317E-14 3.0277E-14 INCOHERENT SCATTERING CROSS SECTION 1.4942E-02 4.0537E-02 7.3302E-03 2.3561E-02 3.0999E-02 4.4808E-02 5.7159E-02 5.7595E-02 5.7595E-02 6.7948E-02 7.7219E-02 9.1734E-02 1.0239E-01 1.2063E-01 1.3224E-01 1.4389E-01 1.4805E-01 1.4909E-01 1.4859E-01 1.4541E-01 1.4106E-01 1.2984E-01 1.2012E-01 1.1204E-01 1.0529E-01 9.9565E-02 9.4649E-02 9.0370E-02 8.6595E-02 8.3225E-02 8.0194E-02 7.7448E-02 7.2642E-02 7.0517E-02 6.8547E-02 6.5020E-02 6.3440E-02 6.2779E-02 5.6753E-02 5.5615E-02 5.3505E-02 5.1584E-02 4.9825E-02 4.6707E-02 4.4026E-02 4.3485E-02 4.1689E-02 3.7787E-02 3.4650E-02 2.8910E-02 2.4958E-02 2.2073E-02 1.9834E-02 1.8046E-02 1.6589E-02 1.5372E-02 1.4339E-02 1.3447E-02 1.2668E-02 1.1985E-02 1.1378E-02 1.0835E-02 9.9037E-03 9.1328E-03 8.4822E-03 7.9262E-03 7.4424E-03 7.0217E-03 6.6490E-03 5.2832E-03 4.4101E-03 3.8001E-03 2.9962E-03 2.4868E-03 1.7716E-03 1.3887E-03 9.8436E-04 7.7084E-04 6.3816E-04 5.4635E-04 4.2674E-04 3.5101E-04 2.4522E-04 1.8978E-04 1.3194E-04 1.0185E-04 8.3274E-05 7.0607E-05 5.4409E-05 4.4417E-05 3.0698E-05 2.3606E-05 1.6273E-05 1.2496E-05 1.0176E-05 8.6009E-06 6.5949E-06 5.3658E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 4.8624E+03 1.8365E+06 2.9019E+04 1.7100E+03 7.9683E+02 2.6506E+02 1.1973E+02 1.1665E+02 1.0213E+03 6.0074E+02 3.7159E+02 1.7145E+02 9.2410E+01 2.9105E+01 1.2545E+01 3.7295E+00 1.5522E+00 7.8000E-01 4.4282E-01 1.8001E-01 8.9315E-02 2.5003E-02 1.0222E-02 5.1698E-03 2.9992E-03 1.9148E-03 1.3116E-03 9.4818E-04 7.1569E-04 5.5934E-04 4.4883E-04 3.6776E-04 2.6222E-04 2.2795E-04 2.0143E-04 1.5986E-04 1.4171E-04 1.3420E-04 9.0862E-05 8.4817E-05 7.4269E-05 6.5649E-05 5.8671E-05 4.8179E-05 4.0691E-05 3.9323E-05 3.5092E-05 2.7336E-05 2.2269E-05 1.5071E-05 1.1328E-05 9.0472E-06 7.5190E-06 6.4281E-06 5.6092E-06 4.9736E-06 4.4672E-06 4.0540E-06 3.7099E-06 3.4184E-06 3.1705E-06 2.9556E-06 2.6010E-06 2.3230E-06 2.0991E-06 1.9143E-06 1.7580E-06 1.6273E-06 1.5131E-06 1.1215E-06 8.9089E-07 7.3883E-07 5.5085E-07 4.3906E-07 2.9135E-07 2.1788E-07 1.4494E-07 1.0858E-07 8.6805E-08 7.2290E-08 5.4184E-08 4.3335E-08 2.8880E-08 2.1653E-08 1.4431E-08 1.0822E-08 8.6565E-09 7.2140E-09 5.4094E-09 4.3275E-09 2.8850E-09 2.1637E-09 1.4425E-09 1.0819E-09 8.6550E-10 7.2125E-10 5.4094E-10 4.3275E-10 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 5.3628E-05 8.5752E-05 1.7133E-04 2.8219E-04 4.1485E-04 7.3262E-04 1.1004E-03 1.1857E-03 1.4940E-03 2.2955E-03 3.0848E-03 4.9586E-03 6.6190E-03 8.1035E-03 9.4228E-03 1.0611E-02 1.1686E-02 1.2661E-02 1.3546E-02 1.4356E-02 1.5101E-02 1.5807E-02 1.6454E-02 1.7070E-02 1.8197E-02 1.9188E-02 2.0090E-02 2.0916E-02 2.1668E-02 2.2374E-02 2.3005E-02 2.5634E-02 2.7588E-02 2.9120E-02 3.1404E-02 3.3042E-02 3.5702E-02 3.7325E-02 3.9233E-02 4.0360E-02 4.1111E-02 4.1652E-02 4.2373E-02 4.2839E-02 4.3530E-02 4.3906E-02 4.4312E-02 4.4537E-02 4.4672E-02 4.4763E-02 4.4898E-02 4.4973E-02 4.5093E-02 4.5153E-02 4.5213E-02 4.5243E-02 4.5258E-02 4.5273E-02 4.5304E-02 4.5304E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 1.1597E-07 3.4411E-06 1.2126E-05 4.9511E-05 9.8631E-05 1.5146E-04 2.0420E-04 2.5529E-04 3.0428E-04 3.5086E-04 3.9518E-04 4.3681E-04 4.7633E-04 5.1389E-04 5.4950E-04 5.8346E-04 6.4642E-04 7.0397E-04 7.5686E-04 8.0555E-04 8.5077E-04 8.9270E-04 9.3192E-04 1.0957E-03 1.2218E-03 1.3229E-03 1.4777E-03 1.5928E-03 1.7866E-03 1.9113E-03 2.0691E-03 2.1653E-03 2.2329E-03 2.2825E-03 2.3531E-03 2.4012E-03 2.4733E-03 2.5154E-03 2.5619E-03 2.5890E-03 2.6055E-03 2.6175E-03 2.6341E-03 2.6446E-03 2.6581E-03 2.6671E-03 2.6746E-03 2.6791E-03 2.6821E-03 2.6837E-03 2.6867E-03 2.6882E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/At.mat0000644000276300001750000002206013136054446020323 0ustar solebliss00000000000000At 1 85 1.000000 11 4 4 3 3 3 3 6 3 3 8 79 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.0420E-03 1.0420E-03 1.5000E-03 2.0000E-03 2.7867E-03 2.7867E-03 2.8470E-03 2.9087E-03 2.9087E-03 3.0000E-03 3.4260E-03 3.4260E-03 4.0000E-03 4.0080E-03 4.0080E-03 4.1596E-03 4.3170E-03 4.3170E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.4213E-02 1.4213E-02 1.5000E-02 1.6785E-02 1.6785E-02 1.7135E-02 1.7493E-02 1.7493E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 9.5730E-02 9.5730E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.3244E+01 1.0357E+04 1.6686E+01 1.3201E+01 1.3201E+01 1.2682E+01 1.2048E+01 1.1047E+01 1.1047E+01 1.0972E+01 1.0895E+01 1.0895E+01 1.0780E+01 1.0281E+01 1.0281E+01 9.6417E+00 9.6331E+00 9.6331E+00 9.4744E+00 9.3148E+00 9.3148E+00 8.6466E+00 7.7805E+00 6.3666E+00 5.2969E+00 3.7598E+00 3.7598E+00 3.5447E+00 3.1202E+00 3.1202E+00 3.0422E+00 2.9654E+00 2.9654E+00 2.5194E+00 1.4821E+00 9.9343E-01 7.0980E-01 5.3170E-01 3.3382E-01 2.4867E-01 2.4867E-01 2.3115E-01 1.1443E-01 6.8341E-02 4.5609E-02 3.2665E-02 2.4558E-02 1.9134E-02 1.5325E-02 1.2547E-02 1.0460E-02 8.8531E-03 7.5897E-03 5.7578E-03 5.0818E-03 4.5187E-03 3.6398E-03 3.2923E-03 3.1546E-03 2.1262E-03 1.9686E-03 1.7014E-03 1.4850E-03 1.3074E-03 1.0360E-03 8.4086E-04 8.0530E-04 6.9589E-04 4.9935E-04 3.7569E-04 2.1182E-04 1.3571E-04 9.4295E-05 6.9288E-05 5.3055E-05 4.1928E-05 3.3984E-05 2.8079E-05 2.3597E-05 2.0107E-05 1.7336E-05 1.5102E-05 1.3275E-05 1.0488E-05 8.4975E-06 7.0205E-06 5.8992E-06 5.0274E-06 4.3362E-06 3.7770E-06 2.1242E-06 1.3597E-06 9.4410E-07 5.3113E-07 3.3984E-07 1.5108E-07 8.4975E-08 3.7770E-08 2.1242E-08 1.3597E-08 9.4410E-09 5.3113E-09 3.3984E-09 1.5108E-09 8.4975E-10 3.7770E-10 2.1242E-10 1.3597E-10 9.4410E-11 5.3113E-11 3.3984E-11 1.5108E-11 8.4975E-12 3.7770E-12 2.1242E-12 1.3597E-12 9.4410E-13 5.3113E-13 3.3984E-13 INCOHERENT SCATTERING CROSS SECTION 3.4357E-03 9.3535E+03 1.7978E-03 3.6795E-03 3.6795E-03 6.5387E-03 9.7765E-03 1.4718E-02 1.4718E-02 1.5082E-02 1.5452E-02 1.5452E-02 1.5994E-02 1.8426E-02 1.8426E-02 2.1520E-02 2.1561E-02 2.1561E-02 2.2323E-02 2.3112E-02 2.3112E-02 2.6404E-02 3.0887E-02 3.9089E-02 4.6373E-02 5.8476E-02 5.8476E-02 6.0368E-02 6.4240E-02 6.4240E-02 6.4915E-02 6.5588E-02 6.5588E-02 7.0148E-02 8.3397E-02 9.1456E-02 9.6188E-02 9.8884E-02 1.0092E-01 1.0086E-01 1.0086E-01 1.0069E-01 9.6676E-02 9.1485E-02 8.6508E-02 8.2049E-02 7.8120E-02 7.4650E-02 7.1566E-02 6.8800E-02 6.6297E-02 6.4011E-02 6.1910E-02 5.8210E-02 5.6583E-02 5.5083E-02 5.2351E-02 5.1077E-02 5.0532E-02 4.5771E-02 4.4877E-02 4.3204E-02 4.1670E-02 4.0259E-02 3.7759E-02 3.5619E-02 3.5189E-02 3.3753E-02 3.0605E-02 2.8062E-02 2.3422E-02 2.0233E-02 1.7887E-02 1.6077E-02 1.4635E-02 1.3453E-02 1.2467E-02 1.1626E-02 1.0904E-02 1.0273E-02 9.7192E-03 9.2288E-03 8.7871E-03 8.0329E-03 7.4077E-03 6.8800E-03 6.4297E-03 6.0368E-03 5.6956E-03 5.3916E-03 4.2846E-03 3.5762E-03 3.0829E-03 2.4308E-03 2.0175E-03 1.4368E-03 1.1265E-03 7.9841E-04 6.2519E-04 5.1765E-04 4.4308E-04 3.4615E-04 2.8478E-04 1.9889E-04 1.5392E-04 1.0703E-04 8.2623E-05 6.7538E-05 5.7271E-05 4.4136E-05 3.6020E-05 2.4899E-05 1.9143E-05 1.3201E-05 1.0135E-05 8.2537E-06 6.9775E-06 5.3486E-06 4.3534E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 5.8533E+03 4.1510E+05 2.1115E+04 5.4260E+03 5.5407E+03 2.7182E+03 1.4824E+03 7.1152E+02 2.4208E+03 2.0139E+03 1.6757E+03 2.7830E+03 2.2387E+03 1.6037E+03 1.8558E+03 1.2659E+03 1.2596E+03 1.3358E+03 1.2213E+03 1.1167E+03 1.1655E+03 8.1648E+02 5.2195E+02 2.5369E+02 1.4359E+02 5.7816E+01 1.4225E+02 1.2424E+02 9.0969E+01 1.2707E+02 1.2090E+02 1.1503E+02 1.3298E+02 9.4439E+01 3.2866E+01 1.5294E+01 8.3885E+00 5.1163E+00 2.3339E+00 1.4270E+00 6.5445E+00 5.8418E+00 2.0379E+00 9.5787E-01 5.3474E-01 3.3439E-01 2.2648E-01 1.6269E-01 1.2226E-01 9.5184E-02 7.6232E-02 6.2491E-02 5.2229E-02 3.8209E-02 3.3296E-02 2.9311E-02 2.3304E-02 2.1007E-02 2.0109E-02 1.3571E-02 1.2598E-02 1.0967E-02 9.6618E-03 8.6006E-03 6.9918E-03 5.8418E-03 5.6325E-03 4.9862E-03 3.8103E-03 3.0514E-03 1.9952E-03 1.4612E-03 1.1443E-03 9.3664E-04 7.9096E-04 6.8312E-04 6.0082E-04 5.3572E-04 4.8323E-04 4.3993E-04 4.0351E-04 3.7253E-04 3.4615E-04 3.0285E-04 2.6909E-04 2.4205E-04 2.1994E-04 2.0150E-04 1.8589E-04 1.7250E-04 1.2682E-04 1.0023E-04 8.2824E-05 6.1487E-05 4.8868E-05 3.2321E-05 2.4133E-05 1.6020E-05 1.1991E-05 9.5787E-06 7.9755E-06 5.9766E-06 4.7779E-06 3.1833E-06 2.3858E-06 1.5897E-06 1.1922E-06 9.5356E-07 7.9440E-07 5.9594E-07 4.7664E-07 3.1776E-07 2.3829E-07 1.5885E-07 1.1913E-07 9.5299E-08 7.9411E-08 5.9565E-08 4.7664E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 4.1068E-04 6.4886E-04 1.2549E-03 1.9788E-03 2.7596E-03 4.3514E-03 5.9135E-03 6.2548E-03 7.4358E-03 1.0234E-02 1.2745E-02 1.8165E-02 2.2699E-02 2.6608E-02 3.0055E-02 3.3152E-02 3.5963E-02 3.8573E-02 4.0982E-02 4.3247E-02 4.5341E-02 4.7291E-02 4.9126E-02 5.0847E-02 5.3944E-02 5.6698E-02 5.9221E-02 6.1487E-02 6.3580E-02 6.5502E-02 6.7280E-02 7.4478E-02 7.9841E-02 8.3971E-02 9.0079E-02 9.4353E-02 1.0115E-01 1.0516E-01 1.0987E-01 1.1253E-01 1.1428E-01 1.1555E-01 1.1721E-01 1.1830E-01 1.1985E-01 1.2071E-01 1.2163E-01 1.2211E-01 1.2243E-01 1.2266E-01 1.2295E-01 1.2312E-01 1.2338E-01 1.2349E-01 1.2363E-01 1.2372E-01 1.2375E-01 1.2378E-01 1.2383E-01 1.2386E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.3948E-08 2.7844E-06 9.8023E-06 3.9949E-05 7.9440E-05 1.2177E-04 1.6381E-04 2.0445E-04 2.4325E-04 2.8002E-04 3.1460E-04 3.4730E-04 3.7827E-04 4.0724E-04 4.3477E-04 4.6086E-04 5.0933E-04 5.5292E-04 5.9279E-04 6.2950E-04 6.6305E-04 6.9431E-04 7.2299E-04 8.4172E-04 9.3062E-04 1.0006E-03 1.1050E-03 1.1804E-03 1.3032E-03 1.3794E-03 1.4715E-03 1.5263E-03 1.5633E-03 1.5905E-03 1.6275E-03 1.6522E-03 1.6886E-03 1.7090E-03 1.7310E-03 1.7442E-03 1.7523E-03 1.7577E-03 1.7652E-03 1.7698E-03 1.7761E-03 1.7798E-03 1.7832E-03 1.7855E-03 1.7870E-03 1.7875E-03 1.7887E-03 1.7893E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Hg.mat0000644000276300001750000002205213136054446020316 0ustar solebliss00000000000000Hg 1 80 1.000000 10 6 3 3 3 3 7 3 3 9 79 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 2.2949E-03 2.2949E-03 2.3395E-03 2.3849E-03 2.3849E-03 2.6058E-03 2.8471E-03 2.8471E-03 3.0000E-03 3.2785E-03 3.2785E-03 3.4171E-03 3.5616E-03 3.5616E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.2284E-02 1.2284E-02 1.3211E-02 1.4209E-02 1.4209E-02 1.4521E-02 1.4839E-02 1.4839E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 8.3102E-02 8.3102E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.2342E+01 4.7727E+01 1.3465E+01 1.1874E+01 1.1324E+01 1.0976E+01 1.0976E+01 1.0924E+01 1.0871E+01 1.0871E+01 1.0619E+01 1.0343E+01 1.0343E+01 1.0165E+01 9.8503E+00 9.8503E+00 9.6952E+00 9.5350E+00 9.5350E+00 9.0637E+00 8.0880E+00 7.2413E+00 5.8933E+00 4.8816E+00 3.9989E+00 3.9989E+00 3.7051E+00 3.4225E+00 3.4225E+00 3.3406E+00 3.2604E+00 3.2604E+00 3.2214E+00 2.2715E+00 1.3396E+00 8.9256E-01 6.3347E-01 4.7405E-01 2.9800E-01 2.7990E-01 2.7990E-01 2.0562E-01 1.0117E-01 6.0314E-02 4.0211E-02 2.8758E-02 2.1583E-02 1.6788E-02 1.3428E-02 1.0982E-02 9.1475E-03 7.7367E-03 6.6289E-03 5.0237E-03 4.4313E-03 3.9377E-03 3.1692E-03 2.8668E-03 2.7473E-03 1.8500E-03 1.7124E-03 1.4796E-03 1.2910E-03 1.1359E-03 8.9916E-04 7.3014E-04 6.9952E-04 6.0495E-04 4.3389E-04 3.2604E-04 1.8371E-04 1.1766E-04 8.1750E-05 6.0074E-05 4.5994E-05 3.6357E-05 2.9452E-05 2.4342E-05 2.0454E-05 1.7428E-05 1.5029E-05 1.3093E-05 1.1507E-05 9.0907E-06 7.3644E-06 6.0855E-06 5.1158E-06 4.3592E-06 3.7588E-06 3.2724E-06 1.8413E-06 1.1784E-06 8.1840E-07 4.6024E-07 2.9461E-07 1.3093E-07 7.3644E-08 3.2724E-08 1.8413E-08 1.1784E-08 8.1840E-09 4.6024E-09 2.9461E-09 1.3093E-09 7.3644E-10 3.2724E-10 1.8413E-10 1.1784E-10 8.1840E-11 4.6024E-11 2.9461E-11 1.3093E-11 7.3644E-12 3.2724E-12 1.8413E-12 1.1784E-12 8.1840E-13 4.6024E-13 2.9461E-13 INCOHERENT SCATTERING CROSS SECTION 3.5636E-03 5.9681E-03 1.3841E-03 6.4638E-03 9.3219E-03 1.0982E-02 1.0982E-02 1.1230E-02 1.1480E-02 1.1480E-02 1.2680E-02 1.3975E-02 1.3975E-02 1.4798E-02 1.6272E-02 1.6272E-02 1.6999E-02 1.7752E-02 1.7752E-02 2.0007E-02 2.4966E-02 2.9713E-02 3.8458E-02 4.5904E-02 5.3019E-02 5.3019E-02 5.5468E-02 5.7973E-02 5.7973E-02 5.8747E-02 5.9504E-02 5.9504E-02 5.9864E-02 6.9891E-02 8.3491E-02 9.1447E-02 9.6011E-02 9.8563E-02 1.0036E-01 1.0042E-01 1.0042E-01 1.0003E-01 9.5801E-02 9.0517E-02 8.5534E-02 8.1090E-02 7.7169E-02 7.3704E-02 7.0627E-02 6.7880E-02 6.5411E-02 6.3167E-02 6.1105E-02 5.7444E-02 5.5811E-02 5.4292E-02 5.1567E-02 5.0347E-02 4.9837E-02 4.5123E-02 4.4232E-02 4.2580E-02 4.1070E-02 3.9676E-02 3.7201E-02 3.5096E-02 3.4676E-02 3.3269E-02 3.0164E-02 2.7650E-02 2.3078E-02 1.9938E-02 1.7623E-02 1.5843E-02 1.4420E-02 1.3255E-02 1.2282E-02 1.1456E-02 1.0745E-02 1.0123E-02 9.5771E-03 9.0907E-03 8.6584E-03 7.9138E-03 7.2984E-03 6.7790E-03 6.3347E-03 5.9474E-03 5.6111E-03 5.3139E-03 4.2211E-03 3.5246E-03 3.0382E-03 2.3949E-03 1.9878E-03 1.4155E-03 1.1099E-03 7.8658E-04 6.1605E-04 5.1008E-04 4.3682E-04 3.4105E-04 2.8059E-04 1.9595E-04 1.5167E-04 1.0544E-04 8.1390E-05 6.6559E-05 5.6442E-05 4.3472E-05 3.5486E-05 2.4534E-05 1.8860E-05 1.3009E-05 9.9854E-06 8.1330E-06 6.8751E-06 5.2719E-06 4.2872E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 4.8186E+03 4.5664E+05 1.8964E+04 2.1619E+03 1.1724E+03 8.6644E+02 9.7812E+02 1.4392E+03 2.1169E+03 2.2835E+03 2.1730E+03 2.0679E+03 2.3883E+03 2.1073E+03 1.6941E+03 1.7980E+03 1.6296E+03 1.4771E+03 1.5398E+03 1.1697E+03 6.7880E+02 4.3142E+02 2.0811E+02 1.1718E+02 6.8601E+01 1.7392E+02 1.4290E+02 1.1742E+02 1.6284E+02 1.5457E+02 1.4675E+02 1.6981E+02 1.6479E+02 7.8898E+01 2.6987E+01 1.2435E+01 6.7730E+00 4.1100E+00 1.8605E+00 1.6746E+00 8.0850E+00 4.9717E+00 1.7119E+00 7.9469E-01 4.4010E-01 2.7359E-01 1.8435E-01 1.3186E-01 9.8736E-02 7.6646E-02 6.1245E-02 5.0107E-02 4.1805E-02 3.0496E-02 2.6546E-02 2.3349E-02 1.8547E-02 1.6716E-02 1.6002E-02 1.0793E-02 1.0020E-02 8.7254E-03 7.6887E-03 6.8435E-03 5.5618E-03 4.6504E-03 4.4853E-03 3.9741E-03 3.0384E-03 2.4336E-03 1.5945E-03 1.1691E-03 9.1658E-04 7.5085E-04 6.3437E-04 5.4850E-04 4.8246E-04 4.3052E-04 3.8819E-04 3.5366E-04 3.2454E-04 2.9968E-04 2.7840E-04 2.4369E-04 2.1661E-04 1.9490E-04 1.7710E-04 1.6230E-04 1.4975E-04 1.3900E-04 1.0223E-04 8.0820E-05 6.6799E-05 4.9597E-05 3.9449E-05 2.6077E-05 1.9478E-05 1.2931E-05 9.6791E-06 7.7337E-06 6.4397E-06 4.8246E-06 3.8578E-06 2.5693E-06 1.9262E-06 1.2834E-06 9.6251E-07 7.6977E-07 6.4157E-07 4.8095E-07 3.8488E-07 2.5654E-07 1.9238E-07 1.2825E-07 9.6191E-08 7.6947E-08 6.4127E-08 4.8095E-08 3.8488E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 3.6567E-04 5.7480E-04 1.1042E-03 1.7368E-03 2.4241E-03 3.8489E-03 5.2719E-03 5.5841E-03 6.6704E-03 9.2803E-03 1.1655E-02 1.6824E-02 2.1154E-02 2.4882E-02 2.8167E-02 3.1133E-02 3.3805E-02 3.6297E-02 3.8578E-02 4.0710E-02 4.2691E-02 4.4553E-02 4.6294E-02 4.7915E-02 5.0857E-02 5.3469E-02 5.5811E-02 5.7973E-02 5.9954E-02 6.1755E-02 6.3437E-02 7.0222E-02 7.5265E-02 7.9198E-02 8.4963E-02 8.9016E-02 9.5410E-02 9.9193E-02 1.0361E-01 1.0613E-01 1.0778E-01 1.0895E-01 1.1051E-01 1.1153E-01 1.1300E-01 1.1378E-01 1.1465E-01 1.1510E-01 1.1541E-01 1.1562E-01 1.1586E-01 1.1604E-01 1.1628E-01 1.1640E-01 1.1652E-01 1.1658E-01 1.1664E-01 1.1667E-01 1.1670E-01 1.1673E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.2538E-08 2.7435E-06 9.6611E-06 3.9389E-05 7.8328E-05 1.2006E-04 1.6155E-04 2.0166E-04 2.3994E-04 2.7626E-04 3.1043E-04 3.4285E-04 3.7317E-04 4.0200E-04 4.2932E-04 4.5514E-04 5.0287E-04 5.4610E-04 5.8573E-04 6.2176E-04 6.5508E-04 6.8601E-04 7.1453E-04 8.3221E-04 9.2048E-04 9.8983E-04 1.0937E-03 1.1682E-03 1.2901E-03 1.3654E-03 1.4564E-03 1.5104E-03 1.5470E-03 1.5735E-03 1.6101E-03 1.6341E-03 1.6698E-03 1.6899E-03 1.7119E-03 1.7248E-03 1.7326E-03 1.7380E-03 1.7455E-03 1.7500E-03 1.7560E-03 1.7599E-03 1.7632E-03 1.7656E-03 1.7668E-03 1.7677E-03 1.7686E-03 1.7692E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Yb.mat0000644000276300001750000002174213136054446020337 0ustar solebliss00000000000000Yb 1 70 1.000000 10 5 3 3 3 3 7 3 3 8 80 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 1.5278E-03 1.5278E-03 1.5519E-03 1.5763E-03 1.5763E-03 1.7531E-03 1.9498E-03 1.9498E-03 2.0000E-03 2.1730E-03 2.1730E-03 2.2828E-03 2.3981E-03 2.3981E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 8.9436E-03 8.9436E-03 9.4467E-03 9.9782E-03 9.9782E-03 1.0000E-02 1.0486E-02 1.0486E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 6.1332E-02 6.1332E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.0848E+01 2.5463E+01 1.1806E+01 1.0392E+01 1.0368E+01 1.0368E+01 1.0344E+01 1.0319E+01 1.0319E+01 1.0146E+01 9.9603E+00 9.9603E+00 9.9116E+00 9.7341E+00 9.7341E+00 9.6224E+00 9.5079E+00 9.5079E+00 8.9267E+00 7.9627E+00 7.0857E+00 6.3096E+00 5.0602E+00 4.5869E+00 4.5869E+00 4.3428E+00 4.1345E+00 4.1345E+00 4.1275E+00 3.9396E+00 3.9396E+00 2.6589E+00 1.8814E+00 1.1112E+00 7.2806E-01 5.1472E-01 3.8595E-01 3.7273E-01 3.7273E-01 2.4222E-01 1.6576E-01 8.0915E-02 4.8166E-02 3.2011E-02 2.2809E-02 1.7061E-02 1.3235E-02 1.0564E-02 8.6274E-03 7.1786E-03 6.0660E-03 5.1927E-03 3.9283E-03 3.4625E-03 3.0748E-03 2.4719E-03 2.2350E-03 2.1414E-03 1.4394E-03 1.3320E-03 1.1503E-03 1.0033E-03 8.8278E-04 6.9863E-04 5.6658E-04 5.4256E-04 4.6869E-04 3.3604E-04 2.5263E-04 1.4227E-04 9.1112E-05 6.3270E-05 4.6495E-05 3.5602E-05 2.8134E-05 2.2792E-05 1.8835E-05 1.5828E-05 1.3486E-05 1.1631E-05 1.0131E-05 8.9058E-06 7.0370E-06 5.7006E-06 4.7087E-06 3.9570E-06 3.3723E-06 2.9077E-06 2.5329E-06 1.4248E-06 9.1181E-07 6.3340E-07 3.5637E-07 2.2795E-07 1.0131E-07 5.7006E-08 2.5329E-08 1.4248E-08 9.1181E-09 6.3305E-09 3.5602E-09 2.2795E-09 1.0131E-09 5.7006E-10 2.5329E-10 1.4248E-10 9.1181E-11 6.3305E-11 3.5602E-11 2.2795E-11 1.0131E-11 5.7006E-12 2.5329E-12 1.4248E-12 9.1181E-13 6.3305E-13 3.5602E-13 2.2795E-13 INCOHERENT SCATTERING CROSS SECTION 4.7540E-03 2.3793E-03 2.0793E-03 7.8966E-03 8.0706E-03 8.0706E-03 8.2209E-03 8.3734E-03 8.3734E-03 9.4690E-03 1.0688E-02 1.0688E-02 1.1001E-02 1.2076E-02 1.2076E-02 1.2758E-02 1.3475E-02 1.3475E-02 1.7192E-02 2.3042E-02 2.8451E-02 3.3386E-02 4.1971E-02 4.5521E-02 4.5521E-02 4.7077E-02 4.9140E-02 4.9140E-02 4.9245E-02 5.0846E-02 5.0846E-02 6.3722E-02 7.4581E-02 8.8641E-02 9.6227E-02 1.0040E-01 1.0263E-01 1.0284E-01 1.0284E-01 1.0402E-01 1.0333E-01 9.8350E-02 9.2643E-02 8.7371E-02 8.2724E-02 7.8667E-02 7.5103E-02 7.1945E-02 6.9117E-02 6.6562E-02 6.4244E-02 6.2131E-02 5.8396E-02 5.6727E-02 5.5170E-02 5.2374E-02 5.1124E-02 5.0602E-02 4.5799E-02 4.4891E-02 4.3213E-02 4.1693E-02 4.0306E-02 3.7830E-02 3.5637E-02 3.5185E-02 3.3701E-02 3.0562E-02 2.8057E-02 2.3415E-02 2.0223E-02 1.7878E-02 1.6072E-02 1.4627E-02 1.3447E-02 1.2459E-02 1.1620E-02 1.0900E-02 1.0267E-02 9.7132E-03 9.2225E-03 8.7840E-03 8.0288E-03 7.4024E-03 6.8769E-03 6.4244E-03 6.0347E-03 5.6901E-03 5.3908E-03 4.2841E-03 3.5742E-03 3.0800E-03 2.4292E-03 2.0161E-03 1.4359E-03 1.1258E-03 7.9801E-04 6.2504E-04 5.1716E-04 4.4303E-04 3.4593E-04 2.8461E-04 1.9875E-04 1.5382E-04 1.0695E-04 8.2550E-05 6.7516E-05 5.7249E-05 4.4094E-05 3.6020E-05 2.4883E-05 1.9131E-05 1.3193E-05 1.0131E-05 8.2481E-06 6.9708E-06 5.3456E-06 4.3502E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 3.0065E+03 2.9569E+05 1.1965E+04 1.3399E+03 1.2898E+03 1.9374E+03 2.7470E+03 3.8943E+03 4.5277E+03 3.9723E+03 3.4872E+03 4.0440E+03 3.7865E+03 3.1186E+03 3.3138E+03 2.9597E+03 2.6436E+03 2.7598E+03 1.6315E+03 8.1123E+02 4.6461E+02 2.9244E+02 1.3931E+02 1.0416E+02 2.7779E+02 2.4073E+02 2.0867E+02 2.9380E+02 2.9018E+02 2.5367E+02 2.9328E+02 1.1655E+02 5.4326E+01 1.8125E+01 8.2168E+00 4.4233E+00 2.6585E+00 2.4998E+00 1.3176E+01 6.5637E+00 3.6124E+00 1.1986E+00 5.4535E-01 2.9744E-01 1.8264E-01 1.2190E-01 8.6518E-02 6.4369E-02 4.9697E-02 3.9530E-02 3.2220E-02 2.6799E-02 1.9461E-02 1.6914E-02 1.4859E-02 1.1784E-02 1.0615E-02 1.0159E-02 6.8490E-03 6.3597E-03 5.5413E-03 4.8862E-03 4.3521E-03 3.5406E-03 2.9606E-03 2.8552E-03 2.5297E-03 1.9377E-03 1.5556E-03 1.0228E-03 7.5207E-04 5.9094E-04 4.8479E-04 4.1032E-04 3.5498E-04 3.1273E-04 2.7922E-04 2.5207E-04 2.2966E-04 2.1087E-04 1.9489E-04 1.8111E-04 1.5866E-04 1.4112E-04 1.2703E-04 1.1551E-04 1.0587E-04 9.7724E-05 9.0729E-05 6.6785E-05 5.2829E-05 4.3711E-05 3.2463E-05 2.5823E-05 1.7081E-05 1.2762E-05 8.4743E-06 6.3444E-06 5.0707E-06 4.2215E-06 3.1625E-06 2.5287E-06 1.6844E-06 1.2626E-06 8.4151E-07 6.3096E-07 5.0463E-07 4.2076E-07 3.1541E-07 2.5231E-07 1.6820E-07 1.2616E-07 8.4082E-08 6.3061E-08 5.0463E-08 4.2041E-08 3.1534E-08 2.5228E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 2.9460E-04 4.5933E-04 8.7348E-04 1.3702E-03 1.9190E-03 3.0953E-03 4.3085E-03 4.5765E-03 5.5189E-03 7.8462E-03 1.0019E-02 1.4819E-02 1.8873E-02 2.2360E-02 2.5433E-02 2.8197E-02 3.0709E-02 3.3017E-02 3.5150E-02 3.7134E-02 3.8978E-02 4.0718E-02 4.2319E-02 4.3816E-02 4.6495E-02 4.8897E-02 5.1089E-02 5.3038E-02 5.4883E-02 5.6518E-02 5.8050E-02 6.4314E-02 6.8943E-02 7.2562E-02 7.7852E-02 8.1611E-02 8.7527E-02 9.1042E-02 9.5114E-02 9.7446E-02 9.8977E-02 1.0009E-01 1.0152E-01 1.0246E-01 1.0381E-01 1.0458E-01 1.0538E-01 1.0580E-01 1.0608E-01 1.0625E-01 1.0649E-01 1.0667E-01 1.0688E-01 1.0698E-01 1.0712E-01 1.0716E-01 1.0722E-01 1.0722E-01 1.0726E-01 1.0729E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.3928E-08 2.7848E-06 9.8072E-06 3.9987E-05 7.9523E-05 1.2195E-04 1.6416E-04 2.0495E-04 2.4393E-04 2.8092E-04 3.1586E-04 3.4872E-04 3.7969E-04 4.0927E-04 4.3711E-04 4.6321E-04 5.1229E-04 5.5648E-04 5.9685E-04 6.3409E-04 6.6820E-04 6.9987E-04 7.2945E-04 8.5056E-04 9.4174E-04 1.0134E-03 1.1210E-03 1.1986E-03 1.3256E-03 1.4046E-03 1.5003E-03 1.5574E-03 1.5960E-03 1.6246E-03 1.6635E-03 1.6896E-03 1.7279E-03 1.7498E-03 1.7739E-03 1.7878E-03 1.7965E-03 1.8024E-03 1.8104E-03 1.8156E-03 1.8226E-03 1.8264E-03 1.8302E-03 1.8327E-03 1.8344E-03 1.8351E-03 1.8362E-03 1.8368E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Bk.mat0000644000276300001750000002277213136054446020325 0ustar solebliss00000000000000Bk 1 97 1.000000 13 4 3 3 5 3 3 4 3 5 3 3 8 78 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.2350E-03 1.2350E-03 1.5000E-03 1.5540E-03 1.5540E-03 1.6514E-03 1.7550E-03 1.7550E-03 2.0000E-03 3.0000E-03 4.0000E-03 4.1320E-03 4.1320E-03 4.2474E-03 4.3660E-03 4.3660E-03 4.6615E-03 4.9770E-03 4.9770E-03 5.0000E-03 6.0000E-03 6.1470E-03 6.1470E-03 6.3482E-03 6.5560E-03 6.5560E-03 8.0000E-03 1.0000E-02 1.5000E-02 1.9452E-02 1.9452E-02 2.0000E-02 2.4385E-02 2.4385E-02 2.4826E-02 2.5275E-02 2.5275E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.3159E-01 1.3159E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.4615E+01 5.1414E+01 1.5995E+01 1.4332E+01 1.4332E+01 1.4005E+01 1.3932E+01 1.3932E+01 1.3808E+01 1.3676E+01 1.3676E+01 1.3340E+01 1.1999E+01 1.0739E+01 1.0583E+01 1.0583E+01 1.0449E+01 1.0313E+01 1.0313E+01 9.9827E+00 9.6424E+00 9.6424E+00 9.6181E+00 8.6504E+00 8.5188E+00 8.5188E+00 8.3452E+00 8.1727E+00 8.1727E+00 7.1051E+00 5.9473E+00 4.0607E+00 3.0468E+00 3.0468E+00 2.9468E+00 2.3046E+00 2.3046E+00 2.2457E+00 2.1881E+00 2.1881E+00 1.7430E+00 1.1692E+00 8.4822E-01 6.4080E-01 4.0291E-01 2.7957E-01 1.7644E-01 1.7644E-01 1.4076E-01 8.4481E-02 5.6540E-02 4.0632E-02 3.0669E-02 2.3989E-02 1.9279E-02 1.5831E-02 1.3231E-02 1.1222E-02 9.6366E-03 7.3308E-03 6.4787E-03 5.7683E-03 4.6563E-03 4.2143E-03 4.0388E-03 2.7323E-03 2.5314E-03 2.1899E-03 1.9129E-03 1.6856E-03 1.3377E-03 1.0868E-03 1.0410E-03 9.0008E-04 6.4691E-04 4.8724E-04 2.7494E-04 1.7637E-04 1.2260E-04 9.0136E-05 6.9052E-05 5.4574E-05 4.4215E-05 3.6537E-05 3.0711E-05 2.6178E-05 2.2568E-05 1.9660E-05 1.7281E-05 1.3654E-05 1.1061E-05 9.1428E-06 7.6827E-06 6.5469E-06 5.6451E-06 4.9163E-06 2.7665E-06 1.7701E-06 1.2292E-06 6.9150E-07 4.4264E-07 1.9668E-07 1.1063E-07 4.9163E-08 2.7665E-08 1.7701E-08 1.2292E-08 6.9150E-09 4.4264E-09 1.9668E-09 1.1063E-09 4.9163E-10 2.7665E-10 1.7701E-10 1.2292E-10 6.9150E-11 4.4264E-11 1.9668E-11 1.1063E-11 4.9163E-12 2.7665E-12 1.7701E-12 1.2292E-12 6.9150E-13 4.4264E-13 INCOHERENT SCATTERING CROSS SECTION 4.2192E-03 6.7179E-01 2.0805E-03 5.5646E-03 5.5646E-03 7.0393E-03 7.3464E-03 7.3464E-03 7.8966E-03 8.4773E-03 8.4773E-03 9.8545E-03 1.5314E-02 2.0365E-02 2.0998E-02 2.0998E-02 2.1551E-02 2.2103E-02 2.2103E-02 2.3378E-02 2.4862E-02 2.4862E-02 2.4984E-02 2.9152E-02 2.9761E-02 2.9761E-02 3.0558E-02 3.1345E-02 3.1345E-02 3.6610E-02 4.3167E-02 5.6572E-02 6.5250E-02 6.5250E-02 6.6176E-02 7.2464E-02 7.2464E-02 7.2966E-02 7.3464E-02 7.3464E-02 7.8485E-02 8.5968E-02 9.0672E-02 9.3499E-02 9.5815E-02 9.5888E-02 9.4036E-02 9.4036E-02 9.2500E-02 8.7820E-02 8.3238E-02 7.9070E-02 7.5351E-02 7.2050E-02 6.9111E-02 6.6468E-02 6.4071E-02 6.1886E-02 5.9885E-02 5.6345E-02 5.4769E-02 5.3302E-02 5.0644E-02 4.9431E-02 4.8919E-02 4.4337E-02 4.3469E-02 4.1848E-02 4.0364E-02 3.8998E-02 3.6580E-02 3.4514E-02 3.4099E-02 3.2714E-02 2.9667E-02 2.7202E-02 2.2709E-02 1.9621E-02 1.7347E-02 1.5592E-02 1.4193E-02 1.3048E-02 1.2090E-02 1.1275E-02 1.0576E-02 9.9642E-03 9.4255E-03 8.9502E-03 8.5237E-03 7.7900E-03 7.1831E-03 6.6737E-03 6.2349E-03 5.8547E-03 5.5232E-03 5.2307E-03 4.1558E-03 3.4684E-03 2.9883E-03 2.3575E-03 1.9568E-03 1.3935E-03 1.0927E-03 7.7437E-04 6.0643E-04 5.0211E-04 4.2996E-04 3.3563E-04 2.7616E-04 1.9290E-04 1.4929E-04 1.0381E-04 8.0118E-05 6.5518E-05 5.5549E-05 4.2801E-05 3.4953E-05 2.4150E-05 1.8566E-05 1.2804E-05 9.8301E-06 8.0045E-06 6.7663E-06 5.1893E-06 4.2216E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 7.8266E+03 4.5419E+05 2.6576E+04 5.3940E+03 5.7377E+03 3.9389E+03 3.6659E+03 3.7122E+03 3.2761E+03 2.8908E+03 2.9444E+03 2.2361E+03 9.1696E+02 4.7359E+02 4.3898E+02 9.8228E+02 9.3307E+02 8.8649E+02 1.2331E+03 1.0568E+03 9.0599E+02 1.0625E+03 1.0459E+03 6.5981E+02 6.1910E+02 6.5664E+02 6.0599E+02 5.5939E+02 5.8303E+02 3.5708E+02 2.0435E+02 7.3001E+01 3.7390E+01 8.7747E+01 8.0898E+01 4.7578E+01 6.8321E+01 6.5128E+01 6.2081E+01 7.1563E+01 4.6433E+01 2.2224E+01 1.2426E+01 7.6901E+00 3.5830E+00 1.9743E+00 9.4742E-01 3.7877E+00 2.7372E+00 1.3233E+00 7.5461E-01 4.8017E-01 3.2977E-01 2.3962E-01 1.8182E-01 1.4271E-01 1.1509E-01 9.4889E-02 7.9691E-02 5.8713E-02 5.1283E-02 4.5224E-02 3.6062E-02 3.2564E-02 3.1199E-02 2.1110E-02 1.9591E-02 1.7041E-02 1.5002E-02 1.3349E-02 1.0848E-02 9.0574E-03 8.7308E-03 7.7230E-03 5.8915E-03 4.7115E-03 3.0711E-03 2.2419E-03 1.7518E-03 1.4313E-03 1.2065E-03 1.0413E-03 9.1452E-04 8.1483E-04 7.3415E-04 6.6785E-04 6.1228E-04 5.6524E-04 5.2478E-04 4.5872E-04 4.0729E-04 3.6634E-04 3.3246E-04 3.0468E-04 2.8079E-04 2.6056E-04 1.9134E-04 1.5110E-04 1.2482E-04 9.2598E-05 7.3586E-05 4.8626E-05 3.6293E-05 2.4094E-05 1.8030E-05 1.4405E-05 1.1992E-05 8.9843E-06 7.1831E-06 4.7847E-06 3.5854E-06 2.3899E-06 1.7920E-06 1.4334E-06 1.1943E-06 8.9575E-07 7.1660E-07 4.7773E-07 3.5830E-07 2.3879E-07 1.7910E-07 1.4327E-07 1.1938E-07 8.9551E-08 7.1636E-08 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 4.8821E-04 7.8296E-04 1.5453E-03 2.4594E-03 3.4298E-03 5.3313E-03 7.1148E-03 7.4999E-03 8.8163E-03 1.1840E-02 1.4466E-02 2.0021E-02 2.4642E-02 2.8542E-02 3.2076E-02 3.5269E-02 3.8219E-02 4.0924E-02 4.3435E-02 4.5799E-02 4.7993E-02 5.0040E-02 5.1966E-02 5.3794E-02 5.7060E-02 5.9985E-02 6.2666E-02 6.5103E-02 6.7346E-02 6.9393E-02 7.1270E-02 7.8948E-02 8.4676E-02 8.9112E-02 9.5644E-02 1.0025E-01 1.0749E-01 1.1178E-01 1.1680E-01 1.1965E-01 1.2155E-01 1.2289E-01 1.2467E-01 1.2584E-01 1.2748E-01 1.2840E-01 1.2935E-01 1.2996E-01 1.3028E-01 1.3052E-01 1.3084E-01 1.3104E-01 1.3125E-01 1.3143E-01 1.3155E-01 1.3167E-01 1.3172E-01 1.3174E-01 1.3177E-01 1.3179E-01 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.1094E-08 2.6992E-06 9.5011E-06 3.8706E-05 7.6925E-05 1.1787E-04 1.5855E-04 1.9782E-04 2.3528E-04 2.7080E-04 3.0419E-04 3.3563E-04 3.6537E-04 3.9340E-04 4.1997E-04 4.4507E-04 4.9138E-04 5.3355E-04 5.7182E-04 6.0692E-04 6.3909E-04 6.6907E-04 6.9661E-04 8.1020E-04 8.9526E-04 9.6205E-04 1.0615E-03 1.1332E-03 1.2502E-03 1.3223E-03 1.4098E-03 1.4617E-03 1.4971E-03 1.5229E-03 1.5582E-03 1.5819E-03 1.6167E-03 1.6365E-03 1.6579E-03 1.6709E-03 1.6787E-03 1.6840E-03 1.6913E-03 1.6960E-03 1.7020E-03 1.7057E-03 1.7091E-03 1.7116E-03 1.7128E-03 1.7135E-03 1.7145E-03 1.7152E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/He.mat0000644000276300001750000001642013136054446020316 0ustar solebliss00000000000000Hellium 1 2 1.000000 1 96 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 2.5000E-01 3.0000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 3.7870E-01 5.1885E+00 4.4168E-01 3.5462E-01 3.2544E-01 2.6270E-01 2.0643E-01 1.6159E-01 1.2799E-01 8.4255E-02 5.9054E-02 2.9549E-02 1.7558E-02 8.1773E-03 4.6852E-03 3.0257E-03 2.1109E-03 1.1939E-03 7.6582E-04 3.4123E-04 1.9213E-04 1.2301E-04 1.2301E-04 8.5429E-05 4.8055E-05 3.7979E-05 3.0768E-05 2.5428E-05 2.1365E-05 1.8204E-05 1.3674E-05 1.2018E-05 1.0646E-05 8.5228E-06 7.6913E-06 7.3633E-06 4.9229E-06 4.5517E-06 3.9248E-06 3.4184E-06 3.0034E-06 2.3720E-06 1.9228E-06 1.8416E-06 1.5910E-06 1.1388E-06 8.5459E-07 4.8071E-07 3.0768E-07 2.1365E-07 1.5693E-07 1.2018E-07 9.4968E-08 7.6913E-08 6.3567E-08 5.3412E-08 4.5513E-08 3.9239E-08 3.4184E-08 3.0046E-08 2.3742E-08 1.9228E-08 1.5888E-08 1.3354E-08 1.1377E-08 9.8112E-09 8.5459E-09 4.8071E-09 3.0768E-09 2.1365E-09 1.2015E-09 7.6883E-10 3.4168E-10 1.9228E-10 8.5429E-11 4.8056E-11 3.0753E-11 2.1365E-11 1.2014E-11 7.6883E-12 3.4168E-12 1.9228E-12 8.5429E-13 4.8055E-13 3.0753E-13 2.1365E-13 1.2014E-13 7.6883E-14 3.4168E-14 1.9228E-14 8.5429E-15 4.8056E-15 3.0753E-15 2.1365E-15 1.2014E-15 7.6883E-16 INCOHERENT SCATTERING CROSS SECTION 1.0169E-02 1.1399E-03 2.9712E-03 2.1350E-02 3.4861E-02 6.3643E-02 8.9491E-02 1.1025E-01 1.2616E-01 1.4722E-01 1.5933E-01 1.7227E-01 1.7573E-01 1.7498E-01 1.7137E-01 1.6716E-01 1.6294E-01 1.5497E-01 1.4782E-01 1.3330E-01 1.2223E-01 1.1348E-01 1.1348E-01 1.0634E-01 9.5299E-02 9.0901E-02 8.7039E-02 8.3605E-02 8.0524E-02 7.7738E-02 7.2880E-02 7.0744E-02 6.8770E-02 6.5220E-02 6.3613E-02 6.2936E-02 5.6872E-02 5.5734E-02 5.3622E-02 5.1697E-02 4.9931E-02 4.6801E-02 4.4114E-02 4.3572E-02 4.1773E-02 3.7861E-02 3.4710E-02 2.8948E-02 2.5006E-02 2.2102E-02 1.9860E-02 1.8070E-02 1.6610E-02 1.5392E-02 1.4358E-02 1.3466E-02 1.2685E-02 1.2000E-02 1.1392E-02 1.0849E-02 9.9165E-03 9.1447E-03 8.4932E-03 7.9365E-03 7.4536E-03 7.0308E-03 6.6577E-03 5.2900E-03 4.4159E-03 3.8050E-03 3.0001E-03 2.4900E-03 1.7739E-03 1.3905E-03 9.8563E-04 7.7184E-04 6.3898E-04 5.4706E-04 4.2729E-04 3.5146E-04 2.4554E-04 1.9003E-04 1.3212E-04 1.0198E-04 8.3382E-05 7.0699E-05 5.4480E-05 4.4475E-05 3.0738E-05 2.3637E-05 1.6294E-05 1.2512E-05 1.0189E-05 8.6121E-06 6.6035E-06 5.3728E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 6.0438E+01 4.8984E+04 5.5544E+02 1.6385E+01 6.5042E+00 1.6806E+00 6.3703E-01 3.0482E-01 1.6535E-01 6.1837E-02 2.9203E-02 7.3347E-03 2.7518E-03 6.8728E-04 2.5653E-04 1.1954E-04 6.4079E-05 2.4013E-05 1.1260E-05 2.8827E-06 1.1176E-06 5.4521E-07 5.4521E-07 3.0828E-07 1.3032E-07 9.3079E-08 6.9736E-08 5.4308E-08 4.3271E-08 3.4986E-08 2.4689E-08 2.1801E-08 1.9831E-08 1.6007E-08 1.3583E-08 1.2479E-08 8.5188E-09 8.0417E-09 7.0709E-09 6.2289E-09 5.5720E-09 4.6290E-09 3.9600E-09 3.8351E-09 3.4459E-09 2.7233E-09 2.2448E-09 1.5542E-09 1.1854E-09 9.5705E-10 8.0193E-10 6.8984E-10 6.0513E-10 5.3878E-10 4.8567E-10 4.4189E-10 4.0548E-10 3.7448E-10 3.4785E-10 3.2483E-10 2.8677E-10 2.5683E-10 2.3245E-10 2.1229E-10 1.9529E-10 1.8085E-10 1.6836E-10 1.2528E-10 9.9737E-11 8.2841E-11 6.1882E-11 4.9380E-11 3.2814E-11 2.4569E-11 1.6355E-11 1.2253E-11 9.7977E-12 8.1622E-12 6.1190E-12 4.8943E-12 3.2619E-12 2.4464E-12 1.6294E-12 1.2226E-12 9.7796E-13 8.1502E-13 6.1115E-13 4.8898E-13 3.2589E-13 2.4449E-13 1.6294E-13 1.2223E-13 9.7781E-14 8.1487E-14 6.1115E-14 4.8883E-14 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 4.7047E-06 7.6569E-06 1.5728E-05 2.6405E-05 3.9293E-05 7.0193E-05 1.0583E-04 1.1411E-04 1.4420E-04 2.2399E-04 3.0392E-04 4.9364E-04 6.6276E-04 8.1532E-04 9.5103E-04 1.0738E-03 1.1853E-03 1.2867E-03 1.3792E-03 1.4642E-03 1.5437E-03 1.6174E-03 1.6866E-03 1.7513E-03 1.8717E-03 1.9800E-03 2.0793E-03 2.1696E-03 2.2538E-03 2.3306E-03 2.4028E-03 2.7052E-03 2.9369E-03 3.1235E-03 3.4078E-03 3.6170E-03 3.9615E-03 4.1751E-03 4.4279E-03 4.5754E-03 4.6731E-03 4.7424E-03 4.8371E-03 4.8973E-03 4.9861E-03 5.0342E-03 5.0854E-03 5.1170E-03 5.1350E-03 5.1471E-03 5.1636E-03 5.1742E-03 5.1862E-03 5.1952E-03 5.2028E-03 5.2073E-03 5.2103E-03 5.2118E-03 5.2133E-03 5.2148E-03 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 1.1613E-07 3.4457E-06 1.2142E-05 4.9575E-05 9.8774E-05 1.5166E-04 2.0462E-04 2.5592E-04 3.0512E-04 3.5192E-04 3.9645E-04 4.3858E-04 4.7845E-04 5.1636E-04 5.5247E-04 5.8693E-04 6.5117E-04 7.0985E-04 7.6416E-04 8.1442E-04 8.6106E-04 9.0469E-04 9.4561E-04 1.1189E-03 1.2554E-03 1.3672E-03 1.5422E-03 1.6776E-03 1.9123E-03 2.0688E-03 2.2704E-03 2.3953E-03 2.4825E-03 2.5472E-03 2.6375E-03 2.6977E-03 2.7894E-03 2.8406E-03 2.8978E-03 2.9309E-03 2.9504E-03 2.9655E-03 2.9850E-03 2.9971E-03 3.0136E-03 3.0227E-03 3.0317E-03 3.0377E-03 3.0422E-03 3.0437E-03 3.0467E-03 3.0482E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Rh.mat0000644000276300001750000002005013136054446020325 0ustar solebliss00000000000000Rh 1 45 1.000000 5 7 3 3 9 84 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 3.0000E-03 3.0038E-03 3.0038E-03 3.0741E-03 3.1461E-03 3.1461E-03 3.2763E-03 3.4119E-03 3.4119E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 2.3220E-02 2.3220E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 7.4907E+00 5.1650E+01 8.4627E+00 7.0986E+00 6.6597E+00 5.7743E+00 5.7708E+00 5.7708E+00 5.7093E+00 5.6502E+00 5.6502E+00 5.5433E+00 5.4325E+00 5.4325E+00 4.9813E+00 4.3183E+00 3.7787E+00 2.9875E+00 2.4427E+00 1.5871E+00 1.0938E+00 8.9069E-01 8.9069E-01 6.1506E-01 4.0169E-01 2.8254E-01 2.0874E-01 1.2740E-01 8.6201E-02 4.1790E-02 2.4567E-02 1.6130E-02 1.1388E-02 8.4645E-03 6.5368E-03 5.1997E-03 4.2340E-03 3.5137E-03 2.9623E-03 2.5309E-03 1.9087E-03 1.6801E-03 1.4902E-03 1.1954E-03 1.0797E-03 1.0341E-03 6.9347E-04 6.4141E-04 5.5332E-04 4.8215E-04 4.2389E-04 3.3513E-04 2.7165E-04 2.6013E-04 2.2466E-04 1.6095E-04 1.2090E-04 6.8001E-05 4.3546E-05 3.0244E-05 2.2220E-05 1.7012E-05 1.3442E-05 1.0891E-05 9.0005E-06 7.5609E-06 6.4432E-06 5.5560E-06 4.8403E-06 4.2539E-06 3.3614E-06 2.7224E-06 2.2501E-06 1.8908E-06 1.6111E-06 1.3893E-06 1.2102E-06 6.8060E-07 4.3563E-07 3.0250E-07 1.7018E-07 1.0891E-07 4.8403E-08 2.7224E-08 1.2102E-08 6.8060E-09 4.3563E-09 3.0250E-09 1.7018E-09 1.0891E-09 4.8403E-10 2.7224E-10 1.2102E-10 6.8060E-11 4.3563E-11 3.0250E-11 1.7018E-11 1.0891E-11 4.8403E-12 2.7224E-12 1.2102E-12 6.8060E-13 4.3563E-13 3.0250E-13 1.7018E-13 1.0891E-13 INCOHERENT SCATTERING CROSS SECTION 5.5291E-03 6.2421E-03 2.1332E-03 1.0025E-02 1.4537E-02 2.3128E-02 2.3157E-02 2.3157E-02 2.3720E-02 2.4315E-02 2.4315E-02 2.5360E-02 2.6416E-02 2.6416E-02 3.0923E-02 3.8039E-02 4.4622E-02 5.6209E-02 6.5661E-02 8.2398E-02 9.3575E-02 9.8900E-02 9.8900E-02 1.0703E-01 1.1400E-01 1.1757E-01 1.1909E-01 1.1897E-01 1.1687E-01 1.0961E-01 1.0247E-01 9.6211E-02 9.0825E-02 8.6172E-02 8.2105E-02 7.8512E-02 7.5317E-02 7.2457E-02 6.9874E-02 6.7522E-02 6.3391E-02 6.1564E-02 5.9871E-02 5.6826E-02 5.5449E-02 5.4869E-02 4.9638E-02 4.8650E-02 4.6815E-02 4.5143E-02 4.3612E-02 4.0897E-02 3.8554E-02 3.8080E-02 3.6506E-02 3.3094E-02 3.0349E-02 2.5322E-02 2.1869E-02 1.9329E-02 1.7375E-02 1.5812E-02 1.4537E-02 1.3472E-02 1.2564E-02 1.1780E-02 1.1101E-02 1.0505E-02 9.9720E-03 9.4921E-03 8.6787E-03 7.9998E-03 7.4322E-03 6.9464E-03 6.5251E-03 6.1506E-03 5.8258E-03 4.6296E-03 3.8647E-03 3.3298E-03 2.6258E-03 2.1793E-03 1.5520E-03 1.2172E-03 8.6260E-04 6.7533E-04 5.5923E-04 4.7882E-04 3.7395E-04 3.0765E-04 2.1483E-04 1.6632E-04 1.1564E-04 8.9245E-05 7.2976E-05 6.1857E-05 4.7671E-05 3.8922E-05 2.6902E-05 2.0681E-05 1.4262E-05 1.0949E-05 8.9186E-06 7.5375E-06 5.7795E-06 4.7022E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 6.1623E+03 1.2438E+06 3.0448E+04 2.4193E+03 1.2073E+03 4.3838E+02 4.3692E+02 1.5075E+03 1.4165E+03 1.3319E+03 1.8411E+03 1.6656E+03 1.5069E+03 1.7258E+03 1.1652E+03 6.5427E+02 4.0625E+02 1.8844E+02 1.0276E+02 3.3503E+01 1.4952E+01 9.7964E+00 6.3144E+01 3.2579E+01 1.4923E+01 8.0466E+00 4.8198E+00 2.1185E+00 1.1107E+00 3.4024E-01 1.4718E-01 7.7453E-02 4.6278E-02 3.0220E-02 2.1068E-02 1.5444E-02 1.1786E-02 9.2929E-03 7.5141E-03 6.1994E-03 4.4543E-03 3.8700E-03 3.4094E-03 2.7032E-03 2.4134E-03 2.2964E-03 1.5491E-03 1.4420E-03 1.2592E-03 1.1113E-03 9.9121E-04 8.0922E-04 6.7826E-04 6.5427E-04 5.8054E-04 4.4746E-04 3.6160E-04 2.4052E-04 1.7837E-04 1.4109E-04 1.1640E-04 9.8901E-05 8.5909E-05 7.5843E-05 6.7884E-05 6.1447E-05 5.6081E-05 5.1575E-05 4.7730E-05 4.4417E-05 3.8993E-05 3.4744E-05 3.1326E-05 2.8517E-05 2.6171E-05 2.4175E-05 2.2466E-05 1.6591E-05 1.3144E-05 1.0885E-05 8.0993E-06 6.4490E-06 4.2709E-06 3.1929E-06 2.1220E-06 1.5888E-06 1.2699E-06 1.0575E-06 7.9237E-07 6.3378E-07 4.2211E-07 3.1648E-07 2.1091E-07 1.5818E-07 1.2652E-07 1.0545E-07 7.9062E-08 6.3261E-08 4.2164E-08 3.1619E-08 2.1079E-08 1.5812E-08 1.2646E-08 1.0540E-08 7.9062E-09 6.3261E-09 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.4976E-04 2.3297E-04 4.4417E-04 7.0459E-04 1.0051E-03 1.6970E-03 2.4655E-03 2.6399E-03 3.2651E-03 4.8747E-03 6.4373E-03 1.0007E-02 1.3109E-02 1.5789E-02 1.8188E-02 2.0348E-02 2.2308E-02 2.4105E-02 2.5755E-02 2.7271E-02 2.8675E-02 2.9969E-02 3.1162E-02 3.2280E-02 3.4328E-02 3.6160E-02 3.7828E-02 3.9338E-02 4.0719E-02 4.1983E-02 4.3148E-02 4.7870E-02 5.1370E-02 5.4103E-02 5.8135E-02 6.0979E-02 6.5544E-02 6.8294E-02 7.1454E-02 7.3268E-02 7.4497E-02 7.5317E-02 7.6487E-02 7.7189E-02 7.8301E-02 7.8886E-02 7.9472E-02 7.9823E-02 8.0057E-02 8.0232E-02 8.0408E-02 8.0525E-02 8.0700E-02 8.0759E-02 8.0876E-02 8.0935E-02 8.0935E-02 8.0993E-02 8.0993E-02 8.1052E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.0161E-07 3.0137E-06 1.0616E-05 4.3317E-05 8.6260E-05 1.3232E-04 1.7820E-04 2.2267E-04 2.6522E-04 3.0566E-04 3.4387E-04 3.7992E-04 4.1392E-04 4.4628E-04 4.7689E-04 5.0597E-04 5.5981E-04 6.0862E-04 6.5368E-04 6.9523E-04 7.3327E-04 7.6838E-04 8.0115E-04 9.3751E-04 1.0405E-03 1.1230E-03 1.2465E-03 1.3366E-03 1.4864E-03 1.5801E-03 1.6948E-03 1.7638E-03 1.8106E-03 1.8452E-03 1.8932E-03 1.9248E-03 1.9722E-03 1.9985E-03 2.0278E-03 2.0447E-03 2.0553E-03 2.0629E-03 2.0722E-03 2.0787E-03 2.0869E-03 2.0921E-03 2.0968E-03 2.0997E-03 2.1015E-03 2.1027E-03 2.1038E-03 2.1050E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/Sb.mat0000644000276300001750000002005013136054446020320 0ustar solebliss00000000000000Sb 1 51 1.000000 5 8 3 3 9 83 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 3.0000E-03 4.0000E-03 4.1322E-03 4.1322E-03 4.2545E-03 4.3804E-03 4.3804E-03 4.5366E-03 4.6983E-03 4.6983E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 3.0491E-02 3.0491E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 8.1120E+00 5.5111E+01 9.1920E+00 7.6717E+00 7.1870E+00 6.2670E+00 5.4657E+00 5.3717E+00 5.3717E+00 5.2834E+00 5.1936E+00 5.1936E+00 5.0876E+00 4.9809E+00 4.9809E+00 4.7846E+00 4.2049E+00 3.3111E+00 2.6898E+00 1.7733E+00 1.2524E+00 7.0782E-01 6.9100E-01 6.9100E-01 4.6159E-01 3.2745E-01 2.4380E-01 1.4953E-01 1.0120E-01 4.9191E-02 2.9055E-02 1.9133E-02 1.3533E-02 1.0071E-02 7.7855E-03 6.1980E-03 5.0502E-03 4.1931E-03 3.5366E-03 3.0230E-03 2.2818E-03 2.0092E-03 1.7824E-03 1.4304E-03 1.2925E-03 1.2381E-03 8.3049E-04 7.6818E-04 6.6285E-04 5.7773E-04 5.0798E-04 4.0164E-04 3.2562E-04 3.1182E-04 2.6933E-04 1.9294E-04 1.4493E-04 8.1565E-05 5.2233E-05 3.6271E-05 2.6651E-05 2.0404E-05 1.6125E-05 1.3058E-05 1.0793E-05 9.0715E-06 7.7261E-06 6.6627E-06 5.8070E-06 5.0996E-06 4.0312E-06 3.2656E-06 2.6987E-06 2.2674E-06 1.9320E-06 1.6659E-06 1.4512E-06 8.1614E-07 5.2233E-07 3.6281E-07 2.0408E-07 1.3063E-07 5.8070E-08 3.2651E-08 1.4512E-08 8.1614E-09 5.2233E-09 3.6281E-09 2.0408E-09 1.3058E-09 5.8070E-10 3.2651E-10 1.4512E-10 8.1614E-11 5.2233E-11 3.6281E-11 2.0408E-11 1.3058E-11 5.8070E-12 3.2651E-12 1.4512E-12 8.1614E-13 5.2233E-13 3.6281E-13 2.0408E-13 1.3058E-13 INCOHERENT SCATTERING CROSS SECTION 5.0255E-03 5.7937E-03 1.8693E-03 9.3238E-03 1.3667E-02 2.1818E-02 2.8985E-02 2.9871E-02 2.9871E-02 3.0668E-02 3.1473E-02 3.1473E-02 3.2464E-02 3.3477E-02 3.3477E-02 3.5317E-02 4.1040E-02 5.1194E-02 6.0048E-02 7.6569E-02 8.7253E-02 1.0001E-01 1.0046E-01 1.0046E-01 1.0674E-01 1.1030E-01 1.1203E-01 1.1238E-01 1.1070E-01 1.0417E-01 9.7591E-02 9.1744E-02 8.6659E-02 8.2243E-02 7.8399E-02 7.5029E-02 7.2018E-02 6.9293E-02 6.6825E-02 6.4585E-02 6.0656E-02 5.8911E-02 5.7287E-02 5.4375E-02 5.3074E-02 5.2530E-02 4.7524E-02 4.6577E-02 4.4822E-02 4.3226E-02 4.1763E-02 3.9166E-02 3.6919E-02 3.6464E-02 3.4955E-02 3.1690E-02 2.9065E-02 2.4252E-02 2.0948E-02 1.8519E-02 1.6644E-02 1.5151E-02 1.3924E-02 1.2905E-02 1.2034E-02 1.1287E-02 1.0635E-02 1.0061E-02 9.5513E-03 9.0963E-03 8.3148E-03 7.6668E-03 7.1177E-03 6.6528E-03 6.2472E-03 5.8960E-03 5.5794E-03 4.4349E-03 3.7018E-03 3.1894E-03 2.5157E-03 2.0878E-03 1.4869E-03 1.1658E-03 8.2603E-04 6.4698E-04 5.3569E-04 4.5862E-04 3.5821E-04 2.9470E-04 2.0582E-04 1.5927E-04 1.1075E-04 8.5472E-05 6.9891E-05 5.9257E-05 4.5669E-05 3.7285E-05 2.5765E-05 1.9810E-05 1.3662E-05 1.0491E-05 8.5423E-06 7.2216E-06 5.5349E-06 4.5041E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 8.5769E+03 1.4283E+06 3.9992E+04 3.4832E+03 1.7599E+03 6.4698E+02 3.1137E+02 2.8644E+02 8.6412E+02 8.1687E+02 7.7212E+02 1.0447E+03 9.6350E+02 8.8885E+02 1.0244E+03 8.7995E+02 5.5250E+02 2.5973E+02 1.4310E+02 4.7386E+01 2.1338E+01 6.8210E+00 6.5143E+00 3.9937E+01 1.9696E+01 1.0763E+01 6.5192E+00 2.9139E+00 1.5457E+00 4.8276E-01 2.1141E-01 1.1219E-01 6.7468E-02 4.4294E-02 3.1018E-02 2.2820E-02 1.7460E-02 1.3789E-02 1.1164E-02 9.2239E-03 6.6446E-03 5.7773E-03 5.0915E-03 4.0383E-03 3.6069E-03 3.4327E-03 2.3149E-03 2.1543E-03 1.8799E-03 1.6580E-03 1.4777E-03 1.2048E-03 1.0095E-03 9.7393E-04 8.6417E-04 6.6494E-04 5.3618E-04 3.5544E-04 2.6300E-04 2.0765E-04 1.7104E-04 1.4517E-04 1.2598E-04 1.1119E-04 9.9470E-05 8.9924E-05 8.2059E-05 7.5431E-05 6.9792E-05 6.4896E-05 5.6932E-05 5.0700E-05 4.5714E-05 4.1599E-05 3.8161E-05 3.5247E-05 3.2745E-05 2.4163E-05 1.9137E-05 1.5843E-05 1.1782E-05 9.3782E-06 6.2126E-06 4.6416E-06 3.0840E-06 2.3089E-06 1.8455E-06 1.5368E-06 1.1515E-06 9.2100E-07 6.1334E-07 4.5991E-07 3.0647E-07 2.2986E-07 1.8385E-07 1.5319E-07 1.1490E-07 9.1903E-08 6.1285E-08 4.5946E-08 3.0633E-08 2.2971E-08 1.8376E-08 1.5314E-08 1.1485E-08 9.1903E-09 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 1.7698E-04 2.7459E-04 5.2066E-04 8.2109E-04 1.1640E-03 1.9417E-03 2.7937E-03 2.9861E-03 3.6728E-03 5.4231E-03 7.1079E-03 1.0936E-02 1.4240E-02 1.7094E-02 1.9632E-02 2.1917E-02 2.3990E-02 2.5889E-02 2.7640E-02 2.9257E-02 3.0766E-02 3.2151E-02 3.3432E-02 3.4619E-02 3.6796E-02 3.8740E-02 4.0505E-02 4.2108E-02 4.3572E-02 4.4913E-02 4.6149E-02 5.1145E-02 5.4904E-02 5.7773E-02 6.2076E-02 6.5093E-02 6.9941E-02 7.2810E-02 7.6173E-02 7.8102E-02 7.9388E-02 8.0279E-02 8.1515E-02 8.2307E-02 8.3444E-02 8.4038E-02 8.4730E-02 8.5077E-02 8.5324E-02 8.5472E-02 8.5670E-02 8.5819E-02 8.5967E-02 8.6066E-02 8.6165E-02 8.6214E-02 8.6264E-02 8.6313E-02 8.6313E-02 8.6363E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 9.7304E-08 2.8858E-06 1.0165E-05 4.1470E-05 8.2554E-05 1.2663E-04 1.7055E-04 2.1304E-04 2.5370E-04 2.9233E-04 3.2883E-04 3.6326E-04 3.9566E-04 4.2652E-04 4.5570E-04 4.8340E-04 5.3470E-04 5.8119E-04 6.2422E-04 6.6330E-04 6.9941E-04 7.3304E-04 7.6421E-04 8.9330E-04 9.9124E-04 1.0689E-03 1.1861E-03 1.2707E-03 1.4112E-03 1.4992E-03 1.6071E-03 1.6719E-03 1.7159E-03 1.7485E-03 1.7930E-03 1.8227E-03 1.8667E-03 1.8920E-03 1.9192E-03 1.9350E-03 1.9449E-03 1.9518E-03 1.9607E-03 1.9667E-03 1.9746E-03 1.9790E-03 1.9835E-03 1.9864E-03 1.9879E-03 1.9889E-03 1.9899E-03 1.9909E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/mylar.mat0000644000276300001750000001645613136054446021117 0ustar solebliss00000000000000Mylar 3 1 6 8 0.056000 0.500000 0.444000 1 96 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.2256E+00 5.1485E+01 1.5267E+00 1.1140E+00 9.9061E-01 7.6064E-01 5.8418E-01 4.5865E-01 3.7032E-01 2.5990E-01 1.9628E-01 1.1556E-01 7.6666E-02 4.0290E-02 2.4595E-02 1.6533E-02 1.1862E-02 6.9372E-03 4.5340E-03 2.0632E-03 1.1708E-03 7.5260E-04 5.2391E-04 3.8547E-04 2.9541E-04 2.3357E-04 1.8928E-04 1.5649E-04 1.3153E-04 1.1210E-04 8.4223E-05 7.4027E-05 6.5572E-05 5.2497E-05 4.7389E-05 4.5376E-05 3.0341E-05 2.8050E-05 2.4184E-05 2.1067E-05 1.8518E-05 1.4635E-05 1.1852E-05 1.1345E-05 9.7910E-06 7.0109E-06 5.2680E-06 2.9635E-06 1.8964E-06 1.3170E-06 9.6746E-07 7.4085E-07 5.8537E-07 4.7413E-07 3.9181E-07 3.2923E-07 2.8056E-07 2.4189E-07 2.1073E-07 1.8519E-07 1.4633E-07 1.1852E-07 9.7970E-08 8.2310E-08 7.0145E-08 6.0470E-08 5.2680E-08 2.9635E-08 1.8964E-08 1.3170E-08 7.4085E-09 4.7410E-09 2.1069E-09 1.1850E-09 5.2675E-10 2.9632E-10 1.8959E-10 1.3167E-10 7.4085E-11 4.7410E-11 2.1069E-11 1.1850E-11 5.2675E-12 2.9632E-12 1.8959E-12 1.3167E-12 7.4085E-13 4.7410E-13 2.1069E-13 1.1850E-13 5.2675E-14 2.9632E-14 1.8959E-14 1.3167E-14 7.4085E-15 4.7410E-15 INCOHERENT SCATTERING CROSS SECTION 1.2914E-02 8.0974E-03 4.1781E-03 2.5907E-02 4.0234E-02 6.7421E-02 8.9402E-02 1.0591E-01 1.1815E-01 1.3460E-01 1.4514E-01 1.6048E-01 1.6846E-01 1.7418E-01 1.7401E-01 1.7165E-01 1.6844E-01 1.6143E-01 1.5462E-01 1.4004E-01 1.2862E-01 1.1952E-01 1.1207E-01 1.0582E-01 1.0049E-01 9.5875E-02 9.1813E-02 8.8189E-02 8.4937E-02 8.2003E-02 7.6889E-02 7.4632E-02 7.2540E-02 6.8795E-02 6.7121E-02 6.6421E-02 6.0021E-02 5.8814E-02 5.6582E-02 5.4557E-02 5.2705E-02 4.9416E-02 4.6557E-02 4.5975E-02 4.4054E-02 3.9929E-02 3.6624E-02 3.0550E-02 2.6384E-02 2.3319E-02 2.0960E-02 1.9075E-02 1.7535E-02 1.6246E-02 1.5153E-02 1.4211E-02 1.3386E-02 1.2665E-02 1.2025E-02 1.1450E-02 1.0464E-02 9.6496E-03 8.9648E-03 8.3773E-03 7.8647E-03 7.4198E-03 7.0248E-03 5.5827E-03 4.6605E-03 4.0143E-03 3.1667E-03 2.6283E-03 1.8716E-03 1.4676E-03 1.0400E-03 8.1457E-04 6.7435E-04 5.7749E-04 4.5095E-04 3.7098E-04 2.5909E-04 2.0054E-04 1.3941E-04 1.0761E-04 8.8012E-05 7.4629E-05 5.7480E-05 4.6930E-05 3.2438E-05 2.4939E-05 1.7198E-05 1.3204E-05 1.0754E-05 9.0890E-06 6.9707E-06 5.6686E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 3.1424E+03 1.1400E+07 2.1706E+04 1.0368E+03 4.5888E+02 1.4074E+02 5.9600E+01 3.0287E+01 1.7304E+01 7.0794E+00 3.5097E+00 9.6384E-01 3.8074E-01 1.0140E-01 3.9360E-02 1.8834E-02 1.0298E-02 3.9694E-03 1.8968E-03 5.0064E-04 1.9752E-04 9.7594E-05 5.5697E-05 3.5122E-05 2.3822E-05 1.7088E-05 1.2835E-05 1.0006E-05 7.9908E-06 6.4913E-06 4.5953E-06 4.0320E-06 3.6261E-06 2.9060E-06 2.5067E-06 2.3294E-06 1.5816E-06 1.4855E-06 1.3023E-06 1.1477E-06 1.0262E-06 8.4916E-07 7.2260E-07 6.9903E-07 6.2601E-07 4.9210E-07 4.0416E-07 2.7761E-07 2.1059E-07 1.6935E-07 1.4152E-07 1.2145E-07 1.0636E-07 9.4586E-08 8.5137E-08 7.7392E-08 7.0940E-08 6.5470E-08 6.0793E-08 5.6735E-08 5.0051E-08 4.4762E-08 4.0493E-08 3.6958E-08 3.3993E-08 3.1461E-08 2.9292E-08 2.1763E-08 1.7310E-08 1.4372E-08 1.0730E-08 8.5576E-09 5.6826E-09 4.2550E-09 2.8303E-09 2.1212E-09 1.6959E-09 1.4127E-09 1.0590E-09 8.4696E-10 5.6442E-10 4.2325E-10 2.8209E-10 2.1155E-10 1.6923E-10 1.4101E-10 1.0576E-10 8.4607E-11 5.6398E-11 4.2303E-11 2.8206E-11 2.1152E-11 1.6921E-11 1.4100E-11 1.0576E-11 8.4604E-12 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 1.6078E-05 2.6072E-05 5.3253E-05 8.9057E-05 1.3221E-04 2.3562E-04 3.5474E-04 3.8234E-04 4.8266E-04 7.4852E-04 1.0148E-03 1.6466E-03 2.2095E-03 2.7156E-03 3.1665E-03 3.5721E-03 3.9420E-03 4.2762E-03 4.5811E-03 4.8609E-03 5.1219E-03 5.3640E-03 5.5897E-03 5.8047E-03 6.1941E-03 6.5436E-03 6.8633E-03 7.1525E-03 7.4178E-03 7.6628E-03 7.8900E-03 8.8178E-03 9.5213E-03 1.0079E-02 1.0925E-02 1.1547E-02 1.2583E-02 1.3225E-02 1.4005E-02 1.4463E-02 1.4769E-02 1.4992E-02 1.5290E-02 1.5486E-02 1.5772E-02 1.5930E-02 1.6102E-02 1.6192E-02 1.6252E-02 1.6293E-02 1.6347E-02 1.6379E-02 1.6426E-02 1.6453E-02 1.6479E-02 1.6494E-02 1.6500E-02 1.6509E-02 1.6515E-02 1.6521E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 1.2257E-07 3.6367E-06 1.2814E-05 5.2318E-05 1.0426E-04 1.6010E-04 2.1588E-04 2.7005E-04 3.2197E-04 3.7146E-04 4.1844E-04 4.6288E-04 5.0489E-04 5.4508E-04 5.8303E-04 6.1930E-04 6.8692E-04 7.4868E-04 8.0584E-04 8.5856E-04 9.0740E-04 9.5328E-04 9.9602E-04 1.1763E-03 1.3168E-03 1.4311E-03 1.6087E-03 1.7429E-03 1.9765E-03 2.1306E-03 2.3288E-03 2.4526E-03 2.5387E-03 2.6033E-03 2.6936E-03 2.7542E-03 2.8462E-03 2.8985E-03 2.9563E-03 2.9900E-03 3.0113E-03 3.0260E-03 3.0456E-03 3.0583E-03 3.0752E-03 3.0850E-03 3.0947E-03 3.1010E-03 3.1042E-03 3.1070E-03 3.1094E-03 3.1113E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/P.mat0000644000276300001750000001666213136054446020171 0ustar solebliss00000000000000Phosphor 1 15 1.000000 2 6 92 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 2.1455E-03 2.1455E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 3.0000E-01 3.5000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 2.6559E+00 6.1911E+01 3.2840E+00 2.4128E+00 2.1640E+00 2.0959E+00 2.0959E+00 1.7446E+00 1.4479E+00 1.2369E+00 1.0758E+00 8.3293E-01 6.5386E-01 3.8244E-01 2.5023E-01 1.3410E-01 8.4498E-02 5.8056E-02 4.2230E-02 2.5120E-02 1.6627E-02 7.7246E-03 4.4349E-03 2.8689E-03 2.0045E-03 1.4784E-03 1.1349E-03 8.9841E-04 7.2871E-04 6.0280E-04 5.0687E-04 4.3214E-04 3.2487E-04 2.8561E-04 2.5306E-04 2.0266E-04 1.8294E-04 1.7516E-04 1.1714E-04 1.0831E-04 9.3401E-05 8.1368E-05 7.1514E-05 5.6506E-05 4.5788E-05 4.3843E-05 3.7860E-05 2.7109E-05 2.0357E-05 1.1450E-05 7.3280E-06 5.0882E-06 3.7388E-06 2.8620E-06 2.2612E-06 1.8321E-06 1.5142E-06 1.2723E-06 1.0841E-06 9.3481E-07 8.1426E-07 7.1569E-07 5.6539E-07 4.5807E-07 3.7855E-07 3.1808E-07 2.7103E-07 2.3370E-07 2.0357E-07 1.1450E-07 7.3280E-08 5.0882E-08 2.8620E-08 1.8319E-08 8.1426E-09 4.5788E-09 2.0357E-09 1.1450E-09 7.3280E-10 5.0882E-10 2.8620E-10 1.8319E-10 8.1426E-11 4.5788E-11 2.0357E-11 1.1450E-11 7.3280E-12 5.0882E-12 2.8620E-12 1.8319E-12 8.1426E-13 4.5788E-13 2.0357E-13 1.1450E-13 7.3280E-14 5.0882E-14 2.8620E-14 1.8319E-14 INCOHERENT SCATTERING CROSS SECTION 1.1127E-02 2.8032E-02 4.1478E-03 2.0804E-02 3.0253E-02 3.2858E-02 3.2858E-02 4.6371E-02 5.8853E-02 6.8788E-02 7.7188E-02 9.1342E-02 1.0299E-01 1.2331E-01 1.3460E-01 1.4463E-01 1.4798E-01 1.4848E-01 1.4751E-01 1.4356E-01 1.3872E-01 1.2698E-01 1.1716E-01 1.0913E-01 1.0246E-01 9.6839E-02 9.2022E-02 8.7839E-02 8.4148E-02 8.0850E-02 7.7887E-02 7.5213E-02 7.0542E-02 6.8477E-02 6.6561E-02 6.3129E-02 6.1594E-02 6.0953E-02 5.5081E-02 5.3979E-02 5.1940E-02 5.0084E-02 4.8377E-02 4.5343E-02 4.2735E-02 4.2210E-02 4.0467E-02 3.6683E-02 3.3636E-02 2.8056E-02 2.4226E-02 2.1406E-02 1.9246E-02 1.7516E-02 1.6102E-02 1.4918E-02 1.3915E-02 1.3050E-02 1.2294E-02 1.1631E-02 1.1042E-02 1.0515E-02 9.6105E-03 8.8620E-03 8.2320E-03 7.6915E-03 7.2230E-03 6.8147E-03 6.4511E-03 5.1270E-03 4.2793E-03 3.6883E-03 2.9086E-03 2.4148E-03 1.7189E-03 1.3478E-03 9.5522E-04 7.4816E-04 6.1925E-04 5.3020E-04 4.1413E-04 3.4064E-04 2.3798E-04 1.8416E-04 1.2805E-04 9.8847E-05 8.0804E-05 6.8536E-05 5.2787E-05 4.3104E-05 2.9786E-05 2.2904E-05 1.5795E-05 1.2126E-05 9.8749E-06 8.3468E-06 6.4005E-06 5.2068E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 1.9101E+03 8.5271E+05 1.1987E+04 6.5230E+02 2.9961E+02 2.4731E+02 2.4712E+03 1.1162E+03 5.2262E+02 2.8484E+02 1.7147E+02 7.5671E+01 3.9605E+01 1.1883E+01 4.9696E+00 1.4213E+00 5.7706E-01 2.8522E-01 1.5968E-01 6.3694E-02 3.1167E-02 8.5334E-03 3.4414E-03 1.7248E-03 9.9411E-04 6.3149E-04 4.3085E-04 3.1052E-04 2.3390E-04 1.8255E-04 1.4627E-04 1.1962E-04 8.5153E-05 7.4135E-05 6.5707E-05 5.2229E-05 4.6079E-05 4.3493E-05 2.9475E-05 2.7546E-05 2.4132E-05 2.1329E-05 1.9075E-05 1.5705E-05 1.3293E-05 1.2850E-05 1.1478E-05 8.9679E-06 7.3280E-06 4.9890E-06 3.7602E-06 3.0117E-06 2.5081E-06 2.1465E-06 1.8760E-06 1.6653E-06 1.4969E-06 1.3590E-06 1.2445E-06 1.1475E-06 1.0647E-06 9.9274E-07 8.7473E-07 7.8160E-07 7.0655E-07 6.4433E-07 5.9242E-07 5.4809E-07 5.0998E-07 3.7835E-07 3.0078E-07 2.4945E-07 1.8607E-07 1.4837E-07 9.8477E-08 7.3688E-08 4.9015E-08 3.6727E-08 2.9358E-08 2.4459E-08 1.8329E-08 1.4658E-08 9.7680E-09 7.3241E-09 4.8821E-09 3.6611E-09 2.9281E-09 2.4401E-09 1.8301E-09 1.4640E-09 9.7602E-10 7.3202E-10 4.8801E-10 3.6591E-10 2.9281E-10 2.4401E-10 1.8298E-10 1.4638E-10 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 3.6999E-05 5.9618E-05 1.2053E-04 2.0007E-04 2.9543E-04 5.2334E-04 7.8626E-04 8.4731E-04 1.0687E-03 1.6511E-03 2.2301E-03 3.6008E-03 4.8179E-03 5.9086E-03 6.8769E-03 7.7518E-03 8.5431E-03 9.2606E-03 9.9119E-03 1.0509E-02 1.1063E-02 1.1578E-02 1.2060E-02 1.2511E-02 1.3340E-02 1.4080E-02 1.4749E-02 1.5358E-02 1.5916E-02 1.6429E-02 1.6903E-02 1.8869E-02 2.0337E-02 2.1484E-02 2.3195E-02 2.4420E-02 2.6403E-02 2.7609E-02 2.9047E-02 2.9903E-02 3.0447E-02 3.0856E-02 3.1400E-02 3.1750E-02 3.2275E-02 3.2547E-02 3.2858E-02 3.3014E-02 3.3130E-02 3.3189E-02 3.3286E-02 3.3344E-02 3.3441E-02 3.3480E-02 3.3519E-02 3.3558E-02 3.3578E-02 3.3578E-02 3.3597E-02 3.3597E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 1.1255E-07 3.3394E-06 1.1767E-05 4.8043E-05 9.5736E-05 1.4703E-04 1.9812E-04 2.4789E-04 2.9553E-04 3.4083E-04 3.8380E-04 4.2443E-04 4.6293E-04 4.9948E-04 5.3429E-04 5.6734E-04 6.2878E-04 6.8497E-04 7.3668E-04 7.8432E-04 8.2865E-04 8.6987E-04 9.0836E-04 1.0693E-03 1.1938E-03 1.2937E-03 1.4471E-03 1.5609E-03 1.7539E-03 1.8786E-03 2.0357E-03 2.1329E-03 2.1990E-03 2.2495E-03 2.3195E-03 2.3662E-03 2.4381E-03 2.4770E-03 2.5217E-03 2.5489E-03 2.5645E-03 2.5762E-03 2.5917E-03 2.6014E-03 2.6150E-03 2.6228E-03 2.6287E-03 2.6345E-03 2.6364E-03 2.6384E-03 2.6403E-03 2.6423E-03 PyMca5-5.2.2/PyMca5/PyMcaData/attdata/O.mat0000644000276300001750000001642013136054446020160 0ustar solebliss00000000000000Oxygen 1 8 1.000000 1 96 ENERGY LIST 1.0000E-03 1.0000E-04 5.0000E-04 1.5000E-03 2.0000E-03 3.0000E-03 4.0000E-03 5.0000E-03 6.0000E-03 8.0000E-03 1.0000E-02 1.5000E-02 2.0000E-02 3.0000E-02 4.0000E-02 5.0000E-02 6.0000E-02 8.0000E-02 1.0000E-01 1.5000E-01 2.0000E-01 2.5000E-01 2.5000E-01 3.0000E-01 4.0000E-01 4.5000E-01 5.0000E-01 5.5000E-01 6.0000E-01 6.5000E-01 7.5000E-01 8.0000E-01 8.5000E-01 9.5000E-01 1.0000E+00 1.0220E+00 1.2500E+00 1.3000E+00 1.4000E+00 1.5000E+00 1.6000E+00 1.8000E+00 2.0000E+00 2.0440E+00 2.2000E+00 2.6000E+00 3.0000E+00 4.0000E+00 5.0000E+00 6.0000E+00 7.0000E+00 8.0000E+00 9.0000E+00 1.0000E+01 1.1000E+01 1.2000E+01 1.3000E+01 1.4000E+01 1.5000E+01 1.6000E+01 1.8000E+01 2.0000E+01 2.2000E+01 2.4000E+01 2.6000E+01 2.8000E+01 3.0000E+01 4.0000E+01 5.0000E+01 6.0000E+01 8.0000E+01 1.0000E+02 1.5000E+02 2.0000E+02 3.0000E+02 4.0000E+02 5.0000E+02 6.0000E+02 8.0000E+02 1.0000E+03 1.5000E+03 2.0000E+03 3.0000E+03 4.0000E+03 5.0000E+03 6.0000E+03 8.0000E+03 1.0000E+04 1.5000E+04 2.0000E+04 3.0000E+04 4.0000E+04 5.0000E+04 6.0000E+04 8.0000E+04 1.0000E+05 COHERENT SCATTERING CROSS SECTION 1.5015E+00 2.8632E+01 1.7906E+00 1.3919E+00 1.2632E+00 1.0023E+00 7.8328E-01 6.1804E-01 4.9797E-01 3.4467E-01 2.5648E-01 1.4860E-01 9.8880E-02 5.2470E-02 3.2148E-02 2.1662E-02 1.5575E-02 9.1389E-03 5.9885E-03 2.7342E-03 1.5538E-03 9.9939E-04 9.9939E-04 6.9596E-04 3.9258E-04 3.1043E-04 2.5158E-04 2.0800E-04 1.7484E-04 1.4902E-04 1.1198E-04 9.8428E-05 8.7182E-05 6.9795E-05 6.3009E-05 6.0337E-05 4.0350E-05 3.7302E-05 3.2158E-05 2.8012E-05 2.4623E-05 1.9461E-05 1.5760E-05 1.5086E-05 1.3018E-05 9.3216E-06 7.0048E-06 3.9409E-06 2.5215E-06 1.7510E-06 1.2865E-06 9.8503E-07 7.7839E-07 6.3047E-07 5.2093E-07 4.3775E-07 3.7305E-07 3.2163E-07 2.8019E-07 2.4624E-07 1.9456E-07 1.5760E-07 1.3027E-07 1.0946E-07 9.3271E-08 8.0399E-08 7.0048E-08 3.9409E-08 2.5215E-08 1.7510E-08 9.8503E-09 6.3047E-09 2.8015E-09 1.5756E-09 7.0048E-10 3.9409E-10 2.5211E-10 1.7510E-10 9.8503E-11 6.3047E-11 2.8015E-11 1.5756E-11 7.0048E-12 3.9409E-12 2.5211E-12 1.7510E-12 9.8503E-13 6.3047E-13 2.8015E-13 1.5756E-13 7.0048E-14 3.9409E-14 2.5211E-14 1.7510E-14 9.8503E-15 6.3047E-15 INCOHERENT SCATTERING CROSS SECTION 8.5141E-03 1.6334E-03 2.5572E-03 1.7679E-02 2.8456E-02 5.0889E-02 7.0989E-02 8.7437E-02 1.0031E-01 1.1815E-01 1.2944E-01 1.4544E-01 1.5402E-01 1.6132E-01 1.6242E-01 1.6091E-01 1.5835E-01 1.5222E-01 1.4604E-01 1.3253E-01 1.2180E-01 1.1322E-01 1.1322E-01 1.0618E-01 9.5229E-02 9.0866E-02 8.7023E-02 8.3593E-02 8.0511E-02 7.7730E-02 7.2890E-02 7.0763E-02 6.8796E-02 6.5256E-02 6.3649E-02 6.2971E-02 5.6911E-02 5.5767E-02 5.3640E-02 5.1717E-02 4.9974E-02 4.6884E-02 4.4151E-02 4.3587E-02 4.1738E-02 3.7834E-02 3.4726E-02 2.8968E-02 2.5015E-02 2.2110E-02 1.9874E-02 1.8086E-02 1.6625E-02 1.5406E-02 1.4367E-02 1.3475E-02 1.2692E-02 1.2007E-02 1.1401E-02 1.0859E-02 9.9218E-03 9.1502E-03 8.4991E-03 7.9420E-03 7.4564E-03 7.0349E-03 6.6622E-03 5.2922E-03 4.4189E-03 3.8054E-03 3.0025E-03 2.4921E-03 1.7747E-03 1.3915E-03 9.8616E-04 7.7237E-04 6.3950E-04 5.4766E-04 4.2759E-04 3.5178E-04 2.4567E-04 1.9016E-04 1.3219E-04 1.0204E-04 8.3447E-05 7.0763E-05 5.4502E-05 4.4490E-05 3.0759E-05 2.3645E-05 1.6309E-05 1.2519E-05 1.0197E-05 8.6195E-06 6.6095E-06 5.3750E-06 PHOTOELECTRIC ABSORPTION CROSS SECTION 4.5883E+03 1.6974E+07 3.0554E+04 1.5474E+03 6.9370E+02 2.1601E+02 9.2293E+01 4.7200E+01 2.7097E+01 1.1168E+01 5.5669E+00 1.5417E+00 6.1240E-01 1.6411E-01 6.3950E-02 3.0680E-02 1.6806E-02 6.4966E-03 3.1106E-03 8.2281E-04 3.2509E-04 1.6084E-04 1.6084E-04 9.1879E-05 3.9334E-05 2.8226E-05 2.1206E-05 1.6532E-05 1.3208E-05 1.0740E-05 7.6084E-06 6.6660E-06 5.9791E-06 4.7848E-06 4.1441E-06 3.8618E-06 2.6220E-06 2.4607E-06 2.1571E-06 1.9023E-06 1.7013E-06 1.4071E-06 1.1966E-06 1.1574E-06 1.0362E-06 8.1419E-07 6.6848E-07 4.5883E-07 3.4787E-07 2.7966E-07 2.3363E-07 2.0047E-07 1.7551E-07 1.5605E-07 1.4047E-07 1.2767E-07 1.1702E-07 1.0799E-07 1.0027E-07 9.3572E-08 8.2544E-08 7.3812E-08 6.6773E-08 6.0939E-08 5.6046E-08 5.1868E-08 4.8292E-08 3.5874E-08 2.8535E-08 2.3690E-08 1.7683E-08 1.4104E-08 9.3648E-09 7.0123E-09 4.6636E-09 3.4956E-09 2.7948E-09 2.3280E-09 1.7454E-09 1.3957E-09 9.3008E-10 6.9746E-10 4.6485E-10 3.4862E-10 2.7887E-10 2.3239E-10 1.7427E-10 1.3942E-10 9.2933E-11 6.9709E-11 4.6485E-11 3.4854E-11 2.7884E-11 2.3235E-11 1.7427E-11 1.3942E-11 PAIR PROD. CROSS SECTION (ATOMIC NUCLEUS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 1.9418E-05 3.1466E-05 6.4194E-05 1.0727E-04 1.5919E-04 2.8364E-04 4.2683E-04 4.5996E-04 5.8038E-04 8.9980E-04 1.2199E-03 1.9783E-03 2.6540E-03 3.2611E-03 3.8016E-03 4.2872E-03 4.7313E-03 5.1303E-03 5.4954E-03 5.8304E-03 6.1428E-03 6.4326E-03 6.7036E-03 6.9596E-03 7.4263E-03 7.8441E-03 8.2243E-03 8.5706E-03 8.8867E-03 9.1803E-03 9.4513E-03 1.0554E-02 1.1397E-02 1.2060E-02 1.3069E-02 1.3806E-02 1.5030E-02 1.5782E-02 1.6686E-02 1.7213E-02 1.7563E-02 1.7815E-02 1.8154E-02 1.8376E-02 1.8699E-02 1.8876E-02 1.9068E-02 1.9170E-02 1.9234E-02 1.9283E-02 1.9339E-02 1.9377E-02 1.9430E-02 1.9460E-02 1.9490E-02 1.9505E-02 1.9512E-02 1.9520E-02 1.9528E-02 1.9535E-02 PAIR PROD. CROSS SECTION (ATOMIC ELECTRONS) 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 0.0000E-01 1.1621E-07 3.4481E-06 1.2150E-05 4.9609E-05 9.8842E-05 1.5180E-04 2.0469E-04 2.5606E-04 3.0530E-04 3.5220E-04 3.9672E-04 4.3888E-04 4.7878E-04 5.1679E-04 5.5255E-04 5.8718E-04 6.5117E-04 7.0951E-04 7.6371E-04 8.1340E-04 8.5969E-04 9.0298E-04 9.4325E-04 1.1134E-03 1.2455E-03 1.3528E-03 1.5191E-03 1.6441E-03 1.8602E-03 2.0009E-03 2.1797E-03 2.2900E-03 2.3660E-03 2.4225E-03 2.5012E-03 2.5535E-03 2.6321E-03 2.6766E-03 2.7255E-03 2.7541E-03 2.7718E-03 2.7838E-03 2.8004E-03 2.8109E-03 2.8249E-03 2.8331E-03 2.8410E-03 2.8463E-03 2.8493E-03 2.8512E-03 2.8531E-03 2.8550E-03 PyMca5-5.2.2/PyMca5/PyMcaData/KShellRatesScofieldHS.dat0000644000276300001750000003771313136054446022424 0ustar solebliss00000000000000#U00 #U01 Adaptation from table II of the reference: #U02 #U03 J.H. Scofield, "Relativistic Hartree-Slater Values for #U04 K and L X-ray Emission Rates", Atomic Data and Nuclear #U05 Data Tables 14 (1964) 121 - 137 #U06 #U07 The TOTAL column is taken from the reference. The individual #U08 shells of the reference are divided by the total in order to #U09 directly get probabilities and missing values are interpolated. #U10 #S1 K x-ray emission rates #N 17 #L Z TOTAL KL1 KL2 KL3 KM1 KM2 KM3 KM4 KM5 KN1 KN2 KN3 KN45 KO23 KO45 KP23 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 1.949e-005 9.9538e-011 0.33299 0.66701 0 0 0 0 0 0 0 0 0 0 0 0 6 0.0001033 1.4521e-010 0.33398 0.66602 0 0 0 0 0 0 0 0 0 0 0 0 7 0.0003305 2.4327e-010 0.33404 0.66596 0 0 0 0 0 0 0 0 0 0 0 0 8 0.0008232 4.0816e-010 0.33431 0.66569 0 0 0 0 0 0 0 0 0 0 0 0 9 0.001758 6.6553e-010 0.33447 0.66553 0 0 0 0 0 0 0 0 0 0 0 0 10 0.00337 1.0534e-009 0.33472 0.66528 0 0 0 0 0 0 0 0 0 0 0 0 11 0.005756 1.7894e-009 0.33461 0.66539 3.1619e-011 0 0 0 0 0 0 0 0 0 0 0 12 0.00911 2.9857e-009 0.3348 0.6652 1.7673e-010 0 0 0 0 0 0 0 0 0 0 0 13 0.013824 4.8033e-009 0.33276 0.66117 4.1305e-010 0.0020327 0.0040365 0 0 0 0 0 0 0 0 0 14 0.020239 7.4607e-009 0.32956 0.65368 7.7078e-010 0.0056178 0.011147 0 0 0 0 0 0 0 0 0 15 0.028752 1.1164e-008 0.3252 0.64483 1.3077e-009 0.010048 0.019929 0 0 0 0 0 0 0 0 0 16 0.039804 1.6355e-008 0.32057 0.63486 2.0852e-009 0.014948 0.02962 0 0 0 0 0 0 0 0 0 17 0.053952 2.3354e-008 0.31547 0.62463 3.1695e-009 0.02011 0.039795 0 0 0 0 0 0 0 0 0 18 0.071682 3.2644e-008 0.31054 0.61382 4.6874e-009 0.025418 0.050222 0 0 0 0 0 0 0 0 0 19 0.093274 4.5029e-008 0.30695 0.60574 7.0759e-009 0.029311 0.058001 0 0 1.7583e-010 0 0 0 0 0 0 20 0.11939 6.1312e-008 0.30405 0.59972 1.0386e-008 0.032331 0.063908 0 0 8.1414e-010 0 0 0 0 0 0 21 0.15004 8.2644e-008 0.30325 0.59717 1.4463e-008 0.033458 0.066116 1.053e-006 1.5529e-006 1.1397e-009 0 0 0 0 0 0 22 0.18598 1.1023e-007 0.30272 0.59522 1.9841e-008 0.034305 0.067749 2.7637e-006 4.0649e-006 1.5324e-009 0 0 0 0 0 0 23 0.228 1.4473e-007 0.30219 0.59385 2.6622e-008 0.034956 0.06899 5.2192e-006 7.6753e-006 2e-009 0 0 0 0 0 0 24 0.27603 1.8875e-007 0.30251 0.59415 3.4743e-008 0.034779 0.068544 9.2745e-006 1.3549e-005 9.6368e-010 0 0 0 0 0 0 25 0.33189 2.4285e-007 0.30221 0.59086 4.61e-008 0.036006 0.070897 1.2685e-005 1.841e-005 3.2541e-009 0 0 0 0 0 0 26 0.39641 3.1029e-007 0.30171 0.59055 5.9282e-008 0.036301 0.071391 1.786e-005 2.5983e-005 4.0363e-009 0 0 0 0 0 0 27 0.46901 3.9019e-007 0.3017 0.58976 7.5692e-008 0.036631 0.071854 2.4093e-005 3.5181e-005 5.0106e-009 0 0 0 0 0 0 28 0.55147 4.896e-007 0.30137 0.58933 9.5562e-008 0.036865 0.072352 3.1552e-005 4.5877e-005 6.1109e-009 0 0 0 0 0 0 29 0.64291 6.1129e-007 0.30207 0.58951 1.1884e-007 0.036615 0.071706 4.1375e-005 5.9729e-005 2.7998e-009 0 0 0 0 0 0 30 0.74686 7.5382e-007 0.3018 0.58779 1.4862e-007 0.037316 0.072972 5.0478e-005 7.2972e-005 8.9575e-009 0 0 0 0 0 0 31 0.86417 9.2227e-007 0.30121 0.58553 1.863e-007 0.038071 0.074406 6.052e-005 8.7367e-005 1.4696e-008 0.00021709 0.00041427 0 0 0 0 32 0.99511 1.1255e-006 0.30047 0.58285 2.3012e-007 0.03879 0.075871 7.1248e-005 0.0001028 2.1204e-008 0.00063309 0.0012149 0 0 0 0 33 1.1427 1.3565e-006 0.2993 0.58023 2.8355e-007 0.039557 0.077188 8.2702e-005 0.00011911 2.923e-008 0.0012051 0.0023174 0 0 0 0 34 1.3049 1.6246e-006 0.29811 0.57706 3.4639e-007 0.04031 0.078703 9.495e-005 0.00013656 3.9083e-008 0.0019113 0.0036784 0 0 0 0 35 1.487 1.9368e-006 0.29725 0.57365 4.2166e-007 0.040956 0.079894 0.00010774 0.00015468 5.1111e-008 0.0027304 0.005259 0 0 0 0 36 1.6866 2.3004e-006 0.29585 0.57036 5.0989e-007 0.041621 0.081167 0.00012131 0.00017378 6.5811e-008 0.0036582 0.0070377 0 0 0 0 37 1.9058 2.7233e-006 0.29489 0.56721 6.1391e-007 0.042239 0.08238 0.00013574 0.00019414 8.6578e-008 0.0044023 0.0085423 0 0 0 0 38 2.1441 3.2089e-006 0.29384 0.56435 7.3692e-007 0.042909 0.083627 0.00015112 0.00021548 1.1287e-007 0.0050605 0.0098458 0 0 0 0 39 2.4048 3.7716e-006 0.29316 0.5618 8.7742e-007 0.043538 0.084789 0.00016717 0.00023786 1.4263e-007 0.0055348 0.010766 2.3786e-006 0 0 0 40 2.6879 4.4272e-006 0.29242 0.55954 1.0417e-006 0.044123 0.08594 0.00018416 0.00026154 1.7709e-007 0.0059488 0.01157 6.2502e-006 0 0 0 41 2.994 5.1437e-006 0.29192 0.55746 1.2325e-006 0.044724 0.087076 0.00020174 0.00028558 2.1577e-007 0.0062225 0.012091 1.3861e-005 0 0 0 42 3.3277 5.9801e-006 0.29149 0.55534 1.4545e-006 0.045257 0.088079 0.00021967 0.00031073 2.6265e-007 0.0065571 0.012712 2.1186e-005 0 0 0 43 3.6865 6.9171e-006 0.29106 0.55337 1.7062e-006 0.045789 0.088973 0.00023871 0.00033691 3.1737e-007 0.006871 0.013319 3.0273e-005 0 0 0 44 4.0749 8.0002e-006 0.29056 0.55142 1.9951e-006 0.046259 0.090063 0.00025841 0.00036369 3.8038e-007 0.007156 0.013865 4.1179e-005 0 0 0 45 4.4921 9.1939e-006 0.29029 0.54963 2.3152e-006 0.046749 0.090826 0.00027893 0.00039135 4.519e-007 0.007413 0.014359 5.4073e-005 0 0 0 46 4.9403 1.0566e-005 0.29006 0.54795 2.6922e-006 0.047204 0.091695 0.00029998 0.00041981 5.3236e-007 0.0076109 0.014675 7.1049e-005 0 0 0 47 5.4224 1.2098e-005 0.28972 0.54606 3.1167e-006 0.047617 0.092578 0.00032181 0.00044906 6.3071e-007 0.0078931 0.015251 8.6308e-005 0 0 0 48 5.9368 1.3829e-005 0.28955 0.54406 3.6046e-006 0.048039 0.093316 0.00034446 0.00047938 7.4619e-007 0.0082199 0.015867 0.00010224 0 0 0 49 6.4922 1.5742e-005 0.28927 0.54219 4.1434e-006 0.048366 0.093959 0.00036752 0.00050984 8.7798e-007 0.0085179 0.016481 0.00011953 0.00019901 0 0 50 7.0894 1.7872e-005 0.28874 0.54024 4.7535e-006 0.048805 0.094648 0.00039114 0.00054165 1.0283e-006 0.00883 0.017082 0.00013739 0.00056281 0 0 51 7.7262 2.0256e-005 0.28837 0.53843 5.436e-006 0.049054 0.095131 0.00041547 0.00057337 1.2011e-006 0.0091248 0.017667 0.00015622 0.0010574 0 0 52 8.3971 2.2925e-005 0.2882 0.5359 6.2165e-006 0.049422 0.095867 0.00044063 0.00060617 1.4053e-006 0.00942 0.018268 0.0001759 0.0016708 0 0 53 9.1212 2.5863e-005 0.28779 0.53392 7.0715e-006 0.049665 0.096369 0.00046595 0.00063917 1.6226e-006 0.0097027 0.018824 0.00019603 0.0023879 0 0 54 9.89 2.912e-005 0.28736 0.53185 8.0182e-006 0.04995 0.096866 0.00049242 0.00067341 1.8807e-006 0.0099697 0.019373 0.00021709 0.0032053 0 0 55 10.71 3.2678e-005 0.28664 0.53032 9.0846e-006 0.050231 0.097288 0.00051912 0.00070772 2.1661e-006 0.010233 0.019896 0.00023902 0.003884 0 0 56 11.574 3.6719e-005 0.28684 0.52789 1.0273e-005 0.050456 0.097803 0.0005469 0.00074302 2.4883e-006 0.010497 0.020433 0.00026179 0.0044754 0 0 57 12.489 4.1158e-005 0.28666 0.52608 1.1595e-005 0.050687 0.09825 0.00057573 0.00077912 2.8586e-006 0.010754 0.020947 0.00028586 0.0049165 2.2901e-006 0 58 13.438 4.6137e-005 0.28649 0.52536 1.3089e-005 0.051048 0.098896 0.00060722 0.00081781 3.2296e-006 0.01082 0.021037 0.00029914 0.0045541 0 0 59 14.457 1.003e-005 0.28706 0.52363 1.472e-005 0.051325 0.09933 0.00063776 0.00085634 3.6591e-006 0.01095 0.021305 0.00031819 0.0045653 0 0 60 15.519 5.7544e-005 0.28675 0.5226 1.6542e-005 0.051616 0.099881 0.00066952 0.0008957 4.137e-006 0.011077 0.021523 0.00033702 0.0045687 0 0 61 16.642 6.4115e-005 0.28723 0.52097 1.8568e-005 0.051857 0.10035 0.00070184 0.00093559 4.6629e-006 0.011195 0.021752 0.00035573 0.0045668 0 0 62 17.828 7.1346e-005 0.28718 0.51995 2.0753e-005 0.052108 0.10079 0.00073422 0.0009754 5.2444e-006 0.011302 0.021931 0.00037468 0.0045489 0 0 63 19.069 7.9293e-005 0.28738 0.51866 2.3232e-005 0.052338 0.10127 0.00076828 0.0010163 5.8893e-006 0.011401 0.022131 0.00039437 0.0045363 0 0 64 20.383 8.7965e-005 0.28749 0.5171 2.5904e-005 0.052544 0.10165 0.00080165 0.0010563 6.6232e-006 0.011549 0.022421 0.000418 0.0048423 2.5266e-006 0 65 21.75 9.7563e-005 0.28781 0.51632 2.8873e-005 0.052781 0.10207 0.00083724 0.0010988 7.3793e-006 0.011582 0.022437 0.00043356 0.0044965 0 0 66 23.184 0.00010805 0.28813 0.51501 3.2134e-005 0.053011 0.10248 0.00087302 0.0011409 8.2428e-006 0.011672 0.022602 0.00045376 0.0044729 0 0 67 24.703 0.00011946 0.28863 0.5137 3.5704e-005 0.053191 0.10282 0.00090878 0.0011824 9.185e-006 0.011743 0.02275 0.00047362 0.0044447 0 0 68 26.278 0.00013205 0.28883 0.5126 3.9615e-005 0.053391 0.1032 0.00094528 0.0012254 1.0225e-005 0.011835 0.022871 0.00049395 0.0044219 0 0 69 27.928 0.00014573 0.28932 0.51132 4.3935e-005 0.053567 0.10355 0.0009829 0.0012676 1.1351e-005 0.011888 0.022988 0.00051454 0.0043971 0 0 70 29.656 0.00016051 0.28965 0.51018 4.8624e-005 0.053749 0.10386 0.0010217 0.0013117 1.2611e-005 0.01197 0.023132 0.00053547 0.0043701 0 0 71 31.466 0.0001767 0.28983 0.5088 5.374e-005 0.053899 0.10424 0.0010583 0.0013538 1.4015e-005 0.012045 0.023327 0.00055997 0.0046367 2.4439e-006 0 72 33.358 0.00019455 0.29018 0.50752 5.9326e-005 0.054049 0.10432 0.0010972 0.001397 1.5558e-005 0.012141 0.023532 0.00058546 0.0048983 6.2863e-006 0 73 35.342 0.00021363 0.29031 0.5062 6.5419e-005 0.054157 0.10469 0.0011346 0.0014374 1.726e-005 0.012252 0.02374 0.00061174 0.0051554 1.1431e-005 0 74 37.396 0.00021847 0.29067 0.50487 7.2067e-005 0.054284 0.10482 0.0011739 0.0014815 1.912e-005 0.012354 0.02396 0.00063938 0.0054097 1.7916e-005 0 75 39.552 0.00025738 0.29101 0.50338 7.9388e-005 0.054383 0.10518 0.0012136 0.001522 2.1136e-005 0.012439 0.02417 0.00066722 0.0056558 2.5738e-005 0 76 41.793 0.00028186 0.29144 0.502 8.7096e-005 0.054507 0.10528 0.0012514 0.0015649 2.3377e-005 0.012538 0.024406 0.00069581 0.0058981 3.4982e-005 0 77 44.121 0.0003087 0.2917 0.50067 9.5646e-005 0.0546 0.10562 0.0012919 0.0016069 2.5838e-005 0.012647 0.024637 0.00072528 0.0060243 5.1291e-005 0 78 46.547 0.00033794 0.29218 0.49928 0.00010506 0.054676 0.1057 0.001332 0.0016478 2.8509e-005 0.01274 0.024857 0.00075408 0.006299 6.1229e-005 0 79 49.076 0.00036943 0.29261 0.4978 0.00011513 0.054752 0.10596 0.0013734 0.0016892 3.1441e-005 0.012837 0.025084 0.0007845 0.0065205 7.4986e-005 0 80 51.691 0.00040355 0.29289 0.49641 0.00012613 0.054845 0.10621 0.0014142 0.0017314 3.4648e-005 0.012923 0.025323 0.00081638 0.0067903 8.6668e-005 0 81 54.416 0.00044068 0.2933 0.49489 0.00013819 0.05491 0.1064 0.0014555 0.0017715 3.815e-005 0.013029 0.025544 0.00084718 0.0070751 9.9419e-005 6.2114e-005 82 57.258 0.00048063 0.29376 0.49338 0.00015107 0.054962 0.10654 0.0014985 0.0018128 4.1951e-005 0.013099 0.025761 0.00088023 0.0073527 0.0001123 0.00017343 83 60.2 0.00052492 0.29419 0.49186 0.00016512 0.055 0.10665 0.0015399 0.0018538 4.6097e-005 0.013189 0.02598 0.00091197 0.0076412 0.00012542 0.00032459 84 63.239 0.00057085 0.29459 0.49036 0.00018043 0.055045 0.10674 0.0015813 0.0018944 5.0601e-005 0.013267 0.026202 0.00094403 0.0079223 0.00013884 0.00051234 85 66.41 0.00062189 0.29499 0.48878 0.00019681 0.055082 0.10691 0.0016248 0.0019334 5.5564e-005 0.013341 0.026412 0.00097726 0.0081915 0.00015224 0.00073182 86 69.692 0.00067727 0.29544 0.48715 0.00021466 0.0551 0.10704 0.0016673 0.0019715 6.0839e-005 0.013416 0.026632 0.0010102 0.0084659 0.00016602 0.00098434 87 73.088 0.0007361 0.29594 0.48558 0.00023396 0.055111 0.10713 0.0017089 0.0020113 6.6769e-005 0.013491 0.026844 0.0010439 0.0087292 0.00018019 0.0011931 88 76.582 0.00080045 0.29642 0.48406 0.00025489 0.055131 0.10721 0.0017524 0.0020501 7.2994e-005 0.013554 0.027056 0.0010786 0.0089969 0.00019496 0.0013763 89 80.213 0.00087019 0.29696 0.48247 0.00027751 0.055128 0.10734 0.0017965 0.0020882 7.9913e-005 0.013614 0.027265 0.0011133 0.0092629 0.00020982 0.0015272 90 83.972 0.00094555 0.29748 0.48087 0.00030189 0.055113 0.10754 0.0018399 0.0021245 8.741e-005 0.013671 0.027473 0.0011468 0.009515 0.00022484 0.0016684 91 87.81 0.0010272 0.29814 0.47944 0.00032855 0.05513 0.10762 0.0018848 0.0021626 9.5547e-005 0.013734 0.027685 0.0011821 0.0097028 0.00023528 0.001624 92 91.782 0.0011146 0.29875 0.47798 0.00035737 0.05512 0.10776 0.0019285 0.0021998 0.00010438 0.013783 0.027881 0.001217 0.0099039 0.00024776 0.0016583 93 95.895 0.0012097 0.29939 0.47646 0.00038792 0.055102 0.10793 0.001973 0.0022358 0.00011387 0.013828 0.028083 0.0012514 0.010094 0.00026007 0.0016873 94 100.1 0.0013138 0.30011 0.47505 0.0004216 0.055088 0.108 0.0020181 0.0022718 0.00012428 0.013877 0.028293 0.0012868 0.01025 0.00027054 0.0016245 95 104.45 0.0014245 0.3008 0.47351 0.00045857 0.055057 0.10818 0.0020631 0.0023072 0.00013556 0.01391 0.028481 0.0013221 0.010426 0.00028261 0.0016438 96 108.94 0.0015449 0.30155 0.47193 0.00049754 0.055014 0.10823 0.0021076 0.0023408 0.0001477 0.013944 0.028677 0.0013568 0.010621 0.0002965 0.0017487 97 113.56 0.0016741 0.30223 0.47043 0.00053982 0.054951 0.1084 0.0021531 0.0023742 0.00016089 0.013975 0.028867 0.0013923 0.010779 0.00030822 0.001763 98 118.28 0.0018152 0.30309 0.46897 0.00058589 0.054903 0.10847 0.0021982 0.0024078 0.00017526 0.014001 0.029049 0.0014271 0.010906 0.00031873 0.0016824 99 123.16 0.0019666 0.30392 0.46736 0.00063495 0.054823 0.10864 0.0022434 0.0024359 0.00019065 0.014014 0.029239 0.0014623 0.011051 0.00033047 0.0016913 100 128.15 0.0021311 0.30472 0.46586 0.00068826 0.054749 0.1087 0.0022887 0.0024737 0.00020741 0.014031 0.029419 0.0014967 0.01119 0.00034179 0.001698 101 133.3 0.0023106 0.30555 0.46429 0.00074643 0.054651 0.10885 0.0023331 0.0024981 0.0002258 0.014036 0.029595 0.0015311 0.011328 0.00035409 0.0017029 102 138.56 0.0024971 0.30651 0.46268 0.00080903 0.054546 0.10891 0.0023816 0.002526 0.00024538 0.014037 0.02977 0.0015654 0.011453 0.00036518 0.0017068 103 143.98 0.0027087 0.30733 0.46103 0.0008765 0.054416 0.10904 0.0024239 0.0025559 0.0002667 0.014029 0.029941 0.0015995 0.011599 0.00037852 0.0018058 104 149.54 0.0029289 0.3082 0.4594 0.00094888 0.054272 0.10913 0.0024675 0.0025812 0.00028955 0.014009 0.030111 0.001633 0.011736 0.00039253 0.0019011 105 149.54 0.0029289 0.3082 0.4594 0.00094888 0.054272 0.10913 0.0024675 0.0025812 0.00028955 0.014009 0.030111 0.001633 0.011736 0.00039253 0.0019011 106 149.54 0.0029289 0.3082 0.4594 0.00094888 0.054272 0.10913 0.0024675 0.0025812 0.00028955 0.014009 0.030111 0.001633 0.011736 0.00039253 0.0019011 107 149.54 0.0029289 0.3082 0.4594 0.00094888 0.054272 0.10913 0.0024675 0.0025812 0.00028955 0.014009 0.030111 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XLD/XMCD Analysis HOWTO

Contents


1. Usage
2. Description
   2.1 Top row
   2.2 Options window
      2.2.1 Normalization
      2.2.2 Interpolation
      2.2.3 Motor selection
   2.3 Table
   2.4 Analysis window
3. Extend the automatic assignment
   3.1 Edit the experiments dictionary
   3.2 Edit the drop down menu
   3.3 Edit the selectExperiment function

Synopsis

Xray linear dichroism (XLD) and Xray magnetic circular dichroism (XMCD) measurements as performed at Beamlines ID08 and ID12 of the ESRF probe the sample with x-rays of two different polarizations. From two spectra with different polarizations, one calculates the difference spectrum (the XLD/XMCD spectrum) as well as the average spectrum (XAS spectrum). The present plug-in aims to ease the evaluation process.

To assign the recorded spectra into two groups (labeled 'A' and 'B') depending on their polarization, the plug-in displays meta data obtained from the spec file and provides methods to automate the assignment process. A separate plot window allows a preview on calculated XLD/XMCD spectra. Several options relevant to the treatment of the data can be specified and saved. The results of an analysis can be exported into spec-files.

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1. Usage

From the open spec-File, select the relevant scans in the scan selection window on the left side of your PyMca session. Assign the relevant counters to the respective axes and load the scans in the plot window on the right. Load the plug-in from the plug-in menu (gearbox item in the top row of the plot window). Notice that if one selects a section of the data by zooming in before starting the plug-in, only the data within that energy range is used for the analysis.

The selected spectra now appears in the table of the plug-in. Per default, the spectra remain unassigned as indicated by the drop down menu showing the entry 'Generic dichroism'. Either one selects an existing experiment from the drop down menu (which also provides automatic division of spectra into groups) or does all settings by hand using the options menu. The options menu also allows to determine if and when a normalization is applied to the spectra and the specifics of the interpolation carried out during the calculation.
If all necessary information is displayed in the table, the assignment of spectra to either group 'A' or 'B' can be done by right-clicking on the table. A context menu appears offering several ways to assign a selected spectrum a group.

Once a selection is made, the result of calculations is displayed immediately in the analysis window. An average is calculated on the spectra that belong to groups 'A' and 'B' (curves labeled avg_A resp. avg_B). The difference spectrum (curve labeled XMCD) is calculated as Avg(B)- Avg(A). The XAS spectrum is calculated as the average of both groups: (Avg(A) + Avg(B))/2
The finished analysis can be saved in a spec file using the Save Button in the top button row of the analysis window.

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2. Description

The plug-in consists of four elements: the top row of buttons, the table listing the spectra and the analysis window. Another important element is the options window.

2.1 Top row

The top row contains the following buttons in order from left to right: the Update Button, the Options Button and the Experiment Selection.
Update Button
Loads plots from the main window of the PyMca session into the plug-in. Notice: If the plot window of the main application is zoomed in or out, only the data within the zoomed in energy range is considered for analysis. After zooming in or out in the main application, the spectra in the plug-in should be updated.
Options Button
Allows to specify the plug-in behavior during the analysis. For information in can be found in section 2.2.
Experiment Selection:
The options for the experiments carried out at beamlines ID08 and ID12 are embedded in the plug-in. Selecting one of the experiments sets these options and divides the spectra automatically into groups 'A' and 'B'. A new experimental configuration can be added using the 'Add new configuration' option. A window will open and ask the user to name the configuration. Once accepted, an option window is opened and can be used to define the experimental configuration. This can be done by either loading an existing configuration or by specifying it by hand. The new experimental configuration can now be selected in the drop down menu and remains there until the end of the PyMca session. It sets all options as specified, however the spectra assignment into groups has still to be done by hand.

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2.2 Options Window

With the Options Window, the user can control the details of the analysis and determine the information shown in the table. A configuration made in the Options Window can be saved and an existing configuration can be loaded. Notice that once the 'OK' button is clicked, the analysis is immediately recalculated.

The saved options are stored in a config file. If the result of a XLD/XMCD analysis is saved a spec file, the current configuration is automatically saved in a separate file.

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2.2.1 Normalization

One can select if and when a normalization is applied, the normalization method can be specified. Either no normalization is applied at all or it is applied before performing the averages over groups 'A' and 'B'. The third option is to perform the normalization after averaging over both groups.

The following table explains the various normalization methods in detail.
Option Explanation
(y-min(y))
/trapz(max(y)-min(y),x)
Default selection. Subtracts the minimum value as offset from the spectrum and normalizes it to its integral
y/max(y) Normalizes the curve to its maximum value
(y-min(y))
/(max(y)-min(y))
Subtracts the minimum value as offset from the spectrum and normalizes to the resulting maximum, effectively putting all spectral values between zero and one
(y-min(y))
/sum(max(y)-min(y))
Similar to the default options, but uses the summation over all spectral values instead of the integral

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2.2.2 Interpolation

The plug-in performs an interpolation of the spectra selected to be used in the analysis before calculation averages and differences. In the "Interpolation x-range" section the user can select, which energy range is used for interpolation. To guarantee numerical stability of the interpolation, the spectra are cleaned up before being copied from the main application to the plug-in. The clean up process consists of sorting the data with respect to the energy (i.e. x) range as well as removing energies that have been measured twice.

One can chose between selecting one of the energy ranges that actually have been measured or let the plug-in determine a equidistant energy range, which might be beneficial for further analysis such as Savitzky-Golay smoothing. Options that conserve at least one measured energy range are 'First curve in sequence' or 'Active curve' (i.e. taking the active curve in the plot window of the main application).

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2.2.3 Motor Selection

The drop down menus allow to select the motors positions to be shown in the plug-in table. Notice that all motors in the drop down menu are not hard coded in the plug-in but are obtained dynamically from meta data in the spec file. Motor names are treated case sensitive by the plug-in.
Motors for ID08 are:
phaseD, PhaseD, oxPS, magnet
Motors for ID12 are:
Phase, PhaseA, BRUKER, CRYO, OXFORD
Notice that ID12 also uses different counters to differ between polarizations.

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2.3 Table

The table, positioned beneath the top row, shows the spectra that are included in the XLD/XMCD analysis. The table shows the group to which a curve is assigned, the curves' legend, the scan number and the counter of a spectrum. The remaining columns display settings of various physical or virtual motors that were recorded during the course of the measurement and stored in the meta data of the spec file. Every column of the table can be used to sort it with respect to the values in this column by double clicking the right top corner of the respective header section.

Right click on the table provides the user with a context menu with the following options:
Perform Analysis
Although most calculation is triggered automatically upon selection of a set of scans, selecting this option forces the plug-in to recalculate the XLD/XMCD spectrum.
Set as A resp. Set as B
Assigns a scan selected in the table to the respective group and triggers a recalculation of the XLD/XMCD Analysis.
Enter sequence
Opens a window and allows to enter a sequence of letters ('A', 'B', 'D'). The spectra in the table are sorted after their scan number and assigned into groups 'A' and 'B' based on the sequence, 'D' leaves a spectrum unselected. If no scan number is present, the spectra remain unsorted. The length of the sequence does not need to match the number of spectra. If the length of the sequence is smaller than the number of spectra, the plug-in assumes the entered sequence as a pattern and repeats it.
Remove selection
Removes a scan from the selection, effectively setting its group to 'D'
Invert selection
Selects scans in the table that are not selected yet and deselects the selected scans.
Remove curves
Removes curves from the table and the plot window in the main application.

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2.4 Analysis Window

The analysis window beneath the table shows the result of the XLD/XMCD analysis. Four curves are displayed: the arithmetic averages over groups A and B, the XAS spectrum (an arithmetic average over the averages of groups A and B) and the difference spectrum (group B - group A) called the XMCD spectrum.

Notice that the XMCD spectrum usually is not in the same order of magnitude as the average spectra and the XAS spectrum. Thus, the XMCD spectrum is plotted to the secondary y axis on the right. In order to hide individual spectra, one can right-click on the legend and select 'Hide curve'.

In the analysis window behaves exactly like the plot window of the main application. The plot can be zoomed and the spectra can be manipulated using the usual tools of PyMca. Only the save routine has been modified to the specific demands of XLD/XMCD analysis.
Save routine
The save icon in the analysis window allows the users to save all results of the XLD/XMCD analysis at once in a single spec file. The data is divided into multiple columns. The first column contains the energy range over which the analysis is carried out, followed by the averages over groups 'A' and 'B'. The last two columns are occupied by the XLD/XMCD spectra.
The save dialog also allows to enter a comment that will be written in the spec file. If multiple datasets are analyzed consecutively, the results can be still saved in a single spec file by selecting the 'Append to existing file' option. Every individual scan is saved in a separate file, too. Therefore, the original file name is extended by an underscore and the number of scans already present in the file to which the analysis is appended to.
Along with the data, the configuration from the options menu is also saved under the same file name, but with the extension 'cfg'.
Buttons Add, Add all, Replace and Replace All
Allow to push the resulting spectra from the plug-in window to the plot window of the main application. While 'Add' and 'Replace' only affect the active curve in the plug-in plot window, 'Add all' and 'Replace all' copy all curves from the analysis to the main application. Notice: If one plans to compare two or more analyzed spectra by consecutively pushing them to the main window, the spectra should be renamed beforehand. The name for each analyzed spectrum remains the same (avg_A, avg_B, XMCD, XAS) and moving spectra of the same name to the plot window in the main application just replaces them there.

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3. Extend the automatic assignment

The scope of this paragraph is to explain the additions to the source code necessary to make to define a new experiment. The paragraph assumes entry level knowledge of the Python programming language.

Data measured on beamline ID08 or ID12 of the ESRF can automatically be assigned to one of groups 'A' or 'B', as long as it is saved in spec files. By selecting one of the experiments from the drop down menu in the top row, the XLD/XMCD plug-in sets the motors resp. counters controlling the polarization in the options menu. This displays the respective values in the plug-ins table. To achieve the automatic assignment, the plug-in reads the displayed values and guesses the affiliation of a spectrum based on a set of rules.

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3.1 Edit the experiments dictionary

The experiments dictionary contains the settings specific to an experiments. The options concern the normalization settings and method, the interpolation settings and most importantly the motors on which the assignment depends.

The following code fragment shows the exemplary entry 'Generic Dichroism' in the experiments dictionary.
self.experimentsDict = {
    'Generic Dichroism': {
          'xrange': 0,
          'normalization': 0,
          'normalizationMethod': 'offsetAndArea',
          'motor0': '',
          'motor1': '',
          'motor2': '',
          'motor3': '',
          'motor4': ''
    },
    ...
}
Notice that every experiment is represented by a dictionary itself, with the different options as keys and the respective settings as values. Valid values for each option, as well as the necessary types are shown in the following table.
Option Type Values: Explanation
xrange Int 0: First curve in sequence
1: Active curve
2: Equidistant x-range
normalization Int 0: No normalization
1: Normalize after average
2: Normalize before average
normalizationMethod String OffsetAndArea: Subtracts minimum and normalizes to the integral, OffsetAndCounts: Subtracts minimum and normalizes to the sum, OffsetAndMaximum: Subtracts minimum and normalizes to the maximum NormToMaximum: Normalizes to the maximum
motor0,
motor1,
motor2,
motor3,
motor4
String Assumes knowledge of the motor settings in the experimental apparatus. If unsure, consult the Motor Info plug-in or a Beamline Scientist.
Notice that up to five motors can be specified, however no motor must be specified. If a motor is not needed, just set the variable to an empty string.

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3.2 Edit the drop down menu

Now that a new experiment is present in the experiments dictionary, it can be added into the selection of the drop down menu. The drop down menu itself is a QComboBox whose items are added using the addItem member function. The explicit code to do so (at least in the initial version of this program) looks as follows:
self.expCBox.addItems(
    ['Generic Dichroism',
    'ID08: XLD 9 Tesla Magnet',
    'ID08: XLD 5 Tesla Magnet',
    'ID08: XMCD 9 Tesla Magnet',
    'ID08: XMCD 5 Tesla Magnet',
    'ID12: XLD (quater wave plate)',
    'ID12: XMCD (Flipper)',
    'ID12: XMCD',
    'Add new configuration'])
It is important, that the registered string is the exact key of the experiment in the experiments dictionary. New experiments should be added above the 'Add new configuration' option.
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3.3 Edit the selectExperiment function

The selectExperiment function is called every time a item from the drop down menu is selected. In the process, the selected option is passed on to the function as a string. Based on this string, the function then sets the options as defined in the experiments dictionary. This triggers the table of the plug-in to display the information, especially if motors are present in the options.

In a second step, the function reads all values shown in the tables motor columns (that is columns 4 to 8). If needed (as in case of two of the ID12 experiments), the counter column (no. 3) might as well be read out. The code fragment below shows the updating of the table and the readout.
self.updateTree()
values0 = numpy.array(
    self.list.getColumn(4, convertType=float))
values1 = numpy.array(
    self.list.getColumn(5, convertType=float))
values2 = numpy.array(
    self.list.getColumn(6, convertType=float))
values3 = numpy.array(
    self.list.getColumn(7, convertType=float))
values4 = numpy.array(
    self.list.getColumn(8, convertType=float))
The table function getColumn returns the entries of a table column as a list while conserving the current order of the table rows. The type of the list elements can be specified using the convertType option. The numpy Arrays values0 to values4 now contain different motor positions, each values array has the length of the number of scans in question

The next section consists of a succession of if/else statements to determine the specific experiment. Within such a statement, the values from the table are reduced to a single vector named 'values' that determines the affiliation of a spectrum to groups 'A' or 'B'. This array contains numerical values for every spectrum. The second step here is to set a pivot element (or threshold value), so that if the value for a spectrum is above this value, the spectrum belongs to group 'A' and below to group 'B'. New assignment routines must be implemented here as a new elif block.

In case of the XLD experiment of ID08, the decision process is shown in the code fragment below.
if exp.startswith('ID08: XLD'):
    values = values0
    mask = numpy.where(numpy.isfinite(values))[0]
    minmax = values.take(mask)
    if len(minmax):
        vmin = minmax.min()
        vmax = minmax.max()
        vpivot = .5 * (vmax + vmin)
    else:
        values = numpy.array(
            [float('NaN')]*numOfSpectra)
In this case, the motor 'PhaseD' (or 'phaseD', depending on the magnet) determines the polarization on the sample and is thus set in the options dictionary. All motor positions are then contained in numpy array 'values0'. Since no further calculations are needed, we can directly assign 'values0' to 'values'. The pivot element in this case is calculated as the average between maximal and minimal values in 'values'.

The last step of the assignment processes is to loop though the 'values' array and check if the element is above or below threshold, as shown in the next code fragement.
seq = ''
for x in values:
    if str(x) == 'nan':
        seq += 'D'
    elif x>vpivot:
        seq += 'A'
    else:
        seq += 'B'
self.list.setSelectionToSequence(seq)
Notice that not-a-number float values in the 'values' array are set to the dummy identifier 'D' and thus are ignored in the selection. The resulting sequence of this procedure is then passed on to the table function setToSequence, which assigns the selection. Once a selection is made, a recalculation is triggered automatically.

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Data Display HOWTOs

HOWTO - Display data from SPEC
HOWTO - Display data from Specfile format files
HOWTO - Display data from EDF files
HOWTO - Display data from raw ASCII files
HOWTO - Display data from HFD5 files

Display SPEC data

PyMCA can display SPEC shared memory arrays.
Just select File-Open-SPS and select the name of the SPEC session you're interested on. Then select the array to display and the columns or rows to be displayed. You can also do that selecting the SPS tab of the source selection widget.
 

Display Specfile format data

Select File-Open-Specfile (or select the Specfile tab of the source selection widget) and browse your directories for the desired file. A list of scans will be presented showing the number of points and the number of MCAs in each of them. To select a scan just click on it. If it contains just one MCA you can then click the ADD button to add that MCA to the MCA graphics window. If it contains several MCA you will have to select the MCA tab and select the different MCAs to be plotted (click, CTRL-Click and Shift-Click supported) then click on ADD, REMOVE, REPLACE depending on the desired operation. Specfile SCAN data can be shown on the SCAN window. To do so, select the SCAN tab, select the x counter, the y(s) counters and click ADD.
 

Display ESRF Data Format (EDF) Files

Select File-Open-Edffile (or select the Edffile tab of the source selection widget) and browse your directories for the desired file. The first image of the file will be presented. Horizontal or Vertical selections can be made either a) clicking on the image or b) selecting the appropriate row or column on the bottom combo selection boxes and clicking the ADD, REMOVE, REPLACE buttons.

Multiple image EDF files are supported. Just select the appropriate image in the combo box.

Display Raw ASCII data

Single MCA raw ASCII data are handled in the same way as Specfile format files. Please refer to the Display Specfile information.

Display HDF5 file data

A simple analogy of an HDF5 file is that of the file system on a hard disk. A hard disk can contain files that can be into folders that in turn may contain other folders. An HDF5 file contains datasets (your data) that can be arranged into groups that in turn may contain other groups. The analogy goes till the point that you can create links between datasets or groups and that to access a dataset or a group you have to provide the path to it.

Obviously, from a graphical user interface point of view, the logical access to an HDF5 should be provided by something similar to a file browser. The HDF5 file browser used in PyMca is based on a contribution by Darren Dale.

The data in an HDF5 file provide information about their size and type but they do not provide information about what they represent. Therefore, the approach followed by PyMca to properly visualize the data is cumbersome (at least when used for first time) but simple. The approach is based on creating a selection table with the datasets of interest. This can be achieved by double clicking the relevant datasets or via a right-button mouse click. The nice feature is that the table provides a context menu (right-button mouse click) allowing the user to save or load selection tables therefore reducing the need to repetitively browse the file. In addition, the selection table is saved among the PyMca settings (File Menu -> Save ->PyMca Configuration or File Menu -> Save Default Settings).

Once the datasets of user interest are in the table, he can select what datasets are to be used as axes (first table column containing checkboxes), as signals (second column containing checkboxes) and eventually as monitor (third column with checkboxes). The only selection that is mandatory to generate a plot is the one corresponding to the signal. In case of selection of several axes, the order in which the check boxes were selected determines the dataset to be used as first, second or third axis. For a simple 1D plot, one would select the dataset to be used as abscissas under "Axes" and the dataset to be used as ordinates as "Signal".

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MCA HOWTOs

HOWTO - Display MCA spectra in energy instead of channels 
HOWTO - Calibrate MCA spectra 
HOWTO - Define a ROI 
HOWTO - Fit MCA Spectra 
HOWTO - Simple fit 
HOWTO - Advanced fit 


Display MCA spectra in energy instead of channels 



At the calibration combo box below the Mca graphics window, select Internal. If the spectra in the graphics window have an energy calibration associated (either they were already calibrated or they have been calibrated by PyMca), each spectrum will be shown with its corresponding calibration. 

The default options of the calibration combo box are: 
None - Spectra are shown against channel number. 
Original - Each spectrum is shown with the energy calibration it came with. 
Internal - Each spectrum is shown with the energy calibration it came with unless it has been recalibrated in PyMca. 

Other options will be present in case the user has previously decided to perform an energy calibration. Selecting any of these non default options will plot all the spectra with the same selected energy calibration. 

Calibrate MCA spectra 


Select the spectrum to calibrate by clicking on its legend. 
Click on calibrate. 
If you want to enter a calibration by hand or to copy a calibration from other curve, click edit. The rest should be more or less self-explanatory. 
If you want to calculate a new calibration from the data themselves, click compute. You will be presented a new graph window with the selected spectrum. 
The program offers to you the possibility to search automatically for peaks (you should give an estimation of the FWHM of the peaks) or to enter a peak with the mouse by selecting the manual search icon. 
Found or entered peaks will be denoted by vertical markers on the graph. To enter the associated energy to that peak just click on the marker. Do that for all the peaks you would like to use. 
Once you have finished click OK to validate the calibration or Cancel to disregard it. Back to the main application, select the appropriate option in the calibration combo box. 

Define a ROI 


A table of Regions of Interest (ROIs) may be seen below the MCA graph. A default ROI named ICR is always present. 
The Raw counts contains the total counts between the markers. 
The Net counts contains the Raw counts minus the counts under an imaginary background line going from the spectrum point at the beginning of the ROI to the spectrum point at the ending of the ROI. To define a new ROI just click the "ADD ROI" button and move the blue markers (click and move) to the appropriate position(s). 

Fit MCA Spectra 


Select the spectrum to be fitted by clicking on its legend. 
Select the region to be fitted by zooming with the mouse. 
Click on the Fit Icon. Select "Simple" or "Advanced" depending on the type of fit to be performed. 

Simple Fit 


PyMca automatically searches for peaks in the spectrum, divides the spectrum in several regions depending on the separation among peaks and on the FWHM specified in the configuration and presents all the results in a table. 
Peaks for which the calculated area presents potential problems are underlined in red. 
WARNING:
If you are interested on the peak areas, the fit has to be made with the calibration set to None. If not, the calculated areas need to be divided by the value shown besides B: of the used energy calibration in order to get the actual areas. 
If you are interested on peak FWHM in energy, the fit has to be made with the calibration set to an option different from None. 

Advanced Fit 


This is PyMca main reason of being. The initial goal of PyMca was to supply an interactive tool to set up the configuration file of a program for batch fitting of multiple spectra. 

The expected procedure is: 
- select an active curve 
- calibrate it if not already calibrated 
- select internal calibration 
- zoom to the desired fitting region 
- click fit icon 
- select advanced 
- configure 
- fit 

The "Configure" button opens a dialog box with several tabs. 
The FIT tab allows to specify convergence criteria. 
The PEAKS tab allows the user to select the elements and lines (K, L1, L2, L3) to be considered. Elements with selected lines are shown in yellow. 
The PEAKS SHAPE allows fine tuning of the HYPERMET function describing the peaks. 
The ATTENUATORS tab allows to take into account absorbers that could modify the peak ratios of the elements as seen by the detector. 

It is convenient to SAVE the final configuration in a file for using it in other session or in batch mode. 

The "Tools" button shows a popup menu offering to print the table or to generate a detailed HTML report. The report can be visualized by any web browser. 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Alignment plug-in Documentation

Contents


1. Usage and Description
2. Methods used by the plug-in

Synopsis

Due to uncertainties in the experimental set-up, recorded data might be shifted unrelated to physical effects probed in the experiment. The present plug-in calculates this shift and corrects the data using a variety of different methods.

1. Usage and Description

Data that is subject to a shift must be loaded into the plot window of the main application. The plug-in offers two ways to treat the data: a shortcut options called 'Perform FFT Shift' calculates the shift and directly corrects the data and the 'Show Alignment Window' option showing a window that allows for specification of the shift and alignment methods as well as offering the possibility to safe calculated shifts respectively load previously calculated shifts from a file. It is also possible to enter shift values by hand.

Once the Alignment Window is opened, the alignment method and the shift method must be specified. The alignment method specifies how the shift is calculated while the shift method determines how the shift is applied to the data.

The table shows three columns: The first one shows the plot legend of the data that will be corrected by the shift method. The second column shows the plot legend from which the shift is calculated. The third column shows the shift values calculated by the alignment method in units of the plot windows x-axis. While columns one and two can not be edited, shift values can be entered by hand. Another way of setting the shift values is to load them from a existing *.shift file using the Load button.

Once the shift values are set, they can either be directly applied to the data present in the plot window using the Apply button or the data can be stored in memory. The latter options allow to use a reference signal recorded during the experiment to determine the shift and then apply the shift values to a different set of data.

Notice: In order to match different sets of data to another, as necessary in the case of a reference signal, the order in which the data is added to the plot window is crucial. If one switches between two sets of data where one set aligns the other one it is highly encouraged to consult the table in the Alignment window to check if every element in the two different sets of data is assigned to its correct counterpart before applying the shift.

If the data in the plot window is zoomed in to a distinct feature, only of the data is used to calculate the shift.

up

1. Usage and Description

Alignment methods are used to calculate the shift. Present methods include FFT, MAX, FIT and FIT DRV.
FFT
Uses the Fourier Transform of the curves to calculated their cross-correlation. The maximum of the correlation is determined and yields the shift value. This method is the default option, since it is not affected by the peak shape, fast and numerically robust. Notice: the shifts are given in real space values.
MAX
Determines the maximum of each curve, the shift is given by its the differences in the x-position of the maxima. Notice that this method is highly vulnerable to noise in the data and spikes.
FIT
Method subtracts a background from the data using the SNIP algorithm (c.f. plug-in section, Background subtraction tools) and searches for peaks in the data. For every curve, the single most pronounced feature is selected. The peak is fitted by a Gaussian model, the shifts are then given by differences in the x-offsets of the fitted Gaussians.
FIT
Uses the same procedure as the FIT method, however the fit is applied to the first derivative of the data. This method only recommended for X-ray absorption data.
Shift methods are used to apply the calculated shift to the data. Present methods include 'Shift x-range' and 'Inverse FFT shift'.
Shift x-range
This method takes the x-range of the respective curve and adds the calculated shift value to every point.
Inverse FFT shift
Takes the Fourier Transform of a curve and multiplies the shift as a phase factor. The multiplication of a phase factor in Fourier space translates to a shift in the x-range in real space. The shifted data is given by the inverse Fourier transform. Notice: In the process, the data needs to have a equidistant x-range. If this is not the case, the data will be interpolated on a equidistant x-range. Due to the cyclic nature of the Fourier transform, this method is recommended for data that has linear background.

up PyMca5-5.2.2/PyMca5/PyMcaData/HTML/Menu.html0000644000276300001750000000305213136054446020170 0ustar solebliss00000000000000

Main Menu

File
Mca Tools
Window
Help

File

Open - Offers the user to select the source of input data: Specfile, EDF file or SPEC shared memory.
Save - Not yet implemented.
Save as - Not yet implemented.
Print - Prints the graphics window.
Quit - Closes the application.

Mca Tools

Hide Source - Hides the source selection widget allowing the use of a larger graphics display.
Show Source - Shows a previously hidden source selection widget.
Elements Info - Shows a periodic table to get X-ray properties of the elements.
Identify Peaks - Shows table of Elements with emission lines close to a given energy.
Batch fitting - Calls the batch fitting tool.
PyMCA Post-batch - Calls a visual correlator. Only available under PyQt4.
ROI Imaging - Opens a stack of to perform ROI imaging. It needs PyQwt5.

Window

Allows customization of the way the MCA and SCAN windows are presented. By default the SCAN window is hidden.
 

Help

Main Menu - You already know, don't you?
Data Display HOWTO - Data display related information.
MCA HOWTO - Common MCA operations information.
About - Shows the PyMca version.
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PyMCA X-Ray Spectrum Analysis in Python

V. A. Sol and E. Papillon.

European Syncrothon Radiation Facility (ESRF), 38043 Grenoble Cedex.

 

1. Introduction

 

Up to date most, if not all, spectrum fitting for X-ray fluorescence measurements at the ESRF (ID13, ID18F, ID21, ID22) has been performed using externally supplied software (generally based on the AXIL software developed at the University of Antwerp, Belgium). Whilst this software is fairly robust and reliable, we have very little influence over its development and consequently its direct integration into our control system and subsequent data analysis routines is not straightforward. A further limitation is that we can not distribute that software to our user community.

 

A versatile non-linear least-squares fitting application had been already developed as part of the tools of the BLISS group at the ESRF and had been used among others by the NewPlot visualization package. That fitting application, based on the Levenberg-Marquardt algorithm, is implemented entirely in Python, thus ensuring a high level of platform compatibility and straightforward integration with the ESRF control system. The logical step to follow was to write a dedicated function to describe the x-ray fluorescence spectra and feed that function to the fitting module.

 

The need to have an easy way to setup the configuration parameters of the fit, led to the development of a complete visualization and data analysis tool, PyMCA, that relies on Qt and Qwt to build its graphical interface and plotting routines. Nevertheless, the fitting code can run in prompt/batch mode fully independent of any graphical package, and its output file, can be used by other python module (also GUI independent) to automatically generate a fully detailed HTML report that can be visualized by any browser.

 

2. Algorithms

2.1 Continuum/background Models

 

The continuum is modeled in two possible ways: estimation or fitting. In the former the estimated background is subtracted from the experimental data prior to the least-squares fitting of the fluorescence peaks. In the fitting mode the continuum is described by an analytical function which enters into the least-squares fitting algorithm.

 

For the time being PyMCA implements one of each of the models. Background can be estimated thru an iterative smoothing procedure in which the content of each channel is compared against the average of the content of its neighbours at a distance of i channels. If the content is above the average, it is replaced by the average. In order to speed up the procedure, i can be taken as a fraction of the peaks full-width-half-maximum (FWHM) at the beginning of the iterative process, being one at the end of it. The only analytical function currently supported to describe the background is a linear polynomial that can also be used in conjunction with the stripping procedure.

 

2.2 Peak Shape Model

 

The following is drawn primarily from a description of Least-Squares fitting of XRF spectra in [1]

 

The response function of most solid-state detectors is predominantly Gaussian. In certain instances it may be necessary to resort to more complicated models such as Voigt or Hypermet [2] functions.

 

A Gaussian peak is characterized by three parameters: the position, width, and height or area. It is desirable to describe the peak in terms of its area rather than its height because the area is directly related to the number of x-ray photons detected, while the height depends on the spectrometer resolution. The first approximation to the profile of a single peak is then given by:

(1)

 

where A is the peak area (counts ), s the width of the Gaussian expressed in channels and x0 the location of the peak maximum. The FWHM is related to s by FWHM = 2.355 s.

 

In Equation (1) the peak area is a linear parameter; the width and position are non-linear parameters. This implies that a nonlinear least-squares procedure is required to find optimum values for the latter two parameters. Linear least-squares fitting method can be used assuming the position and width of the peak are know with high accuracy from calibration.

 

To describe part of a measured spectrum, the fitting function must contain a number of such functions, one for each peak. For 10 elements and 2 peaks (Ka and Kb) per element we would need to optimize 60 parameters. It is highly unlikely that such a nonlinear least-squares fit will terminate successfully at the global minimum. To overcome this problem the fitting function can be written in a different way as shown in the next paragraph.

 

2.3 FWHM and Position of peaks

 

The first step is to abandon the idea of optimizing peak and position of all peaks independently. The energies of the X-ray fluorescence lines are typically known with an accuracy of l eV or better. The pattern of peaks observed in the spectrum is directly related to the elements present in the sample.

 

Based on these elements we can predict all of the X-ray lines that constitute the spectrum and their energies. The peak fitting function is therefore written in terms of energy rather than channel number.

 

Defining ZERO as the energy of channel 0 and expressing the spectrum GAIN in eV/channel, the energy of channel i is given by:

 

(2)

 

and the normalized Gaussian peak can be written as:

 

(3)

 

with Ej the energy (in eV) of the x-ray line and s the peak width given by:

 

 

(4)

 

 

In this equation NOISE is the electronic contribution to the peak width (typical 80-100 eV FWHM) with the factor 2.3548 to convert to s units, FANO is the Fano factor (~0.114) and 3.85 the energy required to produce an electron-hole pair in silicon.

 

The least squares fit optimizes ZERO, GAIN, NOISE and FANO for the entire spectrum (fitting region), thus for all peaks simultaneously. One can, after the fit, calculate the position of the peak (using eq. 2) and the width of the peak using eq. 4. (s in sigma of the peak in eV!!!), convert to channels via the factor GAIN and to FWHM via the factor 2.3548.

 

2.4 Element Line Groups

 

A further simplification that can be applied to reduce the number of fitting parameters is to model entire elements rather than single peaks. Some lines can be considered as being grouped together such as the Ka1, Ka2 doublets or even all K lines of an element. A single area parameter A representing the total number of counts in the line group can then be fitted.

 

The spectrum of an element can then be represented by:

 

(5)

 

where G are the Gaussians for the various lines with energy Ej and Rj the relative intensities of the lines. The summation runs over all lines in the group (Np ) with SRj=1. The transition probabilities of all lines originating from a vacancy in the same (sub-)shell (K, LI , LII ...) are constants, independent of the excitation. However, the relative intensities depend on the absorption in the sample and in the detector windows. To take this into account, the x-ray attenuation must be included in Equation (5). The relative intensity ratios are obtained by multiplying the transition probabilities with an absorption correction term:

 

(6)

 

The absorption correction term Ta (E), used in the equation (6) includes the x-ray attenuation in all layers and windows between the sample surface and the active area of the detector.

 

2.5 Sum and Escape Peaks

 

The escape fraction f is defined as the number of counts in the escape peak Ne divided by the number of detected counts (escape + parent). Assuming normal incidence to the detector and escape only from the front surface, the following formula can be derived for the escape fraction (Reed S.J.B., Ware N.G., .J. Phys. E 5 (1972) 582)

 

(7)

 

where mI and mK are the mass attenuation coefficients of silicon for the impinging and the Si K x-ray fluorescence radiation respectively.; wK is the K-shell fluorescence yield and r the K-shell jump ratio of silicon. The calculated escape fraction is in very good agreement with the experimentally determined values for impinging photons up to 15keV. The area, relative to the area of the parent peak can be calculated from the escape fraction:

 

(8)

 

Si escape peaks can be modeled by a Gaussian at energy 1.742 keV below the parent peak. Including the escape peaks, the description of the fluorescence of element becomes

 

(9)

 

where G represents the Gaussian fitting function and Nesc the energy of the escaped photon.

 

So they are not fitted as truly independent peak, but they are part of the multiplet. For spectra obtained with a Ge detector one needs to account in a similar way for both the Ge-Ka and the Ge-Kb escape peaks for elements above arsenic.

 

Summing correction is performed by using a very intuitive approach. Since any of the peaks can be detected simultaneously with any of the other peaks, one can calculate the summing contribution of channel i, simply shifting the whole calculated spectrum by i channels and multiplying it by the calculated content of the channel times a fitted parameter. This is then repeated for all the points of the spectrum. The physical meaning of that parameter, for a time acquisition of one second, could be interpreted as the minimum time, measured in seconds, needed by the acquisition system to distinguish two photons individually and not consider them as simultaneous.

 

3. Conclusion

 

Despite being at its early stages, PyMca and its fitting engine already implement most of the needs of x-ray fluorescence spectroscopy. It is fast (~1 second per complex spectrum with < 1 GHz processors), portable (it already runs on Solaris, Linux and Windows) and can be freely distributed. Current developments are focused on the implementation of alternative continuum algorithms.

 

References

 

[1] R.E. Van Grieken, A.A. Markowicz. Handbook of X-ray Spectrometry, Chapter 4: Spectrum Evaluation, Ed. Marcel Dekker, New York 1993.

 

[2] G.W. Phillips and K.W. Marlow, NIM 137 (1976) 525 536.

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Sum Rules Tool Documentation

Contents


1. Usage
2. Theory
3. Keyboard Shortcuts

Synopsis

The present tool serves the purpose to evaluate XMCD data according to a 1995 paper of Chen et. al. (Phys. Rev. Lett. 75, 152 (1995) and a 2009 paper of Krishnamurthy et al. (Phys. Rev. B, 79(1), 014426), c.f. Theory). To apply it, the user has to contribute a x-ray magnetic circular dichroism (XMCD) spectrum as well as a x-ray absorption spectrum of a sample.

The tool offers a graphical user interface that allows data preprocessing, background subtraction and integration of the data in an interactive manner. Results can be exported in the usual *.spec file format.

1. Usage

Open a *.spec data file by selecting 'File -> Open Spec File'. A Dialog opens displaying the file system on the left hand side and two selection frames on the right. Once a *.spec file is selected, the top right frame shows the scans in the file. Notice that the scan also can be an analysis file with the analyzed data divided into scans. If you used the XLD/XMCD Plugin of PyMca, the typical analysis file includes one or more scans that correspond to each analysis stored in the file. Once a scan has been selected, the bottom frame on the left shows the counters. One must define the counters used as x-axis as well as the XAS counter resp. the XMCD counter.

Once the selection is done, the program has the information required to perform the analysis. Click "Open" to load the data. The empty plot window in the top part of the application typically shows the XMCD spectrum in blue and the XAS spectrum in red. The bottom part of the window contains three tabs titled 'ELEMENT', 'BACKGROUND' and 'INTEGRATION'.

The analysis starts by specifying the sample in the first tab 'ELEMENT' (Shortcut: F2). From the drop down menu in the bottom left select the electron shell and the element and set the electron occupation of the outer shell. From the drop down menus in the bottom right select the absorption edges probed in the experiment. The edge values can be defined more precisely later on and the values selected in the 'ELEMENTS' tab mainly tell the program how many edges to consider.

The next step in the analysis is the sustraction of a background from the XAS spectrum. Switch to the 'BACKGROUND' tab (Shortcut: F3). A click on the estimate button (shortcut: CRTL+E), located in the middle right part of the programm, tells it to guess initial values for certain markers relevant to the background subtraction. The markers divide the XAS spectrum in three regions: pre-edge, post-edge and the region containing the absorption edges.

The model itself consists of one or two Gaussian error functions whose turning points coincide with the absorption edges. Slide the markers to the absorption edges by clicking and dragging the markers labeled 'Edge 1' and as the case may be 'Edge 2'. Every change done in this way automatically updates the model. Pre- and Post-edge regions define the constant model offsets before and after the steps by calculating the arithmetic mean over the data points inside the respective regions. Set the markers 'Pre Edge Min', 'Pre Edge Max', 'Post Edge Min', 'Post Edge Max' accordingly. Two values are missing to entirely define the module: the step width and, in case of a two-step model, the ratio between the two steps. These values can be adjusted in the bottom right corner of the 'BACKGROUND' tab. If the cursor is inside the according the selection boxes, one can use the up and down arrow keys on the keyboard to adjust the values.

Notice that the model is not fitted but only adjusted by eye. The user is encouraged to alter the quantities defining the background module during an analysis to validate the reliability of the method.

For the final step of the analysis switch to the 'INTEGRATION' tab (shortcut: F4). The plot window shows three curves: the corrected XAS absorption spectrum and the cumulative integral of both the XMCD and the XAS spectra. In the top left corner of the tab one can find markers corresponding to the integrals used to calculate the orbital and the spin magnetic moment. The latter values are displayed on the top right corner of the tab. Click the estimate button to assign an initial value to the markers. Markers p and q acts on the integral of the XMCD spectrum, marker r acts on the integral of the XAS spectrum (c.f. Section Theory for the equations).

up

2. Theory

3d samples

We use equations (1) and (2) from Chen et. al. to obtain the equations used by the present application. The orbital angular momentum is calculated using

Orbital angular momentum

while the spin angular momentum is given by

Spin angular momentum

where the n define the maximal and average electron occupation of the 3d shell. The latter is given by

Maximal occupation of 3d electron shell

The ration of the above expressions simplifies to

Ration of orbital and spin angular momentum

Both equations for orbital and spin magnetic moment the parameter p, q and r which are obtained from the integrals certain features of the absorption and the difference spectra. Following the paper of Chen et. al., we treat the case of a 3d material. The parameter r is given by the integral over the whole range of the absorption spectrum:

Integral r

Here a factor 2 is introduced by the way the XAS absorption spectrum is calculated. Instead of summation over both polarizations, the application assumes the XAS absorption is calculated as the mean of the differently polarized spectra.
Integral p considers the L3 absorption edge feature of the difference (XMCD) spectrum

Integral p

while intergral q considers the L2 absorption edge feature in the same spectrum

Integral q

The μs are given by the absorption spectrum recorded at different polarizations. Thus in the last three equations, the expression in parentheses is either the XAS spectrum (r: +) or the XMCD spectrum (p,q: -).

4f samples

In case of 4f samples, the present application uses equations (2) and (3) from Krishnamurthy et. al.. The orbital angular momentum is calculated using

Orbital angular momentum

while the spin angular momentum is given by

Spin angular momentum

where the N_4f define the number of holes in the 4f shell. For 3d and 4f shells, the maximal occupation is

Maximal occupation of 4f electron shell

The equations used to calculate the magnetic moments thus reduce to

Maximal occupation of 3d and 4f electron shells

and

Maximal occupation of 3d and 4f electron shells

The ratio of both moments is calculated the ratio of the two latter equations. Both equations for orbital and spin magnetic moment are derived by assuming

Integral r

and

Integral p

where p is the integral of the XMCD spectrum up to the first absorption edge and q is the integral of the XMCD spectrum over the second absorption edge. The μ_0 is given by the integral of the mean of the XAS spectrum obtained from spectra recorded with different polarizations.

The application uses the method magneticMoment in the class Calculations of SumRulesTool.py.

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3. Keyboard Shortcuts

Shortcut Purpose Describtion
F1 Shows help file Opens a browser that displays this document.
F2, F3, F4 Switch tabs Switches to tabs ELEMENT, BACKGROUND resp. INTEGRATION
<CTRL>+E Estimate Trigger estimation of marker position. Only available on Background and Integration tab
<CTRL> + O Open data file Opens a file dialog to select a *.spec or *.dat file as input data.
<CRTL> + L Opens analysis file Opens a file dialog to open a previously saved analysis file
<CRTL> + S Save current analysis Saves recent changes to a previously saved analysis file. If the analysis has not been saved yet, a file dialog opens to specify the save location in the file system.
<CRTL> +
<SHIFT> + S
Save analysis as Saves current analysis in different analysis file.
<CRTL> + D Save data Saves data produced during the analysis. The save procedure produces one file containing two parts. In the first part all raw data on which the analysis was based is saved, i.e. the x-range, the XAS and XMCD spectrum, and the background model applied to the XAS spectrum before integration. Also, the corrected XAS and XMCD spectra are saved. The second part contains the integrated data.
<CRTL> +
<SHIFT> + D
Save analysis as Same as the above, but allows the user to select a different file in which the data is written.

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)erL0?s8}tVjz ?/0Ƈ ?u'eY__u̴;[_[-;l!vx<- w:@ݿ{xx HB+E!r”TUگOVUTZk`0H*@ض)ygg?( xA~"`tcd Foo&KX(fD)Bx^"J*%TaZbo|LqQZIENDB`PyMca5-5.2.2/PyMca5/PyMcaData/EXAFS_Cu.dat0000644000276300001750000006651513136054446017636 0ustar solebliss00000000000000#F D:/Cu-EXAFS.dat #D Mon Jun 04 14:15:57 2012 #S 1 cu.dat 1.1 Column 2 #D Mon Jun 04 14:15:57 2012 #N 2 #L Column 1 Column 2 8002.894 0.5249888 8007.32 0.5236315 8011.75 0.5225714 8016.183 0.5218208 8020.621 0.5207962 8025.062 0.5200812 8029.507 0.5189023 8033.955 0.518247 8038.408 0.5174832 8042.862 0.5163729 8047.322 0.5156916 8051.784 0.5147099 8056.249 0.5140327 8060.717 0.5130494 8100.171 0.5058498 8145.276 0.4974594 8190.697 0.4893574 8236.507 0.4815498 8282.821 0.4740914 8329.766 0.4664946 8377.449 0.4588794 8425.936 0.451215 8475.238 0.4437138 8525.308 0.4360756 8576.049 0.4284512 8576.304 0.4284365 8576.56 0.4283843 8576.814 0.4282949 8577.069 0.4282861 8577.325 0.4283102 8577.579 0.4283116 8577.836 0.4282802 8578.09 0.4282368 8578.347 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2.567793 9546.892 2.567393 9547.202 2.566629 9547.515 2.566077 9547.826 2.56635 9549.076 2.564996 9550.95 2.563506 9552.823 2.561567 9554.698 2.559923 9556.573 2.558667 9558.45 2.557059 9560.326 2.555245 9562.204 2.554156 9564.082 2.552279 9565.961 2.55057 9567.84 2.548528 9569.719 2.54653 9571.6 2.544914 9573.481 2.542534 9575.364 2.54165 9577.247 2.539505 9579.128 2.537815 9581.014 2.53634 9582.897 2.53411 9584.783 2.531821 9586.67 2.529626 9588.556 2.528416 9590.444 2.526664 9592.332 2.525759 9594.22 2.523718 9596.11 2.522179 9598.001 2.521489 9599.891 2.520005 9601.782 2.518413 9603.676 2.517621 9605.569 2.516724 9607.463 2.515633 9609.357 2.514336 9611.252 2.513418 9613.148 2.512676 9615.046 2.511308 9616.944 2.510622 9618.842 2.509058 9620.743 2.508642 9622.643 2.507519 9624.543 2.506836 9626.446 2.505614 9628.348 2.504106 9630.251 2.504027 9632.155 2.50279 9634.061 2.50131 9635.966 2.500212 9637.873 2.499006 9639.78 2.498456 9641.688 2.496459 9643.597 2.495301 9645.508 2.492892 9647.418 2.492069 9649.331 2.49072 9651.243 2.488966 9653.156 2.487112 9655.07 2.485717 9656.985 2.484244 9658.903 2.482879 9660.819 2.480958 9662.737 2.479245 9664.655 2.477157 9666.575 2.475451 9666.736 2.474906 9667.055 2.47449 9667.377 2.474186 9667.695 2.474076 9668.015 2.473683 9668.336 2.473329 9668.655 2.472762 9668.977 2.472599 9669.296 2.472422 9669.617 2.472323 9669.938 2.472477 9670.259 2.472256 9670.577 2.471718 9670.897 2.471168 9671.219 2.470817 9671.539 2.47042 9671.859 2.470222 9672.179 2.470224 9672.5 2.469675 9672.82 2.469384 9673.141 2.469211 9673.461 2.469013 9673.782 2.468348 9674.104 2.467578 9674.425 2.467183 9674.745 2.466788 9675.064 2.466031 9675.385 2.46573 9675.706 2.465966 9676.026 2.466061 9676.348 2.465516 9676.669 2.465646 9676.99 2.465823 9677.31 2.465732 9677.631 2.465536 9677.952 2.465561 9678.272 2.46589 9678.595 2.465018 9678.916 2.464985 9679.236 2.464894 9679.558 2.46407 9679.877 2.464386 9680.199 2.463609 9680.52 2.46353 9680.841 2.462974 9681.163 2.462628 9681.483 2.462491 9681.806 2.462412 9682.126 2.461857 9682.448 2.461767 9682.769 2.461677 9683.09 2.461436 9683.411 2.460881 9683.732 2.460432 9684.055 2.460655 9684.375 2.460206 9684.698 2.459837 9685.019 2.459689 9685.341 2.459067 9685.662 2.459463 9685.983 2.458981 9686.305 2.458856 9686.626 2.458246 9686.947 2.457995 9687.269 2.458021 9687.593 2.457527 9687.913 2.457125 9688.235 2.456792 9688.557 2.456645 9688.878 2.456348 9689.201 2.455625 9689.522 2.455638 9689.844 2.454892 9690.165 2.454573 9690.488 2.454391 9690.811 2.454142 9691.132 2.453902 9691.454 2.453402 9691.775 2.453832 9692.098 2.453674 9692.419 2.453401 9692.742 2.452566 9693.064 2.45211 9693.387 2.452299 9693.709 2.452406 9694.031 2.451962 9694.354 2.451092 9694.675 2.451141 9694.998 2.450619 9695.32 2.450611 9695.643 2.449757 9695.965 2.449898 9696.288 2.449534 9696.609 2.449115 9696.933 2.449131 9697.256 2.448666 9697.577 2.448327 9697.901 2.448593 9698.223 2.448482 9698.545 2.44811 9698.868 2.447931 9699.19 2.447331 9699.514 2.447517 9699.836 2.446986 9700.16 2.446864 9700.48 2.446605 9700.804 2.446472 9701.127 2.445987 9701.449 2.446229 9701.773 2.446121 9702.096 2.445488 9702.419 2.445584 9702.741 2.445792 9703.064 2.445057 9703.388 2.444879 9703.711 2.444395 9704.034 2.444535 9704.356 2.444051 9704.681 2.443805 9705.003 2.443616 9705.325 2.443167 9705.649 2.443114 9705.972 2.442653 9706.297 2.442329 9706.619 2.442208 9706.942 2.441828 9707.266 2.441696 9707.589 2.441315 9707.913 2.441286 9708.235 2.440973 9708.56 2.441169 9708.884 2.440417 9709.207 2.43998 9709.531 2.440334 9709.854 2.439797 9710.178 2.439575 9710.501 2.43879 9710.824 2.438761 9711.148 2.438641 9711.473 2.438454 9711.796 2.438132 9712.12 2.438203 9712.443 2.437645 9712.767 2.437604 9713.091 2.437418 9713.414 2.437287 9713.739 2.436291 9714.063 2.436261 9714.387 2.436075 9714.71 2.435889 9715.033 2.435601 9715.359 2.435236 9715.683 2.435678 9716.007 2.434662 9716.331 2.434846 9716.979 2.433992 9719.249 2.432492 9721.521 2.430417 9723.794 2.42897 9726.068 2.42726 9728.345 2.425335 9730.621 2.423978 9732.899 2.422601 9735.18 2.420899 9737.462 2.419202 9739.743 2.417334 9742.028 2.415361 9744.313 2.413274 9746.601 2.413217 9748.89 2.412519 9751.18 2.410779 9753.472 2.409316 9755.765 2.407975 9758.059 2.406896 9760.354 2.404723 9762.652 2.403556 9764.95 2.401745 9767.252 2.400688 9769.554 2.399386 9771.857 2.398079 9774.161 2.395976 9776.469 2.394323 9778.777 2.39288 9781.085 2.39109 9783.396 2.389275 9785.709 2.388031 9788.023 2.386814 9790.339 2.385083 9792.656 2.383199 9794.975 2.382793 9797.295 2.380872 9799.615 2.37907 9801.938 2.37695 9804.264 2.37537 9806.591 2.373952 9808.918 2.371987 9811.248 2.370198 9813.579 2.369147 9815.91 2.366951 9818.244 2.365879 9820.58 2.364227 9822.919 2.362621 9825.257 2.360694 9827.597 2.358914 9828.1 2.358837 9830.774 2.356851 9833.454 2.354689 9836.136 2.352947 9838.817 2.35111 9841.503 2.348927 9844.189 2.347152 9846.879 2.345471 9849.57 2.343398 9852.264 2.341678 9854.958 2.339568 9857.655 2.337643 9860.354 2.335152 9863.055 2.333986 9865.759 2.332127 9868.464 2.330136 9871.171 2.328152 9873.88 2.326087 9876.592 2.324378 9879.305 2.322538 9882.021 2.320753 9884.737 2.31928 9887.456 2.317849 9890.179 2.315599 9892.901 2.314264 9895.627 2.312761 9898.354 2.31109 9901.083 2.309253 9903.814 2.307422 9906.549 2.306022 9909.283 2.304456 9912.02 2.302554 9914.759 2.300828 9917.5 2.298976 9920.244 2.297728 9922.989 2.295886 9925.735 2.29418 9928.483 2.292394 9931.235 2.290698 9933.987 2.289377 9936.741 2.287191 9939.499 2.285261 9942.257 2.28363 9945.018 2.281959 9947.778 2.279918 9950.543 2.278504 9953.309 2.276929 9956.076 2.275114 9958.846 2.273629 9961.617 2.271824 9964.391 2.270231 9967.165 2.26831 9969.943 2.266602 9972.721 2.264979 9975.502 2.263324 9978.284 2.262075 PyMca5-5.2.2/PyMca5/PyMcaMisc/0000755000276300001750000000000013205526235015651 5ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/PyMcaMisc/PhysicalMemory.py0000644000276300001750000001150513136054446021175 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2017 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os import ctypes import traceback def loadCLibrary(name="libc.so"): try: libc = ctypes.CDLL(name) except OSError: text = traceback.format_exc() if "invalid ELF header" in text: library = text.split(": ") if len(library) > 1: libraryFile = library[1] if os.path.exists(libraryFile): # to read some line f = open(libraryFile, 'r') for i in range(10): line = f.readline() if name in line: f.close() lineSplit = line.split(name) libraryFile = lineSplit[0].split()[-1] +\ name+\ lineSplit[1].split()[0] break libraryFile = line[line.index(libraryFile):].split()[0] libc = ctypes.CDLL(libraryFile) else: raise return libc if sys.platform == 'win32': class MEMORYSTATUSEX(ctypes.Structure): _fields_ = [ ("dwLength", ctypes.c_ulong), ("dwMemoryLoad", ctypes.c_ulong), ("ullTotalPhys", ctypes.c_ulonglong), ("ullAvailPhys", ctypes.c_ulonglong), ("ullTotalPageFile", ctypes.c_ulonglong), ("ullAvailPageFile", ctypes.c_ulonglong), ("ullTotalVirtual", ctypes.c_ulonglong), ("ullAvailVirtual", ctypes.c_ulonglong), ("sullAvailExtendedVirtual", ctypes.c_ulonglong), ] def __init__(self): # have to initialize this to the size of MEMORYSTATUSEX self.dwLength = ctypes.sizeof(self) super(MEMORYSTATUSEX, self).__init__() #print("MemoryLoad: %d%%" % (stat.dwMemoryLoad)) #print("Physical memory = %d" % stat.ullTotalPhys) #print(stat.ullAvailPhys) def getPhysicalMemory(): stat = MEMORYSTATUSEX() ctypes.windll.kernel32.GlobalMemoryStatusEx(ctypes.byref(stat)) return stat.ullTotalPhys elif sys.platform.startswith('linux'): def getPhysicalMemory(): return os.sysconf('SC_PAGESIZE') * os.sysconf('SC_PHYS_PAGES') elif sys.platform == 'darwin': def getPhysicalMemory(): libc = loadCLibrary("libc.dylib") memsize = ctypes.c_uint64(0) length = ctypes.c_size_t(ctypes.sizeof(memsize)) name = "hw.memsize" if hasattr(name, "encode"): # Passing a string was returning 0 memory size under Python 3.5 name = name.encode() libc.sysctlbyname(name, ctypes.byref(memsize), ctypes.byref(length), None, 0) return memsize.value else: def getPhysicalMemory(): return None def getPhysicalMemoryOrNone(): try: value = getPhysicalMemory() if value <= 0: # Value makes no sense. # return None as requested in case of failure print("WARNING: Returned physical memory does not make sense %d" % \ value) return None else: return value except: return None if __name__ == "__main__": print("Physical memory = %d" % getPhysicalMemory()) PyMca5-5.2.2/PyMca5/PyMcaMisc/__init__.py0000644000276300001750000000000013136054446017753 0ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/__init__.py0000644000276300001750000002027113173367502016143 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2017 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" __version__ = "5.2.2" import os import sys from PyMca5.PyMcaDataDir import PYMCA_DATA_DIR try: from fisx.DataDir import FISX_DATA_DIR except ImportError: FISX_DATA_DIR = None DEBUG = 0 if sys.platform.startswith("win"): import ctypes from ctypes.wintypes import MAX_PATH try: # make sure hdf5plugins are imported when using PyMca import hdf5plugin except: # but at the same time do not disturb other people pass if os.path.exists(os.path.join(\ os.path.dirname(os.path.dirname(__file__)), 'py2app_setup.py')): raise ImportError('PyMca cannot be imported from source directory') def version(): return __version__ def getDefaultSettingsFile(): """ Return the path to the default settings file (PyMca.ini). The file itself may not exist, but this function tries to create the containing directory if not already created. """ filename = "PyMca.ini" if sys.platform == 'win32': # recipe based on: http://bugs.python.org/issue1763#msg62242 dll = ctypes.windll.shell32 buf = ctypes.create_unicode_buffer(MAX_PATH + 1) if dll.SHGetSpecialFolderPathW(None, buf, 0x0005, False): directory = buf.value else: # the above should have worked home = os.getenv('USERPROFILE') try: l = len(home) directory = os.path.join(home, "My Documents") except: home = '\\' directory = '\\' if os.path.isdir('%s' % directory): directory = os.path.join(directory, "PyMca") else: directory = os.path.join(home, "PyMca") if not os.path.exists('%s' % directory): os.mkdir('%s' % directory) finalfile = os.path.join(directory, filename) else: home = os.getenv('HOME') directory = os.path.join(home, "PyMca") if not os.path.exists('%s' % directory): os.mkdir('%s' % directory) finalfile = os.path.join(directory, filename) return finalfile def getDefaultUserPluginsDirectory(): """ Return the default directory to look for user defined plugins. The directory will be created if not existing. In case of error it returns None. """ try: settingsDir = os.path.dirname(getDefaultSettingsFile()) if os.path.exists(settingsDir): userPluginDir = os.path.join(settingsDir, "plugins") if not os.path.exists(userPluginDir): os.mkdir(userPluginDir) return userPluginDir else: return None except: print("WARNING: Cannot initialize plugis directory") return None def getUserDataFile(fileName, directory=""): """ Look for an alternative to the given filename in the default user data directory """ userDataDir = None try: settingsDir = os.path.dirname(getDefaultSettingsFile()) if os.path.exists(settingsDir): userDataDir = os.path.join(settingsDir, "data") if not os.path.exists(userDataDir): os.mkdir(userDataDir) except: print("WARNING: cannot initialize user data directory") if userDataDir is None: return fileName baseName = os.path.basename(fileName) if len(directory): userDataFile = os.path.join(userDataDir, directory, baseName) else: userDataFile = os.path.join(userDataDir, baseName) if os.path.exists(userDataFile): if DEBUG: print("Using user data file: %s" % userDataFile) return userDataFile else: if DEBUG: print("Using data file: %s" % fileName) return fileName def getDataFile(fileName, directory=None): """ Look for the provided file name in directories following the priority: 0 - The provided file 1 - User data directory (~/PyMca/PyMcaData) 2 - PyMca data directory (PyMcaDataDir.PYMCA_DATA_DIR) 3 - fisx data directory (fisx.DataDir.FISX_DATA_DIR) """ # return the input file name if exists if os.path.exists(fileName): if DEBUG: print("Filename as supplied <%s>" % newFileName) return fileName # the list of sub-directories where to look for the file if directory is None: directoryList = [""] else: directoryList = [directory, ""] # user for subdirectory in directoryList: newFileName = getUserDataFile(fileName, directory=subdirectory) if os.path.exists(newFileName): if DEBUG: print("Filename from user <%s>" % newFileName) return newFileName # PyMca for subdirectory in directoryList: newFileName = os.path.join(PYMCA_DATA_DIR, subdirectory, os.path.basename(fileName)) if os.path.exists(newFileName): if DEBUG: print("Filename from PyMca Data Directory <%s>" % newFileName) return newFileName # fisx if FISX_DATA_DIR is not None: for subdirectory in directoryList: newFileName = os.path.join(FISX_DATA_DIR, subdirectory, os.path.basename(fileName)) if os.path.exists(newFileName): if DEBUG: print("Filename from fisx Data Directory <%s>" % \ newFileName) return newFileName # file not found txt = "File not found: <%s>" % fileName if FISX_DATA_DIR is None: txt += " Please install fisx module (command 'pip install fisx [--user]')." raise IOError(txt) # workaround matplotlib MPLCONFIGDIR issues under windows if sys.platform.startswith("win"): try: #try to avoid matplotlib config dir problem under windows if os.getenv("MPLCONFIGDIR") is None: os.environ['MPLCONFIGDIR'] = os.path.dirname(getDefaultSettingsFile()) except: print("WARNING: Could not set MPLCONFIGDIR.", sys.exc_info()[1]) # mandatory modules for backwards compatibility from .PyMcaCore import Plugin1DBase, StackPluginBase, PyMcaDirs, DataObject #convenience modules that could be directly imported # using from PyMca5.PyMca import try: from .PyMcaIO import specfilewrapper, EdfFile, specfile, ConfigDict except: print("WARNING importing IO directly") from PyMcaIO import specfilewrapper, EdfFile, specfile, ConfigDict from .PyMcaMath.fitting import SpecfitFuns, Gefit, Specfit from .PyMcaMath.fitting import SpecfitFunctions from .PyMcaPhysics.xrf import Elements #all the rest can be imported using from PyMca5.PyMca import ... from . import PyMca PyMca5-5.2.2/PyMca5/PyMcaDataDir.py0000644000276300001750000000767013136054446016655 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2016 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import os # this will be filled by the setup PYMCA_DATA_DIR = 'DATA_DIR_FROM_SETUP' # This is to be filled by the setup PYMCA_DOC_DIR = 'DOC_DIR_FROM_SETUP' # this is used in build directory if not os.path.exists(PYMCA_DATA_DIR): tmp_dir = os.path.dirname(os.path.abspath(__file__)) old_tmp_dir = tmp_dir + "dummy" basename = "PyMcaData" PYMCA_DATA_DIR = os.path.join(tmp_dir, "PyMca5", basename) while (len(PYMCA_DATA_DIR) > 20) and (tmp_dir != old_tmp_dir): if os.path.exists(PYMCA_DATA_DIR): break old_tmp_dir = tmp_dir tmp_dir = os.path.dirname(tmp_dir) PYMCA_DATA_DIR = os.path.join(tmp_dir, "PyMca5", basename) if not os.path.exists(PYMCA_DATA_DIR): PYMCA_DATA_DIR = os.getenv("PYMCA_DATA_DIR") if PYMCA_DATA_DIR is not None: if not os.path.exists(PYMCA_DATA_DIR): raise IOError('%s directory set from environent not found' % \ PYMCA_DATA_DIR) else: txt = "WARNING: Taking PYMCA_DATA_DIR from environement.\n" txt += "Use it at your own risk." print(txt) else: raise IOError('%s directory not found' % basename) # do the same for the directory containing HTML files if not os.path.exists(PYMCA_DOC_DIR): tmp_dir = os.path.dirname(os.path.abspath(__file__)) old_tmp_dir = tmp_dir + "dummy" basename = "PyMcaData" PYMCA_DOC_DIR = os.path.join(tmp_dir,basename) while (len(PYMCA_DOC_DIR) > 20) and (tmp_dir != old_tmp_dir): if os.path.exists(PYMCA_DOC_DIR): break old_tmp_dir = tmp_dir tmp_dir = os.path.dirname(tmp_dir) PYMCA_DOC_DIR = os.path.join(tmp_dir, "PyMca5", basename) if not os.path.exists(PYMCA_DOC_DIR): PYMCA_DOC_DIR = os.getenv("PYMCA_DOC_DIR") if PYMCA_DOC_DIR is not None: if not os.path.exists(PYMCA_DOC_DIR): raise IOError('%s directory set from environent not found' % \ PYMCA_DATA_DIR) else: txt = "WARNING: Taking PYMCA_DOC_DIR from environement.\n" txt += "Use it at your own risk." print(txt) else: # use the data dir as doc dir print("Setting PYMCA_DOC_DIR equal to PYMCA_DATA_DIR") PYMCA_DOC_DIR = PYMCA_DATA_DIR if not os.path.exists(PYMCA_DOC_DIR): raise IOError('%s documentation directory not found' % basename) PyMca5-5.2.2/PyMca5/EPDL97/0000755000276300001750000000000013205526235014730 5ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/EPDL97/EPDL97.DAT0000644000276300001750007324672013136054446016216 0ustar solebliss00000000000000 1000 7 0 1.007970+0 9707045 2 0.0 0.0 0.0 71 0 0 0.0 0.0 0.0 0.0 0.0 1.000000-6 9.887553-6 1.059784-6 1.235246-5 1.126020-6 1.538627-5 1.196396-6 1.933495-5 1.271171-6 2.449127-5 1.350619-6 3.121326-5 1.392826-6 3.537646-5 1.481238-6 4.569015-5 1.575262-6 5.929956-5 1.727606-6 8.834929-5 1.894683-6 1.326150-4 2.048000-6 1.873294-4 2.209817-6 2.535444-4 2.278874-6 2.875153-4 2.423529-6 3.719583-4 2.577366-6 4.847814-4 2.740969-6 6.361175-4 2.914956-6 8.399473-4 3.072000-6 1.068768-3 3.196862-6 1.270922-3 3.296764-6 1.455758-3 3.399788-6 1.672152-3 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1.495733-1-3.063730+0 1.536150-1-2.718337+0 1.597059-1-2.402656+0 1.683188-1-2.128298+0 1.808825-1-1.893861+0 2.011871-1-1.695652+0 2.245604-1-1.583450+0 2.647037-1-1.508881+0 3.664904-1-1.499173+0 8.091014-1-1.580339+0 2.451607+0-1.608726+0 7.403736+0-1.620284+0 1.000000+1-1.617998+0 1 PyMca5-5.2.2/PyMca5/EPDL97/GenerateEADLShellRadiativeRates.py0000644000276300001750000001321613136054446023310 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" __doc__= "Generate specfiles with EADL97 shell transition probabilities" import os import sys import EADLParser Elements = ['H', 'He', 'Li', 'Be', 'B', 'C', 'N', 'O', 'F', 'Ne', 'Na', 'Mg', 'Al', 'Si', 'P', 'S', 'Cl', 'Ar', 'K', 'Ca', 'Sc', 'Ti', 'V', 'Cr', 'Mn', 'Fe', 'Co', 'Ni', 'Cu', 'Zn', 'Ga', 'Ge', 'As', 'Se', 'Br', 'Kr', 'Rb', 'Sr', 'Y', 'Zr', 'Nb', 'Mo', 'Tc', 'Ru', 'Rh', 'Pd', 'Ag', 'Cd', 'In', 'Sn', 'Sb', 'Te', 'I', 'Xe', 'Cs', 'Ba', 'La', 'Ce', 'Pr', 'Nd', 'Pm', 'Sm', 'Eu', 'Gd', 'Tb', 'Dy', 'Ho', 'Er', 'Tm', 'Yb', 'Lu', 'Hf', 'Ta', 'W', 'Re', 'Os', 'Ir', 'Pt', 'Au', 'Hg', 'Tl', 'Pb', 'Bi', 'Po', 'At', 'Rn', 'Fr', 'Ra', 'Ac', 'Th', 'Pa', 'U', 'Np', 'Pu', 'Am', 'Cm', 'Bk', 'Cf', 'Es', 'Fm', 'Md', 'No', 'Lr', 'Rf', 'Db', 'Sg', 'Bh', 'Hs', 'Mt'] def getHeader(filename): text = '#F %s\n' % filename text += '#U00 This file is a conversion to specfile format of \n' text += '#U01 directly extracted EADL97 radiative transition probabilities.\n' text += '#U02 EADL itself can be found at:\n' text += '#U03 http://www-nds.iaea.org/epdl97/libsall.htm\n' text += '#U04 The code used to generate this file has been:\n' text += '#U05 %s\n' % os.path.basename(__file__) text += '#U06\n' text += '\n' return text if __name__ == "__main__": shellList = EADLParser.getBaseShellList() workingShells = ['K', 'L1', 'L2', 'L3', 'M1', 'M2', 'M3', 'M4', 'M5'] for shell in workingShells: fname = "EADL97_%sShellRadiativeRates.dat" % shell[0] print("fname = %s" % fname) if shell in ['K', 'L1', 'M1']: if os.path.exists(fname): os.remove(fname) nscan = 0 outfile = open(fname, 'wb') if sys.version < '3.0': outfile.write(getHeader(fname)) else: outfile.write(getHeader(fname).encode('UTF-8')) nscan += 1 for i in range(1,101): print("Z = %d, Element = %s" % (i, Elements[i-1])) element = Elements[i-1] try: ddict = EADLParser.getRadiativeTransitionProbabilities(\ Elements.index(element)+1, shell=shell) print("%s Shell radiative emission probabilities " % shell) except IOError: #print "IOError" #continue pass for key in shellList: if key not in ddict: ddict[key] = [0.0, 0.0] if i == 1: text = '#S %d %s emission rates\n' % (nscan, shell) text += '#N %d\n' % (2+len(shellList)-1) #generate the labels text += '#L Z TOTAL' for key in shellList: tmpKey = key.split()[0] if tmpKey in workingShells: if workingShells.index(tmpKey) <= workingShells.index(shell): continue text += ' %s%s' % (shell, tmpKey) text += '\n' else: text = '' total = 0.0 for key in shellList: total += ddict[key][0] text += '%d %.7E' % (i, total) for key in shellList: tmpKey = key.split()[0] if tmpKey in workingShells: if workingShells.index(tmpKey) <= workingShells.index(shell): continue text += ' %.7E' % ddict[key][0] text += '\n' if sys.version < '3.0': outfile.write(text) else: outfile.write(text.encode('UTF-8')) if sys.version < '3.0': outfile.write('\n') else: outfile.write('\n'.encode('UTF-8')) if sys.version < '3.0': outfile.write('\n') else: outfile.write('\n'.encode('UTF-8')) outfile.close() PyMca5-5.2.2/PyMca5/EPDL97/GenerateEADLShellNonradiativeRates.py0000644000276300001750000001773013136054446024030 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" __doc__= "Generate specfiles with EADL97 shell transition probabilities" import os import sys import EADLParser Elements = ['H', 'He', 'Li', 'Be', 'B', 'C', 'N', 'O', 'F', 'Ne', 'Na', 'Mg', 'Al', 'Si', 'P', 'S', 'Cl', 'Ar', 'K', 'Ca', 'Sc', 'Ti', 'V', 'Cr', 'Mn', 'Fe', 'Co', 'Ni', 'Cu', 'Zn', 'Ga', 'Ge', 'As', 'Se', 'Br', 'Kr', 'Rb', 'Sr', 'Y', 'Zr', 'Nb', 'Mo', 'Tc', 'Ru', 'Rh', 'Pd', 'Ag', 'Cd', 'In', 'Sn', 'Sb', 'Te', 'I', 'Xe', 'Cs', 'Ba', 'La', 'Ce', 'Pr', 'Nd', 'Pm', 'Sm', 'Eu', 'Gd', 'Tb', 'Dy', 'Ho', 'Er', 'Tm', 'Yb', 'Lu', 'Hf', 'Ta', 'W', 'Re', 'Os', 'Ir', 'Pt', 'Au', 'Hg', 'Tl', 'Pb', 'Bi', 'Po', 'At', 'Rn', 'Fr', 'Ra', 'Ac', 'Th', 'Pa', 'U', 'Np', 'Pu', 'Am', 'Cm', 'Bk', 'Cf', 'Es', 'Fm', 'Md', 'No', 'Lr', 'Rf', 'Db', 'Sg', 'Bh', 'Hs', 'Mt'] def getHeader(filename): text = '#F %s\n' % filename text += '#U00 This file is a conversion to specfile format of \n' text += '#U01 directly extracted EADL97 nonradiative transition probabilities.\n' text += '#U02 EADL itself can be found at:\n' text += '#U03 http://www-nds.iaea.org/epdl97/libsall.htm\n' text += '#U04 The code used to generate this file has been:\n' text += '#U05 %s\n' % os.path.basename(__file__) text += '#U06\n' text += '\n' return text if __name__ == "__main__": shellList = EADLParser.getBaseShellList() workingShells = ['K', 'L1', 'L2', 'L3', 'M1', 'M2', 'M3', 'M4', 'M5'] for shell in workingShells: fname = "EADL97_%sShellNonradiativeRates.dat" % shell[0] print("fname = %s" % fname) if shell in ['K', 'L1', 'M1']: if os.path.exists(fname): os.remove(fname) nscan = 0 outfile = open(fname, 'wb') tmpText = getHeader(fname) if sys.version < '3.0': outfile.write(tmpText) else: outfile.write(tmpText.encode('UTF-8')) nscan += 1 for i in range(1,101): print("Z = %d, Element = %s" % (i, Elements[i-1])) element = Elements[i-1] ddict = {} for key0 in shellList: tmpKey = key0.split()[0] if tmpKey in workingShells: if workingShells.index(tmpKey) <= workingShells.index(shell): continue for key1 in shellList: tmpKey = key1.split()[0] if tmpKey in workingShells: if workingShells.index(tmpKey) <= workingShells.index(shell): continue key = "%s-%s%s" % (shell, key0.split()[0], key1.split()[0]) if shell in [key0.split()[0], key1.split()[0]]: continue ddict[key] = [0.0, 0.0] try: ddict = EADLParser.getNonradiativeTransitionProbabilities(\ Elements.index(element)+1, shell=shell) print("%s Shell nonradiative emission probabilities " % shell) except IOError: #This happens when reading elements not presenting the transitions pass #continue if i == 1: #generate the labels nTransitions = 0 tmpText = '#L Z TOTAL' for key0 in workingShells: tmpKey = key0.split()[0] if tmpKey in workingShells: if workingShells.index(tmpKey) <= workingShells.index(shell): continue for key1 in shellList: tmpKey = key1.split()[0] if tmpKey in workingShells: if workingShells.index(tmpKey) <= workingShells.index(shell): continue key = "%s-%s%s" % (shell, key0.split()[0], key1.split()[0]) tmpText += ' %s' % (key) nTransitions += 1 text = '#S %d %s-Shell nonradiative rates\n' % (nscan, shell) text += '#N %d\n' % (2 + nTransitions) text += tmpText + '\n' else: text = '' # this loop calculates the totals, because it cannot be deduced from the subset # transitions written in the file total = 0.0 for key0 in shellList: tmpKey = key0.split()[0] if tmpKey in workingShells: if workingShells.index(tmpKey) <= workingShells.index(shell): continue for key1 in shellList: tmpKey = key1.split()[0] if tmpKey in workingShells: if workingShells.index(tmpKey) <= workingShells.index(shell): continue key = "%s-%s%s" % (shell, key0.split()[0], key1.split()[0]) total += ddict.get(key, [0.0, 0.0])[0] text += '%d %.7E' % (i, total) for key0 in workingShells: tmpKey = key0.split()[0] if tmpKey in workingShells: if workingShells.index(tmpKey) <= workingShells.index(shell): continue for key1 in shellList: tmpKey = key1.split()[0] if tmpKey in workingShells: if workingShells.index(tmpKey) <= workingShells.index(shell): continue key = "%s-%s%s" % (shell, key0.split()[0], key1.split()[0]) valueToWrite = ddict.get(key, [0.0, 0.0])[0] if valueToWrite == 0.0: text += ' 0.0' else: text += ' %.7E' % valueToWrite text += '\n' if sys.version < '3.0': outfile.write(text) else: outfile.write(text.encode('UTF-8')) if sys.version < '3.0': outfile.write('\n') else: outfile.write('\n'.encode('UTF-8')) if sys.version < '3.0': outfile.write('\n') else: outfile.write('\n'.encode('UTF-8')) outfile.close() PyMca5-5.2.2/PyMca5/EPDL97/__init__.py0000644000276300001750000000466513136054446017057 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Software Group" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" __doc__ = """ These modules allow to parse the Evaluated Photon Data Library files. The modules to use are: EADLParser EPDL97Parser The converted files used by PyMca can be obtained using the scripts: - GenerateEADLBindingEnergies.py - GenerateEADLShellConstants.py - GenerateEADLShellNonradiativeRates.py - GenerateEADLShellRadiativeRates.py - GenerateEPDL97CrossSections.py - GenerateEPDL97TotalCrossSections.py Those scripts can be found in your EPDL97 installation directory: .. code-block:: python import os from PyMca5 import EPDL97 print(os.path.dirname(EPDL97.__file__)) """ __version__ = '1.0' # The parsing modules # force the import here in order to see the available # modules when doing from PyMca5 import EADL97 # followed by dir(EADL97) in an interactive session. from . import EADLParser, EADLSubshells, EPDL97Parser PyMca5-5.2.2/PyMca5/EPDL97/EADLSubshells.py0000644000276300001750000000752613136054446017711 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" __doc__="Translation from EADL index to actual shell (Table VI)" SHELL_LIST = ['K (1s1/2)', 'L (2)', 'L1 (2s1/2)', 'L23 (2p)', 'L2 (2p1/2)', 'L3 (2p3/2)', 'M (3)', 'M1 (3s1/2)', 'M23 (3p)', 'M2 (3p1/2)', 'M3 (3p3/2)', 'M45 (3d)', 'M4 (3d3/2)', 'M5 (3d5/2)', 'N (4)', 'N1 (4s1/2)', 'N23 (4p)', 'N2 (4p1/2)', 'N3 (4p3/2)', 'N45 (4d)', 'N4 (4d3/2)', 'N5 (4d5/2)', 'N67 (4f)', 'N6 (4f5/2)', 'N7 (4f7/2)', 'O (5)', 'O1 (5s1/2)', 'O23 (5p)', 'O2 (5p1/2)', 'O3 (5p3/2)', 'O45 (5d)', 'O4 (5d3/2)', 'O5 (5d5/2)', 'O67 (5f)', 'O6 (5f5/2)', 'O7 (5f7/2)', 'O89 (5g)', 'O8 (5g7/2)', 'O9 (5g9/2)', 'P (6)', 'P1 (6s1/2)', 'P23 (6p)', 'P2 (6p1/2)', 'P3 (6p3/2)', 'P45 (6d)', 'P4 (6d3/2)', 'P5 (6d5/2)', 'P67 (6f)', 'P6 (6f5/2)', 'P7 (6f7/2)', 'P89 (6g)', 'P8 (6g7/2)', 'P9 (6g9/2)', 'P1011 (6h)', 'P10 (6h9/2)', 'P11 (6h11/2)', 'Q (7)', 'Q1 (7s1/2)', 'Q23 (7p)', 'Q2 (7p1/2)', 'Q3 (7p3/2)'] def getSubshellFromValue(value): idx = int(value) - 1 if idx < 0: raise IndexError("Invalid EADL Atomic Subshell Designator") return SHELL_LIST[idx] def getValueFromSubshell(subshell): """ Returns the float value associated to the respective shell or subshell """ if subshell.startswith('K'): return 1.0 #cleanup subshell wshell = subshell.replace(" ","") wshell = wshell.split("(")[0] wshell = wshell.upper() #test i = 0 for shell in SHELL_LIST: i += 1 if wshell == shell.split(" ")[0]: return float(i) raise ValueError("Invalid shell name %s" % subshell) PyMca5-5.2.2/PyMca5/EPDL97/GenerateEPDL97CrossSections.py0000644000276300001750000003226513136054446022416 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" __doc__= "Generate specfile from all EPL97 cross sections in keV and barn" import os import sys import EADLSubshells import EPDL97Parser as EPDLParser Elements = EPDLParser.Elements AVOGADRO_NUMBER = EPDLParser.AVOGADRO_NUMBER import numpy log = numpy.log exp = numpy.exp getTotalCoherentCrossSection = EPDLParser.getTotalCoherentCrossSection getTotalIncoherentCrossSection = EPDLParser.getTotalIncoherentCrossSection getTotalPhotoelectricCrossSection = EPDLParser.getTotalPhotoelectricCrossSection getPartialPhotoelectricCrossSection = EPDLParser.getPartialPhotoelectricCrossSection getTotalPairCrossSection = EPDLParser.getTotalPairCrossSection getTotalTripletCrossSection = EPDLParser.getTotalTripletCrossSection def getHeader(filename): text = '#F %s\n' % filename text += '#U00 This file is a direct conversion to specfile format of \n' text += '#U01 the original EPDL97 photoelectric cross sections contained\n' text += '#U02 in the EPDL97.DAT file from the library.\n' text += '#U03 EPDL97 itself can be found at:\n' text += '#U04 http://www-nds.iaea.org/epdl97/libsall.htm\n' text += '#U05\n' text += '#U06 The command used to generate this file has been:\n' if len(sys.argv) > 3: text += '#U07 %s %s %s %s\n' % (os.path.basename(__file__),\ sys.argv[1], sys.argv[2], sys.argv[3]) else: text += '#U07 %s %s %s\n' % (os.path.basename(__file__),\ sys.argv[1], sys.argv[2]) text += '\n' return text if __name__ == "__main__": if len(sys.argv) < 3: print("Usage:") print("python EPDL97GenerateCrossSections SPEC_output_filename barns_flag [short_output_flag]") sys.exit(0) SHORT_OUTPUT_FLAG = 0 if len(sys.argv) > 3: SHORT_OUTPUT_FLAG = int(sys.argv[3]) fname = sys.argv[1] if os.path.exists(fname): os.remove(fname) if int(sys.argv[2]): BARNS = True else: BARNS = False print("BARNS = %s" % BARNS) outfile = open(fname, 'wb') outfile.write(getHeader(fname)) shells = EADLSubshells.SHELL_LIST bad_shells = ['L (', 'L23', 'M (', 'M23', 'M45', 'N (', 'N23', 'N45', 'N67', 'O (', 'O23', 'O45', 'O67', 'O89', 'P (', 'P23', 'P45', 'P67', 'P89', 'P101', 'Q (', 'Q23', 'Q45', 'Q67'] LONG_LABELS = True #find the first element for which EPDL has N1 or P1 shell attenuation data if SHORT_OUTPUT_FLAG: testShell = "N1" else: testShell = "P1" z = 0 i = 0 while z == 0: i += 1 try: dummy = getPartialPhotoelectricCrossSection(i, testShell, getmode=True) z = i except IOError: pass firstNonZeroPhotoelectric = z for i in range(1, 101): print("i = %d element = %s" % (i, Elements[i-1])) #coherent energy_cohe, value_cohe, mode_cohe = getTotalCoherentCrossSection(i, getmode=True) #incoherent energy_incohe, value_incohe, mode_incohe = getTotalIncoherentCrossSection(i, getmode=True) #photoelectric energy_photo, value_photo, mode_photo = getTotalPhotoelectricCrossSection(i, getmode=True) #check to see the energies: #for j in range(10): # print energy_cohe[j], energy_incohe[j], energy_photo[j] #to select an appropriate energy grid as close as possible to the original #while keeping in mind the PyMca goals, I use the coherent energy grid till #the non-zero first value of the photoelectric cross section. At that point, #I use the photoelectric energy grid. energy = numpy.concatenate((energy_cohe[energy_cohe=energy_photo[0]] = value_photo[:] #convert to keV and cut at 500 keV energy *= 1000. indices = numpy.nonzero(energy<=500.) energy = energy[indices] photo = photo[indices] cohe = cohe[indices] incohe = incohe[indices] #I cut at 500 keV, I do not need to take the pair production total = photo + cohe + incohe #now I am ready to write a Specfile ele = Elements[i-1] text = '#S %d %s\n' % (i, ele) text += '#N %d\n' % (7+len(photo_label_list)) labels = '#L PhotonEnergy[keV]' labels += ' Rayleigh(coherent)[barn/atom]' labels += ' Compton(incoherent)[barn/atom]' labels += ' CoherentPlusIncoherent[barn/atom]' labels += ' Photoelectric[barn/atom]' if LONG_LABELS: for label in photo_long_label_list: labels += " "+label.replace(" ","")+"[barn/atom]" else: for label in photo_label_list: labels += " "+label+"[barn/atom]" labels += " AllOthers[barn/atom]" labels += ' TotalCrossSection[barn/atom]\n' if not BARNS: labels = labels.replace("barn/atom", "cm2/g") factor = (1.0E-24*AVOGADRO_NUMBER)/EPDLParser.getAtomicWeights()[i-1] else: factor = 1.0 text += labels if 0: fformat = "%g %g %g %g %g" else: fformat = "%.7E %.6E %.6E %.6E %.6E" outfile.write(text) cohe *= factor incohe *= factor photo *= factor total *= factor for n in range(len(energy)): if energy[n] == (1000. * energy_photo[0]): # one additional line line = fformat % (energy[n], cohe[n], incohe[n], cohe[n]+incohe[n], 0.0) for l in photo_label_list: line += " 0." line += " 0.0 %.6E\n" % (cohe[n]+incohe[n]) outfile.write(line) line = fformat % (energy[n], cohe[n], incohe[n], cohe[n]+incohe[n], photo[n]) d = 0.0 for l in photo_label_list: a = photo_dict[l]['value'][n] * factor #this tiny modification saves 20 Mbytes ... if a > 0.0: line += " %.6E" % a else: line += " 0." d += a restOfShells = photo[n]-d if (i < firstNonZeroPhotoelectric) or (restOfShells < 1.0E-7): line += " 0.0 %.6E\n" % (total[n]) else: line += " %.6E %.6E\n" % (restOfShells, total[n]) outfile.write(line) outfile.write('\n') outfile.close() PyMca5-5.2.2/PyMca5/EPDL97/EADL.DAT0000644000276300001750002503023413136054446016003 0ustar solebliss00000000000000 1000 0 0 1.00790+ 0 901205 2 0.00000+ 0 1.00000+50 0.00000+ 0 91912 0 .00000+ 0 .00000+ 0 .00000+ 0 .00000+ 0 .00000+ 0 1.00000+ 0 1.00000+ 0 1 1000 0 0 1.00790+ 0 901205 2 0.00000+ 0 1.00000+50 0.00000+ 0 91913 0 .00000+ 0 .00000+ 0 .00000+ 0 .00000+ 0 .00000+ 0 1.00000+ 0 1.36100- 5 1 1000 0 0 1.00790+ 0 880712 2 0.00000+ 0 1.00000+50 0.00000+ 0 91914 0 .00000+ 0 .00000+ 0 .00000+ 0 .00000+ 0 .00000+ 0 1.00000+ 0 1.36100- 5 1 1000 0 0 1.00790+ 0 880712 2 0.00000+ 0 1.00000+50 0.00000+ 0 91915 0 .00000+ 0 .00000+ 0 .00000+ 0 .00000+ 0 .00000+ 0 1.00000+ 0 7.93560- 9 1 1000 0 0 1.00790+ 0 901205 2 0.00000+ 0 1.00000+50 0.00000+ 0 92935 0 .00000+ 0 .00000+ 0 .00000+ 0 .00000+ 0 .00000+ 0 1.00000+ 0 1.36100- 5 1 2000 0 0 4.00260+ 0 901205 2 0.00000+ 0 1.00000+50 0.00000+ 0 91912 0 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4 3.60000+ 1 4.30000+ 1 6.77132- 4 3.94660- 4 3.60000+ 1 4.40000+ 1 4.48898- 4 4.10160- 4 3.60000+ 1 5.80000+ 1 2.21055- 4 4.30080- 4 4.10000+ 1 4.10000+ 1 4.09761- 4 3.16410- 4 4.10000+ 1 4.30000+ 1 4.82007- 4 3.39990- 4 4.10000+ 1 4.40000+ 1 6.33231- 4 3.55490- 4 4.10000+ 1 5.80000+ 1 5.31025- 5 3.75410- 4 4.30000+ 1 4.30000+ 1 4.32801- 5 3.63570- 4 4.30000+ 1 4.40000+ 1 2.35275- 4 3.79070- 4 4.30000+ 1 5.80000+ 1 2.62555- 5 3.98990- 4 4.40000+ 1 4.40000+ 1 8.63060- 5 3.94570- 4 4.40000+ 1 5.80000+ 1 3.65042- 5 4.14490- 4 1 100000 0 7 2.57000+ 2 901205 2 0.00000+ 0 1.00000+50 0.00000+ 0 92931 91 .00000+ 0 2.90000+ 1 .00000+ 0 .00000+ 0 .00000+ 0 3.20000+ 1 1.28010- 4 2.14170- 4 4.10000+ 1 1.34510- 5 3.03210- 4 5.80000+ 1 1.09850- 6 3.62210- 4 1 100000 0 9 2.57000+ 2 901205 2 0.00000+ 0 1.00000+50 0.00000+ 0 92932 91 .00000+ 0 2.90000+ 1 .00000+ 0 .00000+ 0 .00000+ 0 3.00000+ 1 3.50000+ 1 3.19539- 2 8.66000- 5 3.00000+ 1 3.60000+ 1 1.83849- 2 8.87100- 5 3.00000+ 1 4.10000+ 1 1.28119- 2 3.40400- 5 3.00000+ 1 4.30000+ 1 9.20035- 3 5.76200- 5 3.00000+ 1 4.40000+ 1 7.11367- 3 7.31200- 5 3.00000+ 1 5.80000+ 1 7.02207- 4 9.30400- 5 3.20000+ 1 3.20000+ 1 6.87239- 2 6.02800- 5 3.20000+ 1 3.30000+ 1 2.73960- 1 7.48800- 5 3.20000+ 1 3.50000+ 1 1.00430- 1 2.01880- 4 3.20000+ 1 3.60000+ 1 2.23539- 1 2.03990- 4 3.20000+ 1 4.10000+ 1 3.15990- 2 1.49320- 4 3.20000+ 1 4.30000+ 1 2.09609- 2 1.72900- 4 3.20000+ 1 4.40000+ 1 2.79870- 2 1.88400- 4 3.20000+ 1 5.80000+ 1 2.40020- 3 2.08320- 4 3.30000+ 1 3.30000+ 1 1.08784- 2 8.94800- 5 3.30000+ 1 3.50000+ 1 5.56572- 2 2.16480- 4 3.30000+ 1 3.60000+ 1 1.26013- 2 2.18590- 4 3.30000+ 1 4.10000+ 1 3.30294- 3 1.63920- 4 3.30000+ 1 4.30000+ 1 1.52062- 2 1.87500- 4 3.30000+ 1 4.40000+ 1 2.88635- 3 2.03000- 4 3.30000+ 1 5.80000+ 1 2.07529- 4 2.22920- 4 3.50000+ 1 3.50000+ 1 4.81159- 3 3.43480- 4 3.50000+ 1 3.60000+ 1 2.97450- 2 3.45590- 4 3.50000+ 1 4.10000+ 1 3.71999- 3 2.90920- 4 3.50000+ 1 4.30000+ 1 7.36328- 3 3.14500- 4 3.50000+ 1 4.40000+ 1 3.24020- 3 3.30000- 4 3.50000+ 1 5.80000+ 1 2.74989- 4 3.49920- 4 3.60000+ 1 3.60000+ 1 1.58288- 3 3.47700- 4 3.60000+ 1 4.10000+ 1 1.42198- 3 2.93030- 4 3.60000+ 1 4.30000+ 1 1.13698- 2 3.16610- 4 3.60000+ 1 4.40000+ 1 1.11768- 3 3.32110- 4 3.60000+ 1 5.80000+ 1 8.76118- 5 3.52030- 4 4.10000+ 1 4.10000+ 1 1.00189- 4 2.38360- 4 4.10000+ 1 4.30000+ 1 1.44849- 3 2.61940- 4 4.10000+ 1 4.40000+ 1 2.42458- 4 2.77440- 4 4.10000+ 1 5.80000+ 1 1.23609- 5 2.97360- 4 4.30000+ 1 4.30000+ 1 8.66399- 4 2.85520- 4 4.30000+ 1 4.40000+ 1 1.74550- 3 3.01020- 4 4.30000+ 1 5.80000+ 1 1.11900- 4 3.20940- 4 4.40000+ 1 4.40000+ 1 7.39501- 5 3.16520- 4 4.40000+ 1 5.80000+ 1 1.43128- 5 3.36440- 4 1 100000 0 7 2.57000+ 2 901205 2 0.00000+ 0 1.00000+50 0.00000+ 0 92931 91 .00000+ 0 3.00000+ 1 .00000+ 0 .00000+ 0 .00000+ 0 3.20000+ 1 1.44899- 6 1.15280- 4 3.30000+ 1 1.89769- 5 1.29880- 4 4.10000+ 1 9.54487- 6 2.04320- 4 5.80000+ 1 7.57377- 7 2.63320- 4 1 100000 0 9 2.57000+ 2 901205 2 0.00000+ 0 1.00000+50 0.00000+ 0 92932 91 .00000+ 0 3.00000+ 1 .00000+ 0 .00000+ 0 .00000+ 0 3.20000+ 1 3.50000+ 1 2.85134- 2 1.02990- 4 3.20000+ 1 3.60000+ 1 1.07551- 1 1.05100- 4 3.20000+ 1 4.10000+ 1 6.55017- 3 5.04300- 5 3.20000+ 1 4.30000+ 1 4.56155- 3 7.40100- 5 3.20000+ 1 4.40000+ 1 1.13182- 2 8.95100- 5 3.20000+ 1 5.80000+ 1 3.94724- 4 1.09430- 4 3.30000+ 1 3.50000+ 1 3.67154- 1 1.17590- 4 3.30000+ 1 3.60000+ 1 3.22425- 1 1.19700- 4 3.30000+ 1 4.10000+ 1 3.15235- 2 6.50300- 5 3.30000+ 1 4.30000+ 1 3.22405- 2 8.86100- 5 3.30000+ 1 4.40000+ 1 2.99435- 2 1.04110- 4 3.30000+ 1 5.80000+ 1 2.32066- 3 1.24030- 4 3.50000+ 1 3.50000+ 1 7.74887- 4 2.44590- 4 3.50000+ 1 3.60000+ 1 1.74577- 2 2.46700- 4 3.50000+ 1 4.10000+ 1 2.74266- 3 1.92030- 4 3.50000+ 1 4.30000+ 1 8.13286- 4 2.15610- 4 3.50000+ 1 4.40000+ 1 6.13110- 3 2.31110- 4 3.50000+ 1 5.80000+ 1 9.12465- 5 2.51030- 4 3.60000+ 1 3.60000+ 1 6.93884- 3 2.48810- 4 3.60000+ 1 4.10000+ 1 5.07286- 3 1.94140- 4 3.60000+ 1 4.30000+ 1 3.88216- 3 2.17720- 4 3.60000+ 1 4.40000+ 1 7.35383- 3 2.33220- 4 3.60000+ 1 5.80000+ 1 2.38228- 4 2.53140- 4 4.10000+ 1 4.10000+ 1 2.77583- 4 1.39470- 4 4.10000+ 1 4.30000+ 1 3.72451- 4 1.63050- 4 4.10000+ 1 4.40000+ 1 1.19917- 3 1.78550- 4 4.10000+ 1 5.80000+ 1 3.35851- 5 1.98470- 4 4.30000+ 1 4.30000+ 1 5.89855- 6 1.86630- 4 4.30000+ 1 4.40000+ 1 1.05001- 3 2.02130- 4 4.30000+ 1 5.80000+ 1 1.46861- 5 2.22050- 4 4.40000+ 1 4.40000+ 1 9.43426- 4 2.17630- 4 4.40000+ 1 5.80000+ 1 7.89702- 5 2.37550- 4 1 PyMca5-5.2.2/PyMca5/EPDL97/GenerateEPDL97TotalCrossSections.py0000644000276300001750000001700113136054446023411 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" __doc__= "Generate specfile from EPL97 total cross sections in keV and barn" import os import sys import EPDL97Parser as EPDLParser Elements = EPDLParser.Elements AVOGADRO_NUMBER = EPDLParser.AVOGADRO_NUMBER import numpy log = numpy.log exp = numpy.exp getTotalCoherentCrossSection = EPDLParser.getTotalCoherentCrossSection getTotalIncoherentCrossSection = EPDLParser.getTotalIncoherentCrossSection getTotalPhotoelectricCrossSection = EPDLParser.getTotalPhotoelectricCrossSection getTotalPairCrossSection = EPDLParser.getTotalPairCrossSection getTotalTripletCrossSection = EPDLParser.getTotalTripletCrossSection def getHeader(filename): text = '#F %s\n' % filename text += '#U00 This file is a direct conversion to specfile format of \n' text += '#U01 the original EPDL97 total cross sections contained in the\n' text += '#U02 EPDL97.DAT from the library.\n' text += '#U03 EPDL97 itself can be found at:\n' text += '#U04 http://www-nds.iaea.org/epdl97/libsall.htm\n' text += '\n' return text if __name__ == "__main__": if len(sys.argv) < 3: print("Usage:") print("python EPDLGenerateTotalCrossSections SPEC_output_filename barns_flag") sys.exit(0) fname = sys.argv[1] if os.path.exists(fname): os.remove(fname) if int(sys.argv[2]): BARNS = True else: BARNS = False print("BARNS = %s" % BARNS) outfile = open(fname, 'wb') outfile.write(getHeader(fname)) for i in range(1, 101): print("i = %d element = %s" % (i, Elements[i-1])) #coherent energy_cohe, value_cohe, mode_cohe = getTotalCoherentCrossSection(i, getmode=True) #incoherent energy_incohe, value_incohe, mode_incohe = getTotalIncoherentCrossSection(i, getmode=True) #photoelectric energy_photo, value_photo, mode_photo = getTotalPhotoelectricCrossSection(i, getmode=True) #check to see the energies: #for j in range(10): # print energy_cohe[j], energy_incohe[j], energy_photo[j] #to select an appropriate energy grid as close as possible to the original #while keeping in mind the PyMca goals, I use the coherent energy grid till #the non-zero first value of the photoelectric cross section. At that point, #I use the photoelectric energy grid. energy = numpy.concatenate((energy_cohe[energy_cohe=energy_photo[0]] = value_photo[:] #convert to keV and cut at 500 keV energy *= 1000. indices = numpy.nonzero(energy<=500.) energy = energy[indices] photo = photo[indices] cohe = cohe[indices] incohe = incohe[indices] #I cut at 500 keV, I do not need to take the pair production total = photo + cohe + incohe #now I am ready to write a Specfile ele = Elements[i-1] text = '#S %d %s\n' % (i, ele) text += '#N 5\n' labels = '#L PhotonEnergy[keV]' labels += ' Rayleigh(coherent)[barn/atom]' labels += ' Compton(incoherent)[barn/atom]' labels += ' CoherentPlusIncoherent[barn/atom]' labels += ' Photoelectric[barn/atom]' labels += ' TotalCrossSection[barn/atom]\n' if not BARNS: labels = labels.replace("barn/atom", "cm2/g") factor = (1.0E-24*AVOGADRO_NUMBER)/EPDLParser.getAtomicWeights()[i-1] else: factor = 1.0 text += labels if 0: fformat = "%g %g %g %g %g %g\n" else: fformat = "%.6E %.6E %.6E %.6E %.6E %.6E\n" outfile.write(text) for n in range(len(energy)): line = fformat % (energy[n], cohe[n] * factor, incohe[n] * factor, (cohe[n]+incohe[n]) * factor, photo[n] * factor, total[n] * factor) outfile.write(line) outfile.write('\n') outfile.close() PyMca5-5.2.2/PyMca5/EPDL97/EADLParser.py0000644000276300001750000010313413136054446017171 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Software Group" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os __doc__ =\ """ The 1997 release of the Evaluated Atomic Data Library (EADL97) This module parses the EADL.DAT file that can be downloaded from: http://www-nds.iaea.org/epdl97/libsall.htm EADL contains atomic relaxation information for use in particle transport analysis for atomic number Z = 1-100 and for each subshell. The original units are in cm and MeV. The specific data are: - Subshell data a) number of electrons b) binding and kinetic energy (MeV) c) average radius (cm) d) radiative and non-radiative level widths (MeV) e) average number of released electrons and x-rays f) average energy of released electrons and x-rays (MeV) g) average energy to the residual atom, i.e., local deposition (MeV) - Transition probability data a) radiation transition probabilities b) non-radiative transition probabilities The data are organized in blocks with headers. The first line of the header: Columns Format Definition 1-3 I3 Z - atomic number 4-6 I3 A - mass number (in all cases=0 for elemental data) 8-9 I2 Yi - incident particle designator (7 is photon) 11-12 I2 Yo - outgoing particle designator (0, no particle 7, photon 8, positron 9, electron) 14-24 E11.4 AW - atomic mass (amu) 26-31 I6 Date of evaluation (YYMMDD) The second line of the header: Columns Format Definition 1-2 I2 C - reaction descriptor = 71, coherent scattering = 72, incoherent scattering = 73, photoelectric effect = 74, pair production = 75, triplet production = 91, subshell parameters = 92, transition probabilities = 93, whole atom parameters 3-5 I2 I - reaction property: = 0, integrated cross section = 10, avg. energy of Yo = 11, avg. energy to the residual atom = 912, number of electrons = 913, binding energy = 914, kinetic energy = 915, average radius = 921, radiative level width = 922, non-radiative level width = 931, radiative transition probability = 932, non-radiative transition probability = 933, particles per initial vacancy = 934, energy of particles per initial vacancy = 935, average energy to the residual atom, i.e. local deposition, per initial vacancy --- moved to EPDL97 --- = 941, form factor = 942, scattering function = 943, imaginary anomalous scatt. factor = 944, real anomalous scatt. factor 6-8 I3 S - reaction modifier: = 0 no X1 field data required = 91 X1 field data required 22-32 #11.4 X1 - subshell designator 0 if S is 0 if S is 91, subshell designator Summary of the EADL Data Base -------------------------------------------------------------------------- Yi C S X1 Yo I Data Types -------------------------------------------------------------------------- Subshell parameters -------------------------------------------------------------------------- 0 91 0 0. 0 912 number of electrons 0 91 0 0. 0 913 binding energy 0 91 0 0. 0 914 kinetic energy 0 91 0 0. 0 915 average radius 0 91 0 0. 0 921 radiative level width 0 91 0 0. 0 921 non-radiative level width -------------------------------------------------------------------------- Transititon probabilities -------------------------------------------------------------------------- 0 92 0 0. 0 935 average energy to the residual atom 0 92 0 0. 7 or 9 933 average number of particles per initial vacancy 0 92 0 0. 7 or 9 934 average energy of particles per initial vacancy 0 92 91 * 0 931 radiative transition probability 0 92 91 * 0 932 non-radiative transition probability --------------------------------------------------------------------------- Yi C S X1 Yo I Data Types -------------------------------------------------------------------------- * -> Subshell designator Data sorted in ascending order Z -> C -> S -> X1 -> Yo -> I """ import numpy #Translation from EADL index to actual shell (Table VI) import EADLSubshells SHELL_LIST = EADLSubshells.SHELL_LIST getSubshellFromValue = EADLSubshells.getSubshellFromValue getValueFromSubshell = EADLSubshells.getValueFromSubshell DEBUG = 0 AVOGADRO_NUMBER = 6.02214179E23 # Elements = ['H', 'He', 'Li', 'Be', 'B', 'C', 'N', 'O', 'F', 'Ne', 'Na', 'Mg', 'Al', 'Si', 'P', 'S', 'Cl', 'Ar', 'K', 'Ca', 'Sc', 'Ti', 'V', 'Cr', 'Mn', 'Fe', 'Co', 'Ni', 'Cu', 'Zn', 'Ga', 'Ge', 'As', 'Se', 'Br', 'Kr', 'Rb', 'Sr', 'Y', 'Zr', 'Nb', 'Mo', 'Tc', 'Ru', 'Rh', 'Pd', 'Ag', 'Cd', 'In', 'Sn', 'Sb', 'Te', 'I', 'Xe', 'Cs', 'Ba', 'La', 'Ce', 'Pr', 'Nd', 'Pm', 'Sm', 'Eu', 'Gd', 'Tb', 'Dy', 'Ho', 'Er', 'Tm', 'Yb', 'Lu', 'Hf', 'Ta', 'W', 'Re', 'Os', 'Ir', 'Pt', 'Au', 'Hg', 'Tl', 'Pb', 'Bi', 'Po', 'At', 'Rn', 'Fr', 'Ra', 'Ac', 'Th', 'Pa', 'U', 'Np', 'Pu', 'Am', 'Cm', 'Bk', 'Cf', 'Es', 'Fm', 'Md', 'No', 'Lr', 'Rf', 'Db', 'Sg', 'Bh', 'Hs', 'Mt'] #Read the EPDL library # Try to find it in the local directory EADL = os.path.join(os.path.dirname(__file__), 'EADL.DAT') if not os.path.exists(EADL): from PyMca5 import PyMcaDataDir EADL = os.path.join(PyMcaDataDir.PYMCA_DATA_DIR, 'EPDL97', 'EADL.DAT') infile = open(EADL, 'rb') if sys.version < '3.0': EADL97_DATA = infile.read() else: EADL97_DATA = infile.read().decode('UTF-8') infile.close() #speed up sequential access LAST_INDEX = -1 #properly write exponential notation #EADL97_DATA = EADL97_DATA.replace('- ', ' ') #EADL97_DATA = EADL97_DATA.replace('+ ', ' ') EADL97_DATA = EADL97_DATA.replace('- ', 'E-') EADL97_DATA = EADL97_DATA.replace('+ ', 'E+') #get rid of tabs if any EADL97_DATA = EADL97_DATA.replace('\t', ' ') #get rid of carriage returns if any EADL97_DATA = EADL97_DATA.replace('\r\n', '\n') EADL97_DATA = EADL97_DATA.split('\n') #Now I have a huge list with all the lines EADL97_ATOMIC_WEIGHTS = None def getParticle(value): """ Returns one of ['none', 'photon', 'positron', 'electron'] following the convention: 0 = no particle 7 = photon 8 = positron 9 = electron) """ if value == 7: return 'photon' if value == 0: return 'none' if value == 9: return 'electron' if value == 8: return 'positron' raise ValueError('Invalid particle code') def getReactionFromCode(value): """ The input value must be one of: 91, 92, 73, 74, 75 Returns one of coherent, incoherent, photoelectric, pair, triplet according to the integer EADL97 code of the reaction: 91 <-> subshell parameters 92 <-> transition probabilities 93 <-> whole atom parameters """ if value == 91: return 'subshell' if value == 92: return 'transition' raise ValueError('Invalid reaction descriptor code') def getReactionPropertyFromCode(value): """ The input value must be one of: 0, 10, 11, 941, 942, 943, 944 according to the integer EPDL97 code of the reaction property: 0 <-> integrated cross section 10 <-> avg. energy of Yo 11 <-> avg. energy to the residual atom 912 <-> number of electrons 913 <-> binding energy 914 <-> kinetic energy 915 <-> average radius 921 <-> radiative level width 922 <-> non-radiative level width 931 <-> radiative transition probability 932 <-> non-radiative transition probability 934 <-> energy of particles per initial vacancy 935 <-> average energy to the residual atom, i.e. 941 <-> form factor 942 <-> scattering function 943 <-> imaginary anomalous scatt. factor 944 <-> real anomalous scatt. factor """ if value == 0: return 'cross_section' if value == 10: return 'secondary_particle_energy' if value == 11: return 'atom_energy_transfer' if value == 912: return 'number_of_electrons' if value == 913: return 'binding_energy' if value == 914: return 'kinetic_energy' if value == 915: return 'average_radius' if value == 921: return 'radiative_level_width' if value == 922: return 'non-radiative_level_width' if value == 931: return 'radiative_transition_probability' if value == 932: return 'non-radiative_transition_probability' if value == 933: return 'particles_per_initial_vacancy' if value == 934: return 'energy_of_particles_per_initial_vacancy' if value == 935: return 'average_energy_to_the_residual_atom' if value == 941: return 'form_factor' if value == 942: return 'scattering_function' if value == 943: return 'imaginary_anomalous_scattering_factor' if value == 944: return 'real_anomalous_scattering_factor' raise ValueError('Invalid reaction property descriptor code') def parseHeader0(line): """ Columns Format Definition 1-3 I3 Z - atomic number 4-6 I3 A - mass number (in all cases=0 for elemental data) 8-9 I2 Yi - incident particle designator (7 is photon) 11-12 I2 Yo - outgoing particle designator (0, no particle 7, photon 8, positron 9, electron) 14-24 E11.4 AW - atomic mass (amu) 26-31 I6 Date of evaluation (YYMMDD) """ item0 = line[0:6] items = line[6:].split() Z = int(item0[0:3]) A = int(item0[3:6]) Yi = int(items[0]) Yo = int(items[1]) AW = float(items[2]) Date = items[4] ddict={} ddict['atomic_number'] = Z ddict['mass_number'] = A ddict['atomic_mass'] = AW ddict['incident_particle'] = getParticle(Yi) ddict['incident_particle_value'] = Yi ddict['outgoing_particle'] = getParticle(Yo) ddict['outgoing_particle_value'] = Yo ddict['date'] = Date ddict['Z'] = Z ddict['A'] = A ddict['Yi'] = Yi ddict['Yo'] = Yo ddict['AW'] = AW return ddict def parseHeader1(line): """ The second line of the header: Columns Format Definition 1-2 I2 C - reaction descriptor = 71, coherent scattering = 72, incoherent scattering = 73, photoelectric effect = 74, pair production = 75, triplet production = 91, subshell parameters = 92, transition probabilities = 93, whole atom parameters 3-5 I2 I - reaction property: = 0, integrated cross section = 10, avg. energy of Yo = 11, avg. energy to the residual atom = 912, number of electrons = 913, binding energy = 914, kinetic energy = 915, average radius = 921, radiative level width = 922, non-radiative level width = 931, radiative transition probability = 932, non-radiative transition probability = 934, energy of particles per initial vacancy = 935, average energy to the residual atom, i.e. local deposition, per initial vacancy --- moved to EPDL97 --- = 941, form factor = 942, scattering function = 943, imaginary anomalous scatt. factor = 944, real anomalous scatt. factor 6-8 I3 S - reaction modifier: = 0 no X1 field data required = 91 X1 field data required 22-32 #11.4 X1 - subshell designator 0 if S is 0 if S is 91, subshell designator """ item0 = line[0:6] items = line[6:].split() C = int(item0[0:2]) I = int(item0[2:6]) S = int(items[0]) #there seems to be some dummy number in between X1 = float(items[2]) ddict={} ddict['reaction_code'] = C ddict['reaction'] = getReactionFromCode(C) ddict['reaction_property'] = getReactionPropertyFromCode(I) ddict['reaction_property_code'] = I ddict['C'] = C ddict['I'] = I ddict['S'] = S ddict['X1'] = X1 if S == 91: ddict['subshell_code'] = X1 if X1 != 0.0: ddict['subshell'] = getSubshellFromValue(X1) else: ddict['subshell'] = 'none' elif (S == 0) and (X1 == 0.0): ddict['subshell_code'] = 0 ddict['subshell'] = 'none' else: print("Inconsistent data") print("X1 = ", X1, "S = ", S) sys.exit(1) return ddict def parseHeader(line0, line1): #print "line0 = ", line0 #print "line1 = ", line1 ddict = parseHeader0(line0) ddict.update(parseHeader1(line1)) return ddict if 0: ddict = parseHeader0(EADL97_DATA[0]) for key in ddict.keys(): print(key, ddict[key]) if 0: ddict = parseHeader1(EADL97_DATA[1]) for key in ddict.keys(): print(key, ddict[key]) def getDataLineIndex(lines, z, Yi, C, S, X1, Yo, I): global LAST_INDEX if (z < 1) or (z>100): raise ValueError("Invalid atomic number %d" % z) nlines = len(lines) i = LAST_INDEX while i < (nlines-1): i += 1 line = lines[i] if len(line.split()) < 9: """ i += 2 while len(lines[i+1].split()) != 1: print lines[i+1] if i>=5: sys.exit(0) i += 1 """ continue try: ddict = parseHeader(lines[i], lines[i+1]) except: print("Error with lines") print("line index = %d" % i) print(lines[i]) print(lines[i+1]) print(sys.exc_info()) raise if 0: print(ddict['Z'], z) print(ddict['Yi'], Yi) print(ddict['C'], C) print(ddict['S'], S) print(ddict['X1'], X1) print(ddict['Yo'], Yo) print(ddict['I'], I) if DEBUG: if ddict['Z'] == z: print("Z found") if ddict['Yi'] == Yi: print("Yi found") if ddict['C'] == C: print("C found") if ddict['S'] == S: print("S found with X1 = ", ddict['X1']) print("Requested X1 = ", X1) print(lines[i]) print(lines[i+1]) if ddict['X1'] == X1: print("Requested Yo = ", Yo) print("Found Yo = ", ddict['Yo']) if ddict['Yo'] == Yo: print("Requested I = ",I) if ddict['I'] == I: print("FOUND!") print(lines[i]) print(lines[i+1]) LAST_INDEX = i - 1 return i break else: if ddict['Z'] == z: if ddict['Yi'] == Yi: if ddict['C'] == C: if ddict['S'] == S: if ddict['X1'] == X1: if ddict['Yo'] == Yo: if ddict['I'] == I: LAST_INDEX = i - 1 return i break i += 1 if LAST_INDEX > 0: if DEBUG: print("REPEATING") LAST_INDEX = -1 return getDataLineIndex(lines, z, Yi, C, S, X1, Yo, I) return -1 def getActualDataFromLinesAndOffset(lines, index): data_begin = index + 2 data_end = index + 2 end_line = lines[data_end+1] while (len(end_line) != 72) and (end_line[-1] != '1'): data_end += 1 end_line = lines[data_end + 1] data_end += 1 if DEBUG: print("COMPLETE DATA SET") print(lines[index:data_end]) print("END DATA SET") print("ADDITIONAL LINE") print(lines[data_end]) print("END ADDITIONAL LINE") ndata = data_end - data_begin energy = numpy.zeros((ndata,), numpy.float) t = lines[data_begin].split() if len(t) == 2: value = numpy.zeros((ndata,), numpy.float) for i in range(ndata): t = lines[data_begin+i].split() energy[i] = float(t[0]) try: value[i] = float(t[1]) except ValueError: if ('E' not in t[1]) and (('+' in t[1]) or ('-' in t[1])): t[1] = t[1].replace('-','E-') t[1] = t[1].replace('+','E+') value[i] = float(t[1]) else: raise else: value = [] for i in range(ndata): t = lines[data_begin+i].split() energy[i] = float(t[0]) value.append([]) for j in range(0, len(t)-1): tj = t[j+1] try: value[i].append(float(tj)) except ValueError: if ('E' not in tj) and (('+' in tj) or ('-' in tj)): tj = tj.replace('-','E-') tj = tj.replace('+','E+') value[i].append(float(tj)) else: raise return energy, value def getBaseShellDict(nvalues=None): bad_shells = ['L (', 'L23', 'M (', 'M23', 'M45', 'N (', 'N23', 'N45', 'N67', 'O (', 'O23', 'O45', 'O67', 'O89', 'P (', 'P23', 'P45', 'P67', 'P89', 'P101', 'Q (', 'Q23', 'Q45', 'Q67'] ddict = {} for shell in SHELL_LIST: if shell[0:3] in bad_shells: continue if shell[0:4] in bad_shells: continue if nvalues is None: ddict[shell] = 0.0 else: ddict[shell] = [0.0] * nvalues return ddict def getBaseShellList(): bad_shells = ['L (', 'L23', 'M (', 'M23', 'M45', 'N (', 'N23', 'N45', 'N67', 'O (', 'O23', 'O45', 'O67', 'O89', 'P (', 'P23', 'P45', 'P67', 'P89', 'P101', 'Q (', 'Q23', 'Q45', 'Q67'] ddict = [] for shell in SHELL_LIST: if shell[0:3] in bad_shells: continue if shell[0:4] in bad_shells: continue ddict.append(shell) return ddict def getRadiativeWidths(z, lines=None): #Yi C S X1 Yo I #0 91 0 0. 0 921 Radiative widths ddict = getBaseShellDict() if z < 6: return ddict if lines is None: lines = EADL97_DATA index = getDataLineIndex(lines, z, 0, 91, 0, 0., 0, 921) if index < 0: raise IOError("Requested data not found") shell_codes, value = getActualDataFromLinesAndOffset(lines, index) if DEBUG: print("shell_codes, value ",shell_codes, value) i = 0 ddict = getBaseShellDict() for code in shell_codes: shell = getSubshellFromValue(code) ddict[shell] = value[i] i += 1 return ddict def getNonradiativeWidths(z, lines=None): #Yi C S X1 Yo I #0 91 0 0. 0 922 Nonradiative widths ddict = getBaseShellDict() if z < 6: return ddict if lines is None: lines = EADL97_DATA index = getDataLineIndex(lines, z, 0, 91, 0, 0., 0, 922) if index < 0: raise IOError("Requested data not found") shell_codes, value = getActualDataFromLinesAndOffset(lines, index) if DEBUG: print("shell_codes, value ",shell_codes, value) i = 0 ddict = getBaseShellDict() for code in shell_codes: shell = getSubshellFromValue(code) ddict[shell] = value[i] i += 1 return ddict def getRadiativeTransitionProbabilities(z, shell='K', lines=None): """ getRadiativeTransitionProbabilities(z, shell='K') Returns a dictionary with the radiative transition probabilities from any shell to the given shell. """ #Yi C S X1 Yo I #0 92 91 1. 7 931 K Shell #0 92 91 2. 7 931 L1 Shell #0 92 91 5. 7 931 L2 Shell #0 92 91 6. 7 931 L3 Shell #0 92 91 8. 7 931 M1 Shell #0 92 91 10. 7 931 M2 Shell #0 92 91 11. 7 931 M3 Shell #0 92 91 13. 7 931 M4 Shell #0 92 91 14. 7 931 M5 Shell ddict = getBaseShellDict(nvalues=2) if z < 6: return ddict if lines is None: lines = EADL97_DATA X1 = getValueFromSubshell(shell) index = getDataLineIndex(lines, z, 0, 92, 91, X1, 7, 931) if index < 0: #this error may happen when requesting non existing data too raise IOError("Requested data not found") shell_codes, values = getActualDataFromLinesAndOffset(lines, index) if DEBUG: print("shell_codes, values ",shell_codes, values) i = 0 ddict = getBaseShellDict(nvalues=2) for code in shell_codes: key = getSubshellFromValue(code) ddict[key] = values[i] i += 1 return ddict def getNonradiativeTransitionProbabilities(z, shell='K', lines=None): """ getNonradiativeTransitionProbabilities(z, shell='K') Returns the radiative transition probabilities and energies to the given shell. The output is a dictionary in IUPAC notation. """ #Yi C S X1 Yo I #0 92 91 1. 9 932 K Shell #0 92 91 2. 9 932 L1 Shell #0 92 91 5. 9 932 L2 Shell #0 92 91 6. 9 932 L3 Shell #0 92 91 8. 9 932 M1 Shell #0 92 91 10. 9 932 M2 Shell #0 92 91 11. 9 932 M3 Shell #0 92 91 13. 9 932 M4 Shell #0 92 91 14. 9 932 M5 Shell ddict = getBaseShellDict() #if z < 6: # return ddict if lines is None: lines = EADL97_DATA X1 = getValueFromSubshell(shell) index = getDataLineIndex(lines, z, 0, 92, 91, X1, 9, 932) if index < 0: #this error may happen when requesting non existing data too raise IOError("Requested data not found") shell_codes, values = getActualDataFromLinesAndOffset(lines, index) if DEBUG: print("shell_codes, values ",shell_codes, values) i = 0 ddict = {}#getBaseShellDict() for code in shell_codes: key1 = getSubshellFromValue(code).split()[0] key2 = getSubshellFromValue(values[i][0]).split()[0] ddict[shell+'-'+key1+key2] = values[i][1:] i += 1 return ddict #The usefull stuff def getBindingEnergies(z, lines=None): """ getBindingEnergies(z) Returns the binding energies in MeV """ #Yi C S X1 Yo I #0 91 0 0. 0 913 if lines is None: lines = EADL97_DATA index = getDataLineIndex(lines, z, 0, 91, 0, 0., 0, 913) if index < 0: raise IOError("Requested data not found") shell_codes, value = getActualDataFromLinesAndOffset(lines, index) if DEBUG: print("shell_codes, value ",shell_codes, value) i = 0 ddict = getBaseShellDict() for code in shell_codes: shell = getSubshellFromValue(code) ddict[shell] = value[i] i += 1 return ddict def getFluorescenceYields(z, lines=None): if lines is None: lines = EADL97_DATA radiative_dict = getRadiativeWidths(z, lines) nonradiative_dict = getNonradiativeWidths(z, lines) ddict={} for key in radiative_dict.keys(): x = radiative_dict[key] a = nonradiative_dict[key] if ( x > 0.0) or ( a > 0.0): ddict[key] = x / (a + x) return ddict def getCosterKronigYields(z, shell='L1', lines=None): """ getCosterKronigYields(z, shell='L1') Returns the non-zero Coster-Kronig yields as keys of a dictionnary or just an empty dictionnary. """ if lines is None: lines = EADL97_DATA #radiative_dict = getRadiativeWidths(z, lines) #nonradiative_dict = getNonradiativeWidths(z, lines) probabilities = getNonradiativeTransitionProbabilities(z, shell=shell, lines=lines) ddict = {} for key in probabilities: items = key.split('-') if items[0] != shell: raise ValueError("Inconsistent data!") if items[0][0] == items[1][0]: #coster kronig transition = 'f'+ items[0][1] + items[1][1] if transition not in ddict.keys(): ddict[transition] = 0.0 ddict[transition] += probabilities[key][0] return ddict def getLShellCosterKronigYields(z, lines=None): """ getLShellCosterKronigYields(z) Returns the L-shell Coster-Kronig yields of an element as keys of a dictionnary """ ddict = {} ddict['f12'] = 0.0 ddict['f13'] = 0.0 ddict['f23'] = 0.0 for i in range(2): shell = 'L%d' % (i+1) try: ddict.update(getCosterKronigYields(z, shell=shell)) except IOError: pass return ddict def getMShellCosterKronigYields(z, lines=None): """ getMShellCosterKronigYields(z) Returns the M-shell Coster-Kronig yields of an element as keys of a dictionnary. It does not check for physical meaning. So, it will give zeroes when needed. """ ddict = {} for i in range(1, 5): for j in range(i+1, 6): key = 'f%d%d' % (i,j) ddict[key] = 0.0 shell = 'M%d' % i try: ddict.update(getCosterKronigYields(z, shell=shell)) except IOError: pass return ddict def getAtomicWeights(): global EADL97_ATOMIC_WEIGHTS if EADL97_ATOMIC_WEIGHTS is None: lines = EADL97_DATA i = 1 EADL97_ATOMIC_WEIGHTS = numpy.zeros((len(Elements),), numpy.float) for line in lines: if line.startswith('%3d000 ' % i): ddict0 = parseHeader0(line) EADL97_ATOMIC_WEIGHTS[i-1] = ddict0['atomic_mass'] i += 1 return EADL97_ATOMIC_WEIGHTS * 1 if __name__ == "__main__": if len(sys.argv) > 1: element = sys.argv[1] else: element = 'Pb' print("Getting binding energies for element %s" % element) ddict = getBindingEnergies(Elements.index(element)+1) for key in getBaseShellList(): if ddict[key] > 0.0: print("Shell = %s Energy (keV) = %.7E" % (key, ddict[key] * 1000.)) print("Getting fluorescence yields for element %s" % element) ddict = getFluorescenceYields(Elements.index(element)+1) for key in getBaseShellList(): if key in ddict: if ddict[key] > 0.0: print("Shell = %s Yield = %.7E" % (key, ddict[key])) #total_emission = 0.0 for shell in ['K', 'L1', 'L2', 'L3', 'M1', 'M2', 'M3', 'M4', 'M5']: try: ddict = getRadiativeTransitionProbabilities(Elements.index(element)+1, shell=shell) print("%s Shell radiative emission probabilities " % shell) except IOError: continue total = 0.0 for key in getBaseShellList(): if key in ddict: if ddict[key][0] > 0.0: print("Shell = %s Yield = %.7E Energy = %.7E" % (key, ddict[key][0], ddict[key][1] * 1000.)) total += ddict[key][0] print("Total %s-shell emission probability = %.7E" % (shell, total)) #total_emission += total #print "total_emission = ", total_emission for shell in ['K', 'L1', 'L2', 'L3', 'M1', 'M2', 'M3', 'M4', 'M5']: try: ddict = getNonradiativeTransitionProbabilities(Elements.index(element)+1, shell=shell) print("%s Shell Nonradiative emission probabilities " % shell) except IOError: continue total = 0.0 shell_list = getBaseShellList() for key0 in shell_list: for key1 in shell_list: key = "%s-%s%s" % (shell, key0.split()[0], key1.split()[0]) if key in ddict: if ddict[key][0] > 0.0: print("Shell = %s Yield = %.7E Energy = %.7E" %\ (key, ddict[key][0], ddict[key][1] * 1000.)) total += ddict[key][0] print("Total %s-shell non-radiative emission probability = %.7E" % (shell, total)) if shell in ['K']: for key0 in ['L1', 'L2' ,'L3']: subtotal = 0.0 for key1 in shell_list: tmpKey = key1.split()[0] key = "%s-%s%s" % (shell, key0, tmpKey) if key in ddict: if ddict[key][0] > 0.0: subtotal += ddict[key][0] if tmpKey == key0: subtotal += ddict[key][0] print("%s vacancies for nonradiative transition to %s shell = %.7E"%\ (key0, shell, subtotal)) #print(getNonradiativeTransitionProbabilities(Elements.index(element)+1, 'L1')) print(getMShellCosterKronigYields(Elements.index(element)+1)) print("atomic weight = ", getAtomicWeights()[Elements.index(element)]) sys.exit(0) PyMca5-5.2.2/PyMca5/EPDL97/LICENSE0000644000276300001750000000313713136054446015744 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __doc__=""" These Python modules have been developed by V.A. Sole, from the European Synchrotron Radiation Facility (ESRF) to make the EADL and EPDL97 libraries easily accessible from Python. """ PyMca5-5.2.2/PyMca5/EPDL97/GenerateEADLBindingEnergies.py0000644000276300001750000001007613136054446022446 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" __doc__= "Generate specfile with EADL97 binding energies in keV" import os import sys import EADLParser Elements = ['H', 'He', 'Li', 'Be', 'B', 'C', 'N', 'O', 'F', 'Ne', 'Na', 'Mg', 'Al', 'Si', 'P', 'S', 'Cl', 'Ar', 'K', 'Ca', 'Sc', 'Ti', 'V', 'Cr', 'Mn', 'Fe', 'Co', 'Ni', 'Cu', 'Zn', 'Ga', 'Ge', 'As', 'Se', 'Br', 'Kr', 'Rb', 'Sr', 'Y', 'Zr', 'Nb', 'Mo', 'Tc', 'Ru', 'Rh', 'Pd', 'Ag', 'Cd', 'In', 'Sn', 'Sb', 'Te', 'I', 'Xe', 'Cs', 'Ba', 'La', 'Ce', 'Pr', 'Nd', 'Pm', 'Sm', 'Eu', 'Gd', 'Tb', 'Dy', 'Ho', 'Er', 'Tm', 'Yb', 'Lu', 'Hf', 'Ta', 'W', 'Re', 'Os', 'Ir', 'Pt', 'Au', 'Hg', 'Tl', 'Pb', 'Bi', 'Po', 'At', 'Rn', 'Fr', 'Ra', 'Ac', 'Th', 'Pa', 'U', 'Np', 'Pu', 'Am', 'Cm', 'Bk', 'Cf', 'Es', 'Fm', 'Md', 'No', 'Lr', 'Rf', 'Db', 'Sg', 'Bh', 'Hs', 'Mt'] def getHeader(filename): text = '#F %s\n' % filename text += '#U00 This file is a conversion to specfile format of \n' text += '#U01 directly extracted EADL97 Binding energies.\n' text += '#U02 EADL itself can be found at:\n' text += '#U03 http://www-nds.iaea.org/epdl97/libsall.htm\n' text += '#U04 The code used to generate this file has been:\n' text += '#U05 %s\n' % os.path.basename(__file__) text += '#U06\n' text += '\n' return text if __name__ == "__main__": if len(sys.argv) > 1: fname = sys.argv[1] else: fname = "EADL97_BindingEnergies.dat" if os.path.exists(fname): os.remove(fname) outfile = open(fname, 'wb') outfile.write(getHeader(fname)) shells = EADLParser.getBaseShellList() LONG_LABEL = True for i in range(1,101): print(i, Elements[i-1]) if i == 1: text = '#S 1 Binding energies in keV\n' label_text = "" n = 0 for label in shells: if LONG_LABEL: label_text += " "+label.replace(' ','') else: label_text += ' %s' % label.replace(' ','').split("(")[0] n += 1 text += '#N %d\n' % n text += '#L Z' + label_text text += '\n' outfile.write(text) text = "%d" % i ddict = EADLParser.getBindingEnergies(i) for shell in shells: text += ' %.7E' % (ddict[shell] * 1000.) text += '\n' outfile.write(text) outfile.write("\n") outfile.close() PyMca5-5.2.2/PyMca5/EPDL97/GenerateEADLShellConstants.py0000644000276300001750000001771013136054446022360 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" __doc__= "Generate specfiles with EADL97 shell constans" import os import EADLParser Elements = ['H', 'He', 'Li', 'Be', 'B', 'C', 'N', 'O', 'F', 'Ne', 'Na', 'Mg', 'Al', 'Si', 'P', 'S', 'Cl', 'Ar', 'K', 'Ca', 'Sc', 'Ti', 'V', 'Cr', 'Mn', 'Fe', 'Co', 'Ni', 'Cu', 'Zn', 'Ga', 'Ge', 'As', 'Se', 'Br', 'Kr', 'Rb', 'Sr', 'Y', 'Zr', 'Nb', 'Mo', 'Tc', 'Ru', 'Rh', 'Pd', 'Ag', 'Cd', 'In', 'Sn', 'Sb', 'Te', 'I', 'Xe', 'Cs', 'Ba', 'La', 'Ce', 'Pr', 'Nd', 'Pm', 'Sm', 'Eu', 'Gd', 'Tb', 'Dy', 'Ho', 'Er', 'Tm', 'Yb', 'Lu', 'Hf', 'Ta', 'W', 'Re', 'Os', 'Ir', 'Pt', 'Au', 'Hg', 'Tl', 'Pb', 'Bi', 'Po', 'At', 'Rn', 'Fr', 'Ra', 'Ac', 'Th', 'Pa', 'U', 'Np', 'Pu', 'Am', 'Cm', 'Bk', 'Cf', 'Es', 'Fm', 'Md', 'No', 'Lr', 'Rf', 'Db', 'Sg', 'Bh', 'Hs', 'Mt'] def getHeader(filename): text = '#F %s\n' % filename text += '#U00 This file is a conversion to specfile format of \n' text += '#U01 directly extracted EADL97 Shell constants.\n' text += '#U02 EADL itself can be found at:\n' text += '#U03 http://www-nds.iaea.org/epdl97/libsall.htm\n' text += '#U04 The code used to generate this file has been:\n' text += '#U05 %s\n' % os.path.basename(__file__) text += '#U06\n' text += '\n' return text if __name__ == "__main__": #K Shell fname = "EADL97_KShellConstants.dat" if os.path.exists(fname): os.remove(fname) outfile = open(fname, 'wb') outfile.write(getHeader(fname)) for i in range(1,101): #for i in range(82,83): print("%d %s" % (i, Elements[i-1])) if i == 1: text = '#S 1 K Shell Fluorescence Yields\n' label_text = "" n = 1 label_text += ' omegaK' n += 1 text += '#N %d\n' % n text += '#L Z' + label_text text += '\n' outfile.write(text) text = "%d" % i ddict = EADLParser.getFluorescenceYields(i) value = ddict.get('K (1s1/2)', 0.0) text += ' %.4E' % (value) text += '\n' outfile.write(text) outfile.write("\n") outfile.close() #L Shell fname = "EADL97_LShellConstants.dat" if os.path.exists(fname): os.remove(fname) outfile = open(fname, 'wb') outfile.write(getHeader(fname)) shell_list = ['L1 (2s1/2)', 'L2 (2p1/2)', 'L3 (2p3/2)'] for nshell in range(1,4): shell = shell_list[nshell-1] for i in range(1,101): #for i in range(82,83): print("%d %s" % (i, Elements[i-1])) if i == 1: text = '#S %s %s x-ray data\n' % (shell[1], shell[0:2]) label_text = "" n = 1 if nshell == 1: label_text += ' f12 f13 omegaL1' n += 3 elif nshell == 2: label_text += ' f23 omegaL2' n += 2 else: label_text += ' omegaL3' n += 1 text += '#N %d\n' % n text += '#L Z' + label_text text += '\n' outfile.write(text) text = "%d" % i ddict = EADLParser.getFluorescenceYields(i) ddict.update(EADLParser.getLShellCosterKronigYields(i)) omega = ddict.get(shell, 0.0) if nshell == 1: f12 = ddict.get('f12', 0.0) f13 = ddict.get('f13', 0.0) text += ' %.4E %.4E %.4E\n' % (f12, f13, omega) elif nshell == 2: f23 = ddict.get('f23', 0.0) text += ' %.4E %.4E\n' % (f23, omega) elif nshell == 3: text += ' %.4E\n' % (omega) outfile.write(text) outfile.write("\n") outfile.close() #M Shell fname = "EADL97_MShellConstants.dat" if os.path.exists(fname): os.remove(fname) outfile = open(fname, 'wb') outfile.write(getHeader(fname)) shell_list = ['M1 (3s1/2)', 'M2 (3p1/2)', 'M3 (3p3/2)', 'M4 (3d3/2)', 'M5 (3d5/2)'] for nshell in range(1,6): shell = shell_list[nshell-1] for i in range(1,101): #for i in range(82,83): print("%d %s" % (i, Elements[i-1])) if i == 1: text = '#S %s %s x-ray data\n' % (shell[1], shell[0:2]) label_text = "" n = 1 if nshell == 1: label_text += ' f12 f13 f14 f15 omegaM1' n += 5 elif nshell == 2: label_text += ' f23 f24 f25 omegaM2' n += 4 elif nshell == 3: label_text += ' f34 f35 omegaM3' n += 3 elif nshell == 4: label_text += ' f45 omegaM4' n += 2 else: label_text += ' omegaM5' n += 1 text += '#N %d\n' % n text += '#L Z' + label_text text += '\n' outfile.write(text) text = "%d" % i ddict = EADLParser.getFluorescenceYields(i) ddict.update(EADLParser.getMShellCosterKronigYields(i)) omega = ddict.get(shell, 0.0) if nshell == 1: f12 = ddict.get('f12', 0.0) f13 = ddict.get('f13', 0.0) f14 = ddict.get('f14', 0.0) f15 = ddict.get('f15', 0.0) text += ' %.4E %.4E %.4E %.4E %.4E\n' % (f12, f13, f14, f15, omega) elif nshell == 2: f23 = ddict.get('f23', 0.0) f24 = ddict.get('f24', 0.0) f25 = ddict.get('f25', 0.0) text += ' %.4E %.4E %.4E %.4E\n' % (f23, f24, f25, omega) elif nshell == 3: f34 = ddict.get('f34', 0.0) f35 = ddict.get('f35', 0.0) text += ' %.4E %.4E %.4E\n' % (f34, f35, omega) elif nshell == 4: f45 = ddict.get('f45', 0.0) text += ' %.4E %.4E\n' % (f45, omega) else: text += ' %.4E\n' % (omega) outfile.write(text) outfile.write("\n") outfile.close() PyMca5-5.2.2/PyMca5/EPDL97/EPDL97Parser.py0000644000276300001750000007037413136054446017401 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os __doc__ =\ """ The 1997 release of the Evaluated Photon Data Library (EPDL97) This module parses the EPDL97.DAT that can be downloaded from: http://www-nds.iaea.org/epdl97/libsall.htm EPDL contains complete information for particle transport for atomic number Z = 1-100. The incident photon energy range goes down to 1 eV. The original units are in barns and MeV. The specific data are: - Coherent scattering a) integrated cross section b) form factor c) real and imaginary anomalous scattering factors d) average energy of the scattered photon (MeV) - Incoherent scattering a) integrated cross section b) scattering function c) average energy of the scattered photon and recoil electron (MeV) - Total photoelectric reaction a) integrated cross section b) average energy of the residual atom, i.e. local deposition (MeV) c) average energy of the secondary photons and electrons (MeV) - Photoelectric reaction, by subshell a) integrated cross section b) average energy of the residual atom, i.e. local deposition (MeV) c) average energy of the secondary photons and electrons (MeV) - Pair production cross section a) integrated cross section b) average energy of the secondary electron and positron (MeV) - Triplet production reaction a) integrated cross section b) average energy of the secondary electron and positron (MeV) Photoelectric data are only for photo-ionization. Photo-excitation data is distributed in the separated library EXDL (the Evaluation eXcitation Data Library). Edges are consistant between EADL, EEDL and EPDL. The data are organized in blocks with headers. The first line of the header: Columns Format Definition 1-3 I3 Z - atomic number 4-6 I3 A - mass number (in all cases=0 for elemental data) 8-9 I2 Yi - incident particle designator (7 is photon) 11-12 I2 Yo - outgoing particle designator (0, no particle 7, photon 8, positron 9, electron) 14-24 E11.4 AW - atomic mass (amu) 26-31 I6 Date of evaluation (YYMMDD) 32 I1 Iflag - Interpolation flag: = 0 or 2, linear in x and y = 3, logarithmic in x, linear in y = 4, linear in x, logarithmic in y = 5, logarithmic in x and y The second line of the header: Columns Format Definition 1-2 I2 C - reaction descriptor = 71, coherent scattering = 72, incoherent scattering = 73, photoelectric effect = 74, pair production = 75, triplet production = 93, whole atom parameters 3-5 I2 I - reaction property: = 0, integrated cross section = 10, avg. energy of Yo = 11, avg. energy to the residual atom = 941, form factor = 942, scattering function = 943, imaginary anomalous scatt. factor = 944, real anomalous scatt. factor 6-8 I3 S - reaction modifier: = 0 no X1 field data required = 91 X1 field data required 22-32 #11.4 X1 - subshell designator 0 if S is 0 if S is 91, subshell designator Summary of the EPDL Data Base -------------------------------------------------------------------------- Yi C S X1 Yo I Data Types -------------------------------------------------------------------------- Coherent scattering -------------------------------------------------------------------------- 7 71 0 0. 0 0 integrated coherent cross section 7 93 0 0. 0 941 form factor 7 93 0 0. 0 943 imaginary anomalous scatt. factor 7 93 0 0. 0 943 real anomalous scatt. factor 7 71 0 0. 7 10 avg. energy of the scattered photon -------------------------------------------------------------------------- Incoherent scattering -------------------------------------------------------------------------- 7 72 0 0. 0 0 integrated incoherent cross section 7 72 0 0. 0 942 scattering function 7 72 0 0. 7 10 avg. energy of the scattered photon 7 72 0 0. 9 10 avg. energy of the recoil electron -------------------------------------------------------------------------- Photoelectric -------------------------------------------------------------------------- 7 73 0 0. 0 0 integrated photoelectric cross section 7 73 0 0. 0 11 avg. energy to the residual atom 7 73 0 0. 7 10 avg. energy of the secondary photons 7 73 0 0. 9 10 avg. energy of the secondary electrons -------------------------------------------------------------------------- Photoelectric (by subshell) -------------------------------------------------------------------------- 7 73 91 * 0 0 integrated photoelectric cross section 7 73 91 * 0 11 avg. energy to the residual atom 7 73 91 * 7 10 avg. energy of the secondary photons 7 73 91 * 9 10 avg. energy of the secondary electrons -------------------------------------------------------------------------- Pair production -------------------------------------------------------------------------- 7 74 0 0. 0 0 integrated pair production cross section 7 74 0 0. 8 10 avg. energy of the secondary positron 7 74 0 0. 9 10 avg. energy of the secondary electron -------------------------------------------------------------------------- Triplet production -------------------------------------------------------------------------- 7 75 0 0. 0 0 integrated triplet production cross section 7 75 0 0. 8 10 avg. energy of the secondary positron 7 75 0 0. 9 10 avg. energy of the secondary electron --------------------------------------------------------------------------- Yi C S X1 Yo I Data Types -------------------------------------------------------------------------- * -> Subshell designator Data sorted in ascending order Z -> C -> S -> X1 -> Yo -> I """ import numpy Elements = ['H', 'He', 'Li', 'Be', 'B', 'C', 'N', 'O', 'F', 'Ne', 'Na', 'Mg', 'Al', 'Si', 'P', 'S', 'Cl', 'Ar', 'K', 'Ca', 'Sc', 'Ti', 'V', 'Cr', 'Mn', 'Fe', 'Co', 'Ni', 'Cu', 'Zn', 'Ga', 'Ge', 'As', 'Se', 'Br', 'Kr', 'Rb', 'Sr', 'Y', 'Zr', 'Nb', 'Mo', 'Tc', 'Ru', 'Rh', 'Pd', 'Ag', 'Cd', 'In', 'Sn', 'Sb', 'Te', 'I', 'Xe', 'Cs', 'Ba', 'La', 'Ce', 'Pr', 'Nd', 'Pm', 'Sm', 'Eu', 'Gd', 'Tb', 'Dy', 'Ho', 'Er', 'Tm', 'Yb', 'Lu', 'Hf', 'Ta', 'W', 'Re', 'Os', 'Ir', 'Pt', 'Au', 'Hg', 'Tl', 'Pb', 'Bi', 'Po', 'At', 'Rn', 'Fr', 'Ra', 'Ac', 'Th', 'Pa', 'U', 'Np', 'Pu', 'Am', 'Cm', 'Bk', 'Cf', 'Es', 'Fm', 'Md', 'No', 'Lr', 'Rf', 'Db', 'Sg', 'Bh', 'Hs', 'Mt'] #Translation from EADL index to actual shell (Table VI) import EADLSubshells SHELL_LIST = EADLSubshells getSubshellFromValue = EADLSubshells.getSubshellFromValue getValueFromSubshell = EADLSubshells.getValueFromSubshell DEBUG = 0 AVOGADRO_NUMBER = 6.02214179E23 #Read the EPDL library # Try to find it in the local directory EPDL = os.path.join(os.path.dirname(__file__), 'EPDL97.DAT') if not os.path.exists(EPDL): from PyMca5 import PyMcaDataDir EPDL = os.path.join(PyMcaDataDir.PYMCA_DATA_DIR, 'EPDL97', 'EPDL97.DAT') infile = open(EPDL, 'rb') EPDL97_DATA = infile.read() infile.close() #speed up sequential access LAST_INDEX = -1 #properly write exponential notation EPDL97_DATA = EPDL97_DATA.replace('-', 'E-') EPDL97_DATA = EPDL97_DATA.replace('+', 'E+') #get rid of tabs if any EPDL97_DATA = EPDL97_DATA.replace('\t', ' ') #get rid of carriage returns if any EPDL97_DATA = EPDL97_DATA.replace('\r\n', '\n') EPDL97_DATA = EPDL97_DATA.split('\n') #Now I have a huge list with all the lines EPDL97_ATOMIC_WEIGHTS = None def getParticle(value): """ Returns one of ['none', 'photon', 'positron', 'electron'] following the convention: 0 = no particle 7 = photon 8 = positron 9 = electron) """ if value == 7: return 'photon' if value == 0: return 'none' if value == 9: return 'electron' if value == 8: return 'positron' raise ValueError('Invalid particle code') def getInterpolationType(value): """ Returns one of ['lin-lin', 'log-lin', 'lin-log', 'log-log'] following the convention: 0 or 2, linear in x and y -> returns lin-lin 3, logarithmic in x, linear in y -> returns log-lin 4, linear in x, logarithmic in y -> returns lin-log 5, logarithmic in x and y -> returns log-log """ if value in [0, 2]: return 'lin-lin' if value == 3: return 'log-lin' if value == 4: return 'lin-log' if value == 5: return 'log-log' raise ValueError('Invalid interpolation flag') def getReactionFromCode(value): """ The input value must be one of: 71, 72, 73, 74, 75 Returns one of coherent, incoherent, photoelectric, pair, triplet according to the integer EPDL97 code of the reaction: 71 <-> coherent scattering 72 <-> incoherent scattering 73 <-> photoelectric effect 74 <-> pair production 75 <-> triplet production 93 <-> whole atom parameters """ if value == 71: return 'coherent' if value == 72: return 'incoherent' if value in [73, 93]: return 'photoelectric' if value == 74: return 'pair' if value == 75: return 'triplet' raise ValueError('Invalid reaction descriptor code') def getReactionPropertyFromCode(value): """ The input value must be one of: 0, 10, 11, 941, 942, 943, 944 according to the integer EPDL97 code of the reaction property: 0 <-> integrated cross section 10 <-> avg. energy of secondary particle Yo 11 <-> avg. energy to the residual atom 941 <-> form factor 942 <-> scattering function 943 <-> imaginary anomalous scatt. factor 944 <-> real anomalous scatt. factor """ if value == 0: return 'cross_section' if value == 10: return 'secondary_particle_energy' if value == 11: return 'atom_energy_transfer' if value == 941: return 'form_factor' if value == 942: return 'scattering_function' if value == 943: return 'imaginary_anomalous_scattering_factor' if value == 944: return 'real_anomalous_scattering_factor' raise ValueError('Invalid reaction property descriptor code') def getCodeFromReaction(text): """ The input text must be one of: coherent, incoherent, photoelectric, subshell_photoelectric, pair, triplet Returns the integer EPDL97 code of the reaction: 71 <-> coherent scattering 72 <-> incoherent scattering 73 <-> photoelectric effect 74 <-> pair production 75 <-> triplet production 93 <-> whole atom parameters """ tmp = text.lower() if 'coherent' in tmp: return 71 if 'incoherent' in tmp: return 72 if 'photo' in tmp: return 73 if 'pair' in tmp: return 74 if 'triplet' in tmp: return 75 raise ValueError('Invalid reaction') def parseHeader0(line): """ Columns Format Definition 1-3 I3 Z - atomic number 4-6 I3 A - mass number (in all cases=0 for elemental data) 8-9 I2 Yi - incident particle designator (7 is photon) 11-12 I2 Yo - outgoing particle designator (0, no particle 7, photon 8, positron 9, electron) 14-24 E11.4 AW - atomic mass (amu) 26-31 I6 Date of evaluation (YYMMDD) 32 I1 Iflag - Interpolation flag: = 0 or 2, linear in x and y = 3, logarithmic in x, linear in y = 4, linear in x, logarithmic in y = 5, logarithmic in x and y """ item0 = line[0:6] items = line[6:].split() Z = int(item0[0:3]) A = int(item0[3:6]) Yi = int(items[0]) Yo = int(items[1]) AW = float(items[2]) Date = items[3] Iflag = int(items[4]) ddict={} ddict['atomic_number'] = Z ddict['mass_number'] = A ddict['atomic_mass'] = AW ddict['incident_particle'] = getParticle(Yi) ddict['incident_particle_value'] = Yi ddict['outgoing_particle'] = getParticle(Yo) ddict['outgoing_particle_value'] = Yo ddict['date'] = Date ddict['interpolation_type'] = getInterpolationType(Iflag) ddict['interpolation_flag'] = Iflag ddict['Z'] = Z ddict['A'] = A ddict['Yi'] = Yi ddict['Yo'] = Yo ddict['AW'] = AW return ddict def parseHeader1(line): """ The second line of the header: Columns Format Definition 1-2 I2 C - reaction descriptor = 71, coherent scattering = 72, incoherent scattering = 73, photoelectric effect = 74, pair production = 75, triplet production = 93, whole atom parameters 3-5 I2 I - reaction property: = 0, integrated cross section = 10, avg. energy of Yo = 11, avg. energy to the residual atom = 941, form factor = 942, scattering function = 943, imaginary anomalous scatt. factor = 944, real anomalous scatt. factor 6-8 I3 S - reaction modifier: = 0 no X1 field data required = 91 X1 field data required 22-32 #11.4 X1 - subshell designator 0 if S is 0 if S is 91, subshell designator """ item0 = line[0:6] items = line[6:].split() C = int(item0[0:2]) I = int(item0[2:6]) S = int(items[0]) #there seems to be some dummy number in between X1 = float(items[2]) ddict={} ddict['reaction_code'] = C ddict['reaction'] = getReactionFromCode(C) ddict['reaction_property'] = getReactionPropertyFromCode(I) ddict['reaction_property_code'] = I ddict['C'] = C ddict['I'] = I ddict['S'] = S ddict['X1'] = X1 if S == 91: ddict['subshell_code'] = X1 if X1 != 0.0: ddict['subshell'] = getSubshellFromValue(X1) else: ddict['subshell'] = 'none' elif (S == 0) and (X1 == 0.0): ddict['subshell_code'] = 0 ddict['subshell'] = 'none' else: print("Inconsistent data") print("X1 = ", X1, "S = ", S) sys.exit(1) return ddict def parseHeader(line0, line1): #print("line0 = ", line0) #print("line1 = ", line1) ddict = parseHeader0(line0) ddict.update(parseHeader1(line1)) return ddict if 0: ddict = parseHeader0(EPDL97_DATA[0]) for key in ddict.keys(): print(key, ddict[key]) if 0: ddict = parseHeader1(EPDL97_DATA[1]) for key in ddict.keys(): print (key, ddict[key]) def getDataLineIndex(lines, z, Yi, C, S, X1, Yo, I, getmode=True): global LAST_INDEX if (z < 1) or (z>100): raise ValueError("Invalid atomic number") nlines = len(lines) i = LAST_INDEX while i < (nlines-1): i += 1 line = lines[i] if len(line.split()) < 4: continue try: ddict = parseHeader(lines[i], lines[i+1]) except: print("Error with lines") print(lines[i]) print(lines[i+1]) print(sys.exc_info()) raise if 0: print(ddict['Z'], z) print(ddict['Yi'], Yi) print(ddict['C'], C) print(ddict['S'], S) print(ddict['X1'], X1) print(ddict['Yo'], Yo) print(ddict['I'], I) if DEBUG: if ddict['Z'] == z: print("Z found") if ddict['Yi'] == Yi: print("Yi found") if ddict['C'] == C: print("C found") if ddict['S'] == S: print("S found with X1 = ", ddict['X1']) print("Requested X1 = ", X1) print(lines[i]) print(lines[i+1]) if ddict['X1'] == X1: if ddict['Yo'] == Yo: if ddict['I'] == I: print("FOUND!") print(lines[i]) print(lines[i+1]) LAST_INDEX = i - 1 if getmode: return i, ddict['interpolation_type'] else: return i break else: if ddict['Z'] == z: if ddict['Yi'] == Yi: if ddict['C'] == C: if ddict['S'] == S: if ddict['X1'] == X1: if ddict['Yo'] == Yo: if ddict['I'] == I: LAST_INDEX = i - 1 if getmode: return i, ddict['interpolation_type'] else: return i break i += 1 if LAST_INDEX > 0: if DEBUG: print("REPEATING") LAST_INDEX = -1 return getDataLineIndex(lines, z, Yi, C, S, X1, Yo, I, getmode=getmode) if getmode: return -1, 'lin-lin' else: return -1 def getActualDataFromLinesAndOffset(lines, index): data_begin = index + 2 data_end = index + 2 while len(lines[data_end].split()) == 2: data_end += 1 if DEBUG: print("COMPLETE DATA SET") print(lines[index:data_end]) print("END DATA SET") print(lines[data_end]) print("ADDITIONAL LINE") ndata = data_end - data_begin energy = numpy.zeros((ndata,), numpy.float) value = numpy.zeros((ndata,), numpy.float) for i in range(ndata): t = lines[data_begin+i].split() energy[i] = float(t[0]) value[i] = float(t[1]) #print "OBTAINED INDEX = ", index #print lines[index:index+10] return energy, value def getAtomicWeights(): global EPDL97_ATOMIC_WEIGHTS if EPDL97_ATOMIC_WEIGHTS is None: lines = EPDL97_DATA i = 1 EPDL97_ATOMIC_WEIGHTS = numpy.zeros((len(Elements),), numpy.float) for line in lines: if line.startswith('%3d000 ' % i): ddict0 = parseHeader0(line) EPDL97_ATOMIC_WEIGHTS[i-1] = ddict0['atomic_mass'] i += 1 return EPDL97_ATOMIC_WEIGHTS * 1 def getTotalCoherentCrossSection(z, lines=None, getmode=False): #Yi C S X1 Yo I #7 71 0 0. 0 0 if lines is None: lines = EPDL97_DATA index, mode = getDataLineIndex(lines, z, 7, 71, 0, 0., 0, 0, getmode=True) if index < 0: raise IOError("Requested data not found") energy, value = getActualDataFromLinesAndOffset(lines, index) if getmode: return energy, value, mode else: return energy, value def getTotalIncoherentCrossSection(z, lines=None, getmode=False): #Yi C S X1 Yo I #7 72 0 0. 0 0 if lines is None: lines = EPDL97_DATA index, mode = getDataLineIndex(lines, z, 7, 72, 0, 0., 0, 0, getmode=True) if index < 0: raise IOError("Requested data not found") energy, value = getActualDataFromLinesAndOffset(lines, index) if getmode: return energy, value, mode else: return energy, value def getTotalPhotoelectricCrossSection(z, lines=None, getmode=False): #Yi C S X1 Yo I #7 73 0 0. 0 0 if lines is None: lines = EPDL97_DATA index, mode = getDataLineIndex(lines, z, 7, 73, 0, 0., 0, 0, getmode=True) if index < 0: raise IOError("Requested data not found") energy, value = getActualDataFromLinesAndOffset(lines, index) if getmode: return energy, value, mode else: return energy, value def getPartialPhotoelectricCrossSection(z, shell, lines=None, getmode=False): #Yi C S X1 Yo I #7 73 91 1. 0 0 K Shell #7 73 91 2. 0 0 L Shell #7 73 91 3. 0 0 L1 Shell #7 73 91 4. 0 0 L23 Shell #7 73 91 5. 0 0 L2 Shell #7 73 91 6. 0 0 L3 Shell #7 73 91 7. 0 0 M Shell #7 73 91 8. 0 0 M1 Shell #7 73 91 9. 0 0 M23 Shell #7 73 91 10. 0 0 M2 Shell #7 73 91 11. 0 0 M3 Shell #7 73 91 12. 0 0 M45 Shell #7 73 91 13. 0 0 M4 Shell #7 73 91 14. 0 0 M5 Shell #7 73 91 15. 0 0 N Shell #7 73 91 16. 0 0 N1 Shell #7 73 91 17. 0 0 N23 Shell #7 73 91 18. 0 0 N2 Shell #7 73 91 19. 0 0 N3 Shell #7 73 91 20. 0 0 N45 Shell #7 73 91 21. 0 0 N4 Shell #7 73 91 22. 0 0 N5 Shell #7 73 91 23. 0 0 N67 Shell #7 73 91 24. 0 0 N6 Shell #7 73 91 25. 0 0 N7 Shell #cleanup shell name X1 = getValueFromSubshell(shell) if lines is None: lines = EPDL97_DATA index, mode = getDataLineIndex(lines, z, 7, 73, 91, X1, 0, 0, getmode=True) if index < 0: raise IOError("Requested data not found") energy, value = getActualDataFromLinesAndOffset(lines, index) if getmode: return energy, value, mode else: return energy, value def getTotalPairCrossSection(z, lines=None, getmode=False): #Yi C S X1 Yo I #7 74 0 0. 0 0 index, mode = getDataLineIndex(lines, z, 7, 74, 0, 0., 0, 0, getmode=True) if lines is None: lines = EPDL97_DATA if index < 0: raise IOError("Requested data not found") energy, value = getActualDataFromLinesAndOffset(lines, index) if getmode: return energy, value, mode else: return energy, value def getTotalTripletCrossSection(z, lines=None, getmode=False): #Yi C S X1 Yo I #7 75 0 0. 0 0 index, mode = getDataLineIndex(lines, z, 7, 75, 0, 0., 0, 0, getmode=True) if lines is None: lines = EPDL97_DATA if index < 0: raise IOError("Requested data not found") energy, value = getActualDataFromLinesAndOffset(lines, index) if getmode: return energy, value, mode else: return energy, value if __name__ == "__main__": if len(sys.argv) > 1: Z = int(sys.argv[1]) else: Z = 82 energy, value, mode = getTotalCoherentCrossSection(Z, EPDL97_DATA, getmode=True) print("TOTAL COHERENT ", mode) for i in range(len(energy)): if energy[i] > 0.010: if energy[i] < 0.020: print(energy[i], value[i]) energy, value, mode = getTotalIncoherentCrossSection(Z, EPDL97_DATA , getmode=True) print("TOTAL INCOHERENT ", mode) for i in range(len(energy)): if energy[i] > 0.010: if energy[i] < 0.020: print(energy[i], value[i]) energy, value, mode = getTotalPhotoelectricCrossSection(Z, EPDL97_DATA, getmode=True) print("TOTAL PHOTOELECTRIC ", mode) for i in range(len(energy)): if energy[i] > 0.010: if energy[i] < 0.020: print(energy[i], value[i]) energy, value, mode = getTotalPairCrossSection(Z, EPDL97_DATA, getmode=True) print(" TOTAL PAIR ", mode) for i in range(len(energy)): if energy[i] > 0.010: if energy[i] < 0.020: print(energy[i], value[i]) energy, value, mode = getPartialPhotoelectricCrossSection(Z, 'L1', EPDL97_DATA, getmode=True) print("L1 SHELL PARTIAL PHOTOELECTRIC IDX") for i in range(len(energy)): if energy[i] > 0.010: if energy[i] < 0.020: print(energy[i], value[i], mode) energy, value, mode = getPartialPhotoelectricCrossSection(Z, 'K', EPDL97_DATA, getmode=True) print("K SHELL PARTIAL PHOTOELECTRIC") for i in range(len(energy)): if energy[i] > 0.088: if energy[i] < 0.090: print(energy[i], value[i], mode) print("atomic weight = ", getAtomicWeights()[Z-1]) PyMca5-5.2.2/PyMca5/scripts/0000755000276300001750000000000013205526235015513 5ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/scripts/rgbcorrelator0000644000276300001750000000041113136054446020304 0ustar solebliss00000000000000#!python import os import sys import PyMca5.PyMcaGui.pymca.PyMcaPostBatch as target fname = os.path.join(os.path.dirname(target.__file__), 'PyMcaPostBatch.py') if sys.version < '3.0': execfile(fname) else: exec(compile(open(fname).read(), fname, 'exec')) PyMca5-5.2.2/PyMca5/scripts/pymca0000644000276300001750000000044713136054446016557 0ustar solebliss00000000000000#!python import os import sys import PyMca5.PyMcaGui.pymca as PyMca sys.path.insert(0, os.path.dirname(PyMca.__file__)) fname = os.path.join(os.path.dirname(PyMca.__file__), 'PyMcaMain.py') if sys.version < '3.0': execfile(fname) else: exec(compile(open(fname).read(), fname, 'exec')) PyMca5-5.2.2/PyMca5/scripts/elementsinfo0000644000276300001750000000041313136054446020127 0ustar solebliss00000000000000#!python import os import sys import PyMca5.PyMcaGui.physics.xrf.ElementsInfo as target fname = os.path.join(os.path.dirname(target.__file__), 'ElementsInfo.py') if sys.version < '3.0': execfile(fname) else: exec(compile(open(fname).read(), fname, 'exec')) PyMca5-5.2.2/PyMca5/scripts/pymcaroitool0000644000276300001750000000041213136054446020157 0ustar solebliss00000000000000#!python import os import sys from PyMca5.PyMcaGui.pymca import QStackWidget as target fname = os.path.join(os.path.dirname(target.__file__), 'QStackWidget.py') if sys.version < '3.0': execfile(fname) else: exec(compile(open(fname).read(), fname, 'exec')) PyMca5-5.2.2/PyMca5/scripts/pymcapostbatch0000644000276300001750000000041113136054446020456 0ustar solebliss00000000000000#!python import os import sys import PyMca5.PyMcaGui.pymca.PyMcaPostBatch as target fname = os.path.join(os.path.dirname(target.__file__), 'PyMcaPostBatch.py') if sys.version < '3.0': execfile(fname) else: exec(compile(open(fname).read(), fname, 'exec')) PyMca5-5.2.2/PyMca5/scripts/mca2edf0000644000276300001750000000037313136054446016745 0ustar solebliss00000000000000#!python import os import sys import PyMca5.PyMcaGui.pymca.Mca2Edf as target fname = os.path.join(os.path.dirname(target.__file__), 'Mca2Edf.py') if sys.version < '3.0': execfile(fname) else: exec(compile(open(fname).read(), fname, 'exec')) PyMca5-5.2.2/PyMca5/scripts/peakidentifier0000644000276300001750000000042413136054446020424 0ustar solebliss00000000000000#!python import os import sys import PyMca5 from PyMca5.PyMcaGui import PeakIdentifier fname = os.path.join(os.path.dirname(PeakIdentifier.__file__), 'PeakIdentifier.py') if sys.version < '3.0': execfile(fname) else: exec(compile(open(fname).read(), fname, 'exec')) PyMca5-5.2.2/PyMca5/scripts/edfviewer0000644000276300001750000000042313136054446017420 0ustar solebliss00000000000000#!python import os import sys import PyMca5.PyMcaGui.pymca.EdfFileSimpleViewer as target fname = os.path.join(os.path.dirname(target.__file__), 'EdfFileSimpleViewer.py') if sys.version < '3.0': execfile(fname) else: exec(compile(open(fname).read(), fname, 'exec')) PyMca5-5.2.2/PyMca5/scripts/pymcabatch0000644000276300001750000000040113136054446017547 0ustar solebliss00000000000000#!python import os import sys import PyMca5.PyMcaGui.pymca.PyMcaBatch as target fname = os.path.join(os.path.dirname(target.__file__), 'PyMcaBatch.py') if sys.version < '3.0': execfile(fname) else: exec(compile(open(fname).read(), fname, 'exec')) PyMca5-5.2.2/PyMca5/PyMcaPhysics/0000755000276300001750000000000013205526235016400 5ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/PyMcaPhysics/SixCircle.py0000644000276300001750000004042113136054446020643 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" __doc__ = """ Methods to convert single point or complete images to reciprocal space. It is fully vectorized and therefore very fast for converting complete images. """ import numpy cos = numpy.cos sin = numpy.sin class SixCircle(object): def __init__(self): self._energy = None self._lambda = None self._K = 1.0 self._ub = None self.setLambda(1.0) self.setUB([1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0]) def setUB(self, ublist): """ :param ublist: the ub matrix element values :type ublist: list, tuple or array to convert to a 3x3 matrix """ self._ub = numpy.array(ublist, copy=True, dtype=numpy.float) self._ub.shape = 3, 3 def getUB(self): """ :return: the ub matrix element values :rtype: list(float) """ a = self._ub * 1 a.shape = -1 return a.tolist() def setEnergy(self, energy): """ :param energy: the energy to set in KeV :type energy: float """ self._lambda = 12.39842 / energy self._energy = energy self.update() def getEnergy(self): """ :return: the energy in KeV :rtype: float """ return self._energy def setLambda(self, value): """ :param value: the wavelength to set in Angstroms :type value: float """ self._lambda = value self._energy = 12.39842 / value self.update() def getLambda(self): """ :return: the wavelength in Angstroms :rtype: float """ return self._lambda def update(self): """ compute K from the wavelength value """ self._K = (2 * numpy.pi) / self._lambda def getPhiMatrix(self, phi): """ :param phi: the phi angle in degree :type phi: float :return: the rotation matrix of the phi axis for a given angle :rtype: numpy.ndarray """ angle = numpy.radians(phi) cphi = cos(angle) sphi = sin(angle) return numpy.array([[cphi, sphi, 0.0], [-sphi, cphi, 0.0], [0.0, 0.0, 1.0]], numpy.float) def getChiMatrix(self, chi): """ :param chi: the chi angle in degree :type chi: float :return: the rotation matrix of the chi :rtype: numpy.ndarray """ angle = numpy.radians(chi) cchi = cos(angle) schi = sin(angle) return numpy.array([[cchi, 0.0, schi], [0.0, 1.0, 0.0], [-schi, 0.0, cchi]], numpy.float) def getThetaMatrix(self, th): """ :param th: the theta angle in Degree :type th: float :return: the rotation matrix of the theta axis :rtype: numpy.ndarray """ angle = numpy.radians(th) cth = cos(angle) sth = sin(angle) return numpy.array([[cth, sth, 0], [-sth, cth, 0], [0, 0, 1]], numpy.float) def getDeltaMatrix(self, delta): """ :param delta: the delta angle in Degree :type delta: float :return: the rotation matrix of the delta axis :rtype: numpy.ndarray """ angle = numpy.radians(delta) cdel = cos(angle) sdel = sin(angle) return numpy.array([[cdel, sdel, 0], [-sdel, cdel, 0], [0, 0, 1]], numpy.float) def getGammaMatrix(self, gamma): """ :param gamma: the gamma angle in Degree :type gamma: float :return: the rotation matrix of the gamma axis :rtype: numpy.ndarray """ angle = numpy.radians(gamma) cgam = cos(angle) sgam = sin(angle) return numpy.array([[1.0, 0.0, 0.0], [0.0, cgam, -sgam], [0.0, sgam, cgam]], numpy.float) def getMuMatrix(self, mu): """ :param mu: the mu angle in degree :type mu: float :return: the rotation matrix of the mu axis :rtype: numpy.ndarray """ angle = numpy.radians(mu) cmu = cos(angle) smu = sin(angle) return numpy.array([[1.0, 0.0, 0.0], [0.0, cmu, -smu], [0.0, smu, cmu]], numpy.float) def _getDeltaDotGammaMatrix(self, delta, gamma, gamma_first=False): """ :param delta: the delta angles in Degrees :type delta: numpy.ndarray (1D) :param gamma: the gamma values in Degrees :type gamma: numpy.ndarray (1D) :param gamma_first: if delta and gamma are arrays, which one variates first. :type gamma_first: boolean :return: all the rotation matrix of all the delta, gamma combinations :rtype: numpy.ndarray (3x3, len(delta) * len(gamma)) """ delr = numpy.radians(delta) gamr = numpy.radians(gamma) if gamma_first: cgam, cdel = numpy.meshgrid(numpy.cos(gamr), numpy.cos(delr)) sgam, sdel = numpy.meshgrid(numpy.sin(gamr), numpy.sin(delr)) else: #this is to give the same result as Didier and not the transpose cdel, cgam = numpy.meshgrid(numpy.cos(delr), numpy.cos(gamr)) sdel, sgam = numpy.meshgrid(numpy.sin(delr), numpy.sin(gamr)) deltaDotGamma = numpy.zeros((3, 3, len(delta), len(gamma)), numpy.float) # 1st row of dot(deltamatrix, gammaMatrix) deltaDotGamma[0, 0, :] = cdel deltaDotGamma[0, 1, :] = (sdel * cgam)[:] deltaDotGamma[0, 2, :] = -sdel * sgam # 2nd row of dot(deltaMatrix, gammaMatrix) deltaDotGamma[1, 0, :] = -sdel deltaDotGamma[1, 1, :] = cdel * cgam deltaDotGamma[1, 2, :] = -cdel * sgam # 3rd row of dot(deltaMatrix, gammaMatrix) deltaDotGamma[2, 0, :] = 0.0 deltaDotGamma[2, 1, :] = sgam deltaDotGamma[2, 2, :] = cgam deltaDotGamma.shape = 3, 3, len(delta) * len(gamma) return deltaDotGamma def getQMu(self, phi=0., chi=0., theta=0., mu=0., delta=0., gamma=0., gamma_first=False): """ :param phi: angle in Degrees :type phi: float :param chi: angle in Degrees :type chi: float :param theta: angle in Degrees :type theta: float :param mu: angle in Degrees :type mu: float :param delta: angle in Degrees :type delta: float or numpy.ndarray :param gamma: angle in Degrees :type gamma: float or numpy.ndarray :param gamma_first: if delta and gamma are arrays, which one variates first. :type gamma_first: boolean :return: Q coordinates for all the given delta, gamma values :rtype: numpy.ndarray (len(delta), len(gamma), 3) """ PHIi = self.getPhiMatrix(phi).T CHIi = self.getChiMatrix(chi).T THi = self.getThetaMatrix(theta).T MUi = self.getMuMatrix(mu).T tmpArray = numpy.dot(PHIi, numpy.dot(CHIi, numpy.dot(THi, MUi))) Q = self.getQLab(mu=mu, delta=delta, gamma=gamma, gamma_first=gamma_first) Q.shape = 3, -1 Q = numpy.transpose(numpy.dot(tmpArray, Q)) if type(delta) in [type(1.0), type(1)]: lendelta = 1 else: lendelta = len(delta) if type(gamma) in [type(1.0), type(1)]: lengamma = 1 else: lengamma = len(gamma) Q.shape = lengamma, lendelta, 3 return Q def getQSurface(self, phi=0., chi=0., theta=0., mu=0., delta=0., gamma=0., gamma_first=False): """ :param phi: angle in Degrees :type phi: float :param chi: angle in Degrees :type chi: float :param theta: angle in Degrees :type theta: float :param mu: angle in Degrees :type mu: float :param delta: angle in Degrees :type delta: float or numpy.ndarray :param gamma: angle in Degrees :type gamma: float or numpy.ndarray :param gamma_first: if delta and gamma are arrays, which one variates first. :type gamma_first: boolean :return: Q values for all the given delta, gamma values This is only true if the diffractometer has been properly aligned. """ PHIi = self.getPhiMatrix(phi).T CHIi = self.getChiMatrix(chi).T THi = self.getThetaMatrix(theta).T MUi = self.getMuMatrix(mu).T tmpArray = numpy.dot(PHIi, numpy.dot(CHIi, numpy.dot(THi, MUi))) Q = self.getQLab(mu=mu, delta=delta, gamma=gamma, gamma_first=gamma_first) Q.shape = 3, -1 return (numpy.dot(tmpArray, Q)) def getQLab(self, mu=0.0, delta=0.0, gamma=0.0, gamma_first=False): """ :param mu: angle in Degrees :type mu: float :param delta: angle in Degrees :type delta: float or numpy.ndarray :param gamma: angle in Degrees :type gamma: float or numpy.ndarray :param gamma_first: if delta and gamma are arrays, which one variates first. :type gamma_first: boolean :return: the Q coordinates in the Lab system :rtype: numpy.ndarray () Q = Kf - Ki = (2 * pi / lambda) * (MU DELTA GAMMA - I) * (0, 1, 0) This gives (transforming angles to radians): (2*pi/lambda) * ( sin(delta) cos(gamma), cos(mu) cos(delta) cos(gamma) - sin(mu) sin(gamma) - 1, sin(mu) cos(delta) cos(gamma) + cos(mu) sin(gamma)) or, in terms of DG = numpy.dot(DELTA, GAMMA): (2*pi/lambda) * ( DG[0,1], cos(mu)* DG[1,1] - sin(mu) * DG[2,1] - 1 sin(mu)* DG[1,1] + cos(mu) * DG[2,1]) """ alpha = numpy.radians(mu) cmu = cos(alpha) smu = sin(alpha) alpha = numpy.radians(delta) cdel = cos(alpha) sdel = sin(alpha) alpha = numpy.radians(gamma) cgam = cos(alpha) sgam = sin(alpha) if isinstance(delta, numpy.ndarray) or \ isinstance(gamma, numpy.ndarray): if gamma_first: cgam, cdel = numpy.meshgrid(cgam, cdel) sgam, sdel = numpy.meshgrid(sgam, sdel) else: # this is to give the same result as Didier and not the transpose cdel, cgam = numpy.meshgrid(cdel, cgam) sdel, sgam = numpy.meshgrid(sdel, sgam) Q = numpy.zeros((3, sdel.shape[0], sdel.shape[1]), numpy.float) Q[0, :, :] = sdel * cgam Q[1, :, :] = cmu * cdel * cgam - smu * sgam - 1 Q[2, :, :] = smu * cdel * cgam + cmu * sgam else: Q = numpy.zeros((3, 1), numpy.float) Q[0, 0] = sdel * cgam Q[1, 0] = cmu * cdel * cgam - smu * sgam - 1 Q[2, 0] = smu * cdel * cgam + cmu * sgam return Q * self._K def getHKL(self, phi=0., chi=0., theta=0., mu=0., delta=0., gamma=0., gamma_first=False): """ :param phi: angle in Degrees :type phi: float :param chi: angle in Degrees :type chi: float :param theta: angle in Degrees :type theta: float :param mu: angle in Degrees :type mu: float :param delta: angle in Degrees :type delta: float or numpy.ndarray :param gamma: angle in Degrees :type gamma: float or numpy.ndarray :param gamma_first: if delta and gamma are arrays, which one variates first. :type gamma_first: boolean :return: HKL values for all the given delta, gamma values """ PHIi = self.getPhiMatrix(phi).T CHIi = self.getChiMatrix(chi).T THi = self.getThetaMatrix(theta).T MUi = self.getMuMatrix(mu).T UBi = numpy.linalg.inv(self._ub) tmpArray = numpy.dot(UBi, numpy.dot(PHIi, numpy.dot(CHIi, numpy.dot(THi, MUi)))) Q = self.getQLab(mu=mu, delta=delta, gamma=gamma, gamma_first=gamma_first) Q.shape = 3, -1 return (numpy.dot(tmpArray, Q)) def getHKL(wavelength, ub, phi=0., chi=0., theta=0., mu=0., delta=0., gamma=0., gamma_first=False): """ A convenience function that takes the whole input in one go. :param wavelength: the wavelength in Angstroms :type wavelength: float :param ub: the ub matrix element values :type ub: list(float) :param phi: angle in Degrees :type phi: float :param chi: angle in Degrees :type chi: float :param theta: angle in Degrees :type theta: float :param mu: angle in Degrees :type mu: float :param delta: angle in Degrees :type delta: float or numpy.ndarray :param gamma: angle in Degrees :type gamma: float or numpy.ndarray :param gamma_first: if delta and gamma are arrays, which one variates first. :type gamma_first: boolean :return: HKL values for all the given delta, gamma values """ a = SixCircle() a.setLambda(wavelength) a.setUB(ub) return a.getHKL(delta=delta, theta=theta, chi=chi, phi=phi, mu=mu, gamma=gamma, gamma_first=gamma_first) def main(): wavelength = 0.363504 UB = [1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0] UB[0] = -4.080 UB[1] = 0.000 UB[2] = 0.000 UB[3] = 0.000 UB[4] = 4.080 UB[5] = 0.000 UB[6] = 0.000 UB[7] = 0.000 UB[8] = -4.080 d = SixCircle() d.setLambda(wavelength) d.setUB(UB) print("H = 0 K = 0 L = 1") delta, theta, chi, phi, mu, gamma = 13.5558, 6.77779, -90, 0.0, 0.0, 0.0 print(d.getHKL(delta=delta, theta=theta, chi=chi, phi=phi, mu=mu, gamma=gamma)) print("H = 0 K = 1 L = 0") delta, theta, chi, phi, mu, gamma = 13.5558, 96.77779, -90, 0.0, 0.0, 0.0 print(d.getHKL(delta=delta, theta=theta, chi=chi, phi=phi, mu=mu, gamma=gamma)) print("H = 1 K = 1 L = 1") delta, theta, chi, phi, mu, gamma = 23.5910, 47.0595, -135., 0.0, 0.0, 0.0 print(d.getHKL(delta=delta, theta=theta, chi=chi, phi=phi, mu=mu, gamma=gamma)) print("H = 2 K = -1 L = 0") delta, theta, chi, phi, mu, gamma = 30.6035, -11.2635, 180.0, 0.0, 0.0, 0.0 print(d.getHKL(delta=delta, theta=theta, chi=chi, phi=phi, mu=mu, gamma=gamma)) print("H = 2 K = -1 L = 0") print(getHKL(wavelength, UB, delta=delta, theta=theta, chi=chi, phi=phi, mu=mu, gamma=gamma)) if __name__ == "__main__": main() PyMca5-5.2.2/PyMca5/PyMcaPhysics/__init__.py0000644000276300001750000000331213136054446020513 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import os __path__ += [os.path.join(os.path.dirname(__file__), "xrf")] __path__ += [os.path.join(os.path.dirname(__file__), "xas")] PyMca5-5.2.2/PyMca5/PyMcaPhysics/xrf/0000755000276300001750000000000013205526235017177 5ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/PyMcaPhysics/xrf/ConcentrationsTool.py0000644000276300001750000011507713136054446023416 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import copy import numpy from . import Elements from .XRFMC import XRFMCHelper FISX = False try: from . import FisxHelper FISX = True except ImportError: print("WARNING: fisx features not available") class ConcentrationsConversion(object): def getConcentrationsAsHtml(self, concentrations=None): text = "" if concentrations is None: return text result = concentrations #the header if 'mmolar' in result: mmolarflaglist = [False, True] else: mmolarflaglist = [False] for mmolarflag in mmolarflaglist: text += "\n" text += "

" %\ 'Concentrations' if mmolarflag: text += "%s:" % 'mM Concentrations' else: text += "%s:" % 'Concentrations' text += "

" text += "
" labels = ['Element', 'Group', 'Fit Area', 'Sigma Area'] if mmolarflag: labels += 'mM concentration' else: labels += 'Mass fraction' #the table if 'layerlist' in result: if type(result['layerlist']) != type([]): result['layerlist'] = [result['layerlist']] for label in result['layerlist']: labels += [label] lemmon = ("#%x%x%x" % (255, 250, 205)).upper() white = '#FFFFFF' hcolor = ("#%x%x%x" % (230, 240, 249)).upper() text += "
" text += "" text += '' text += "" for l in range(len(labels)): if l < 2: text += '' %\ (hcolor, labels[l]) elif l == 2: text += '' %\ (hcolor, labels[l]) else: text += '' %\ (hcolor, labels[l]) text += "" line = 0 for group in result['groups']: text += ("") element, group0 = group.split() fitarea = "%.6e" % result['fitarea'][group] sigmaarea = "%.2e" % result['sigmaarea'][group] area = "%.6e" % result['area'][group] if mmolarflag: fraction = "%.4g" % result['mmolar'][group] else: fraction = "%.4g" % result['mass fraction'][group] if 'Expected Area' in labels: fields = [element, group0, fitarea, sigmaarea, area, fraction] else: fields = [element, group0, fitarea, sigmaarea, fraction] if 'layerlist' in result: for layer in result['layerlist']: if result[layer]['mass fraction'][group] < 0.0: fraction = "Unknown" else: if mmolarflag: fraction = "%.4g" % result[layer]['mmolar'][group] else: fraction = "%.4g" % result[layer]['mass fraction'][group] fields += [fraction] if line % 2: color = lemmon else: color = white i = 0 for field in fields: if (i<2): text += '' % (color, field) else: text += '' % (color, field) i += 1 text += '' line += 1 text += ("
%s%s%s
%s%s
") text += ("
") text += "
" return text def getConcentrationsAsAscii(self, concentrations=None): text = "" if concentrations is None: return text result = concentrations #the table if 'mmolar' in result: mmolarflaglist = [False, True] else: mmolarflaglist = [False] for mmolarflag in mmolarflaglist: labels = ['Element', 'Group', 'Fit_Area', 'Sigma_Area'] if mmolarflag: labels += ['mM_Concentration'] else: labels += ['Mass_fraction'] if 'layerlist' in result: if type(result['layerlist']) != type([]): result['layerlist'] = [result['layerlist']] for label in result['layerlist']: labels += [label.replace(' ', '')] for l in labels: text += "%s " % l text += ("\n") for group in result['groups']: element, group0 = group.split() fitarea = "%.6e" % result['fitarea'][group] sigmaarea = "%.2e" % result['sigmaarea'][group] area = "%.6e" % result['area'][group] if mmolarflag: fraction = "%.4g" % result['mmolar'][group] else: fraction = "%.4g" % result['mass fraction'][group] if 'Expected Area' in labels: fields = [element, group0, fitarea, sigmaarea, area, fraction] else: fields = [element, group0, fitarea, sigmaarea, fraction] if 'layerlist' in result: for layer in result['layerlist']: if result[layer]['mass fraction'][group] < 0.0: fraction = "Unknown" else: if mmolarflag: fraction = "%.4g" %\ result[layer]['mmolar'][group] else: fraction = "%.4g" %\ result[layer]['mass fraction'][group] fields += [fraction] for field in fields: text += '%s ' % (field) text += '\n' return text class ConcentrationsTool(object): def __init__(self, config=None, fitresult=None): self.config = {} self.config['usematrix'] = 0 self.config['useattenuators'] = 1 self.config['usemultilayersecondary'] = 0 self.config['usexrfmc'] = 0 self.config['flux'] = 1.0E10 self.config['time'] = 1.0 self.config['area'] = 30.0 self.config['distance'] = 10.0 self.config['reference'] = "Auto" self.config['mmolarflag'] = 0 if config is not None: self.configure(config) self.fitresult = fitresult def configure(self, ddict=None): if ddict is None: ddict = {} for key in ddict: if key in self.config.keys(): self.config[key] = ddict[key] return copy.deepcopy(self.config) def processFitResult(self, config=None, fitresult=None, elementsfrommatrix=False, fluorates=None, addinfo=False): # I should check if fit was successful ... if fitresult is None: fitresult = self.fitresult else: self.fitresult = fitresult if config is None: config = self.config else: self.config = config if 'usemultilayersecondary' not in self.config: self.config['usemultilayersecondary'] = 0 if 'usexrfmc' not in self.config: self.config['usexrfmc'] = 0 secondary = self.config['usemultilayersecondary'] xrfmcSecondary = self.config['usexrfmc'] if secondary and xrfmcSecondary: txt = "Only one of built-in fisx secondary and Monte Carlo correction can be used" raise ValueError(txt) if secondary and (not FISX): raise ImportError("Module fisx does not seem to be available") # get attenuators and matrix from fit attenuators = [] beamfilters = [] funnyfilters = [] matrix = None detectoratt = None multilayer = None for attenuator in fitresult['result']['config']['attenuators'].keys(): if not fitresult['result']['config']['attenuators'][attenuator][0]: continue if attenuator.upper() == "MATRIX": matrix = fitresult['result']['config']['attenuators'][attenuator][1:4] alphain = fitresult['result']['config']['attenuators'][attenuator][4] alphaout = fitresult['result']['config']['attenuators'][attenuator][5] elif attenuator.upper()[:-1] == "BEAMFILTER": beamfilters.append(fitresult['result']['config']['attenuators']\ [attenuator][1:]) elif attenuator.upper() == "DETECTOR": detectoratt = fitresult['result']['config']['attenuators'][attenuator][1:] else: if len(fitresult['result']['config']['attenuators'][attenuator][1:]) == 4: fitresult['result']['config']['attenuators'][attenuator].append(1.0) if abs(fitresult['result']['config']['attenuators'][attenuator][4]-1.0) > 1.0e-10: #funny attenuator funnyfilters.append(fitresult['result']['config']['attenuators']\ [attenuator][1:]) else: attenuators.append(fitresult['result']['config']['attenuators']\ [attenuator][1:]) if matrix is None: raise ValueError("Invalid or undefined sample matrix") if matrix[0].upper() == "MULTILAYER": layerlist = list(fitresult['result']['config']['multilayer'].keys()) layerlist.sort() for layer in layerlist: if fitresult['result']['config']['multilayer'][layer][0]: if multilayer is None: multilayer = [] multilayer.append(fitresult['result']['config']['multilayer'][layer][1:]) if not Elements.isValidMaterial(multilayer[-1][0]): raise ValueError("Material %s is not defined" % multilayer[-1][0]) else: layerlist = ["Layer0"] multilayer = [matrix] if not Elements.isValidMaterial(matrix[0]): raise ValueError("Material %s is not defined" % matrix[0]) if xrfmcSecondary and (len(layerlist) > 1): txt = "Multilayer Monte Carlo correction not implemented yet" raise ValueError(txt) energyList = fitresult['result']['config']['fit']['energy'] if energyList is None: raise ValueError("Invalid energy") if type(energyList) != type([]): energyList = [energyList] flagList = [1] weightList = [1.0] else: flagList = fitresult['result']['config']['fit']['energyflag'] weightList = fitresult['result']['config']['fit']['energyweight'] finalEnergy = [] finalWeight = [] finalFlag = [] for idx in range(len(energyList)): if flagList[idx]: energy = energyList[idx] if energy is None: raise ValueError(\ "Energy %d isn't a valid energy" % idx) if energy <= 0.001: raise ValueError(\ "Energy %d with value %f isn't a valid energy" %\ (idx, energy)) if weightList[idx] is None: raise ValueError(\ "Weight %d isn't a valid weight" % idx) if weightList[idx] < 0.0: raise ValueError(\ "Weight %d with value %f isn't a valid weight" %\ (idx, weightList[idx])) finalEnergy.append(energy) finalWeight.append(weightList[idx]) finalFlag.append(1) totalWeight = sum(weightList) if totalWeight == 0.0: raise ValueError("Sum of energy weights is 0.0") weightList = [x / totalWeight for x in finalWeight] energyList = finalEnergy flagList = finalFlag # get elements list from fit, not from matrix groupsList = fitresult['result']['groups'] * 1 if type(groupsList) != type([]): groupsList = [groupsList] todelete = [] for i in range(len(groupsList)): ele = groupsList[i].split()[0] if len(ele) > 2: todelete.append(i) if len(todelete): todelete.reverse() for i in todelete: del groupsList[i] elements = [] newelements = [] for group in groupsList: splitted = group.split() ele = splitted[0] newelements.append([Elements.getz(splitted[0]), splitted[0], splitted[1]]) if len(elements): if elements[-1] != ele: elements.append(ele) else: elements.append(ele) newelements.sort() elements.sort() if not config['useattenuators']: attenuators = None funnyfilters = None #import time #t0=time.time() if elementsfrommatrix: newelementsList = [] for ilayer in range(len(multilayer)): pseudomatrix = multilayer[ilayer] eleDict = Elements.getMaterialMassFractions([pseudomatrix[0]], [1.0]) if eleDict == {}: raise ValueError(\ "Invalid layer material %s" % pseudomatrix[0]) keys = eleDict.keys() for ele in keys: for group in newelements: if ele == group[1]: if not group in newelementsList: newelementsList.append(group) newelementsList.sort() fluo0 = Elements.getMultilayerFluorescence(multilayer, energyList, layerList=None, weightList=weightList, flagList=weightList, fulloutput=1, beamfilters=beamfilters * 1, attenuators=attenuators * 1, elementsList=newelementsList * 1, alphain=alphain, alphaout=alphaout, cascade=True, detector=detectoratt, funnyfilters=funnyfilters * 1, forcepresent=0, secondary=False) fluototal = fluo0[0] fluolist = fluo0[1:] else: if matrix[0].upper() != "MULTILAYER": multilayer = [matrix * 1] if fluorates is None: fluo0 = Elements.getMultilayerFluorescence(multilayer, energyList, layerList=None, weightList=weightList, flagList=flagList, fulloutput=1, beamfilters=beamfilters * 1, attenuators=attenuators * 1, elementsList=newelements * 1, alphain=alphain, alphaout=alphaout, cascade=True, detector=detectoratt, funnyfilters=funnyfilters * 1, forcepresent=1, secondary=False) else: fluo0 = fluorates fluototal = fluo0[0] fluolist = fluo0[1:] #I'll need total fluo element by element at some point #print "getMatrixFluorescence elapsed = ",time.time()-t0 if config['usematrix']: present = [] referenceLayerDict = {} materialComposition = [] for ilayer in range(len(multilayer)): pseudomatrix = multilayer[ilayer] * 1 #get elemental composition from matrix materialComposition.append(Elements.getMaterialMassFractions([pseudomatrix[0]], [1.0])) keys = materialComposition[-1].keys() materialElements = [[Elements.getz(x), x] for x in keys] materialElements.sort() for z, key in materialElements: for ele in elements: if key == ele: present.append(key) if not (ele in referenceLayerDict): referenceLayerDict[ele] = [] referenceLayerDict[ele].append(ilayer) if len(present) == 0: text = "Matrix must contain at least one fitted element\n" text += "in order to estimate flux and efficiency from it." raise ValueError(text) referenceElement = config['reference'].replace(' ', "") if len(referenceElement) and (referenceElement.upper() != 'AUTO'): if Elements.isValidFormula(referenceElement): if len(referenceElement) == 2: referenceElement = referenceElement.upper()[0] +\ referenceElement.lower()[1] elif len(referenceElement) == 1: referenceElement = referenceElement.upper()[0] if not (referenceElement in elements): text = "Element %s not among fitted elements" % referenceElement raise ValueError(text) elif not (referenceElement in present): text = "Element %s not among matrix elements" % referenceElement raise ValueError(text) referenceLayers = referenceLayerDict[referenceElement] else: text = "Element %s not a valid element" % referenceElement raise ValueError(text) elif len(present) == 1: referenceElement = present[0] referenceLayers = referenceLayerDict[referenceElement] else: # how to choose? Best fitted, largest fit area or # greater concentration? or better to give a weight to # the different shells, energies , ...? referenceElement = present[0] fom = self._figureOfMerit(present[0],fluototal,fitresult) for key in present: #if materialComposition[key] > materialComposition[referenceElement]: # referenceElement = key newfom = self._figureOfMerit(key,fluototal,fitresult) if newfom > fom: fom = newfom referenceElement = key referenceLayers = referenceLayerDict[referenceElement] referenceTransitions = None for group in groupsList: item = group.split() element = item[0] if element == referenceElement: transitions = item[1] + " xrays" if referenceTransitions is None: referenceTransitions = transitions referenceGroup = group elif (referenceTransitions[0] == transitions[0]) and\ (referenceTransitions[0] == 'L'): # this prevents selecting L1 and selects L3 although # given the appropriate area, L2 can be a safer choice. referenceGroup = group referenceTransitions = transitions elif referenceTransitions is not None: break theoretical = 0.0 for ilayer in referenceLayers: if elementsfrommatrix: theoretical += fluolist[ilayer][referenceElement]['rates'][referenceTransitions] * \ fluolist[ilayer][referenceElement]['mass fraction'] else: theoretical += materialComposition[ilayer][referenceElement] * \ fluolist[ilayer][referenceElement]['rates'][referenceTransitions] if theoretical <= 0.0: raise ValueError(\ "Theoretical rate is almost 0.0 Impossible to determine flux") else: if (config['distance'] > 0.0) and (config['area'] > 0.0): #solidangle = config['area']/(4.0 * numpy.pi * pow(config['distance'],2)) radius2 = config['area']/numpy.pi solidangle = 0.5 * (1.0 - (config['distance']/numpy.sqrt(pow(config['distance'],2)+ radius2))) else: solidangle = 1.0 flux = fitresult['result'][referenceGroup]['fitarea'] / (theoretical * solidangle) else: referenceElement = None referenceTransitions = None #solidangle = config['area']/(4.0 * numpy.pi * pow(config['distance'],2)) radius2 = config['area']/numpy.pi solidangle = 0.5 * (1.0 - (config['distance']/numpy.sqrt(pow(config['distance'],2)+ radius2))) flux = config['flux'] * config['time'] #print "OBTAINED FLUX * SOLID ANGLE= ",flux * solidangle #print "flux * time = ",flux #print "actual solid angle = ",0.5 * (1.0 - (config['distance']/sqrt(pow(config['distance'],2)+ config['area']/pi))) #print "solid angle factor= ",solidangle #ele = 'Pb' #rays = "L xrays" #print "theoretical = ",fluototal[ele]['rates'][rays] #print "expected = ",flux * solidangle * fluototal[ele]['rates'][rays] #for ilayer in range(len(multilayer)): # print "ilayer = ",ilayer, "theoretical = ",fluolist[ilayer][ele]['rates'][rays] # print "ilayer = ",ilayer, "expected = ",flux * solidangle * fluolist[ilayer][ele]['rates'][rays] ddict = {} ddict['groups'] = groupsList ddict['elements'] = elements ddict['mass fraction'] = {} if 'mmolarflag' in config: if config['mmolarflag']: ddict['mmolar'] = {} else: config['mmolarflag'] = 0 ddict['area'] = {} ddict['fitarea'] = {} ddict['sigmaarea'] = {} fluo = fluototal for group in groupsList: item = group.split() element = item[0] transitions = item[1] + " xrays" if element in fluo.keys(): if transitions in fluo[element]: #this SHOULD be with concentration one theoretical = fluo[element]['rates'][transitions] * 1.0 expected = theoretical * flux * solidangle concentration = fitresult['result'][group]['fitarea']/expected else: theoretical = 0.0 concentration = 0.0 else: theoretical = 0.0 concentration = 0.0 #ddict['area'][group] = theoretical * flux * solidangle * concentration ddict['fitarea'][group] = fitresult['result'][group]['fitarea'] ddict['sigmaarea'][group] = fitresult['result'][group]['sigmaarea'] if elementsfrommatrix: if element in fluo.keys(): ddict['mass fraction'][group] = 1.0 * fluo[element]['mass fraction'] else: ddict['mass fraction'][group] = 0.0 ddict['area'][group] = theoretical * flux * solidangle *\ ddict['mass fraction'][group] else: ddict['mass fraction'][group] = concentration ddict['area'][group] = theoretical * flux * solidangle if config['mmolarflag']: #mM = (mass_fraction * density)/atomic_weight ddict['mmolar'] [group]= 1000000. *\ (multilayer[0][1] * ddict['mass fraction'][group])/Elements.Element[element]['mass'] #I have the globals/average values now I calculate layer per layer #if necessary ddict['layerlist'] = [] if matrix[0].upper() == "MULTILAYER": ilayer = 0 for layer in layerlist: if fitresult['result']['config']['multilayer'][layer][0]: ddict['layerlist'].append(layer) ddict[layer] = {} dict2 = ddict[layer] dict2['groups'] = groupsList dict2['elements'] = elements dict2['mass fraction'] = {} if config['mmolarflag']: dict2['mmolar'] = {} dict2['area'] = {} dict2['fitarea'] = {} fluo = fluolist[ilayer] for group in groupsList: item = group.split() element = item[0] transitions = item[1] + " xrays" if element in fluo.keys(): if transitions in fluo[element]: theoretical = fluo[element]['rates'][transitions] * 1 expected = theoretical * flux * solidangle if expected > 0.0: concentration = fitresult['result'][group]['fitarea']/expected else: concentration = -1 else: theoretical = 0.0 concentration = 0.0 else: theoretical = 0.0 concentration = 0.0 dict2['fitarea'][group] = 1 * fitresult['result'][group]['fitarea'] if elementsfrommatrix: if element in fluo.keys(): dict2['mass fraction'][group] = 1 * fluo[element]['mass fraction'] else: dict2['mass fraction'][group] = 0.0 #I calculate matrix in optimized form, #so I have to multiply by the mass fraction dict2['area'][group] = theoretical * flux * solidangle *\ dict2['mass fraction'][group] else: dict2['mass fraction'][group] = concentration dict2['area'][group] = theoretical * flux * solidangle if config['mmolarflag']: #mM = (mass_fraction * density)/atomic_weight dict2['mmolar'][group] = 1000000. *\ (multilayer[ilayer][1] * dict2['mass fraction'][group]) /\ Elements.Element[element]['mass'] #if group == "Pb L": # print "layer", ilayer,'area ', dict2['area'][group] # print "layer", ilayer,'mass fraction =', dict2['mass fraction'][group] ilayer += 1 if elementsfrommatrix: for group in groupsList: ddict['area'][group] = 0.0 for layer in ddict['layerlist']: if group in ddict[layer]['area'].keys(): ddict['area'][group] += ddict[layer]['area'][group] if (not elementsfrommatrix) and (xrfmcSecondary or secondary): corrections = None if xrfmcSecondary: if 'xrfmc' in fitresult: corrections = fitresult['xrfmc'].get('corrections', None) if corrections is None: if 'xrfmc' in fitresult['result']: corrections = fitresult['result']['xrfmc'].get('corrections', None) if corrections is None: # try to see if they were in the configuration if 'xrfmc' in fitresult['result']['config']: corrections = fitresult['result']['config']['xrfmc'].get('corrections', None) if corrections is None: # calculate the corrections corrections = XRFMCHelper.getXRFMCCorrectionFactors(fitresult['result']['config']) if not ('xrfmc' in fitresult): fitresult['xrfmc'] = {} fitresult['xrfmc']['corrections'] = corrections elif secondary: corrections = None if 'fisx' in fitresult: corrections = fitresult['fisx'].get('corrections', None) if corrections is not None: if fitresult['fisx']['secondary'] != secondary: # it was calculated with wrong secondary level corrections = None if corrections is None: # try to see if they were in the configuration # in principle this would be the most appropriate place to be # unless matrix/configuration has been somehow updated. if 'fisx' in fitresult['result']['config']: corrections = fitresult['result']['config']['fisx'].get('corrections', None) if corrections is not None: # check they were corrected with proper secondary level if fitresult['result']['config']['fisx'].get("secondary", -1) != \ secondary: corrections = None if corrections is None: # calculate the corrections oldValue = fitresult['result']['config']['concentrations']['usemultilayersecondary'] fitresult['result']['config']['concentrations']['usemultilayersecondary'] = secondary corrections = FisxHelper.getFisxCorrectionFactorsFromFitConfiguration( \ fitresult['result']['config'], elementsFromMatrix=False) fitresult['result']['config']['concentrations']['usemultilayersecondary'] = oldValue if not ('fisx' in fitresult['result']): fitresult['fisx'] = {} fitresult['fisx']['corrections'] = copy.deepcopy(corrections) fitresult['fisx']['secondary'] = secondary if referenceElement is not None: referenceLines = referenceTransitions.split()[0] referenceCorrection = corrections[referenceElement][referenceLines]\ ['correction_factor'][-1] else: referenceCorrection = 1.0 # now we have to apply the corrections for group in groupsList: item = group.split() element = item[0] lines = item[1] if element in corrections: if config['mmolarflag']: if ddict['mass fraction'][group] > 0.0: conversionFactor = ddict['mmolar'][group] / ddict['mass fraction'][group] else: conversionFactor = 1.0 correction = corrections[element][item[1]]['correction_factor'][-1] / \ referenceCorrection ddict['mass fraction'][group] /= correction if config['mmolarflag']: ddict['mmolar'][group] = ddict['mass fraction'][group] * conversionFactor if (matrix[0].upper() == "MULTILAYER") and (not xrfmcSecondary): iLayer = 0 for layer in layerlist: if fitresult['result']['config']['multilayer'][layer][0]: if config['mmolarflag']: if dict2['mass fraction'][group] > 0.0: conversionFactor = dict2['mmolar'][group] / dict2['mass fraction'][group] else: conversionFactor = 1.0 dict2 = ddict[layer] layerKey = "layer %d" % iLayer correction = corrections[element][item[1]][layerKey] \ ['correction_factor'][-1] / referenceCorrection dict2['mass fraction'][group] /= correction if config['mmolarflag']: dict2['mmolar'][group] = dict2['mass fraction'][group] * \ conversionFactor iLayer += 1 if addinfo: addInfo = {} addInfo['ReferenceElement'] = referenceElement addInfo['ReferenceTransitions'] = referenceTransitions addInfo['SolidAngle'] = solidangle if config['time'] > 0.0: addInfo['Time'] = config['time'] else: addInfo['Time'] = 1.0 addInfo['Flux'] = flux / addInfo['Time'] addInfo['I0'] = flux addInfo['DetectorDistance'] = config['distance'] addInfo['DetectorArea'] = config['area'] return ddict , addInfo else: return ddict def _figureOfMerit(self, element, fluo, fitresult): weight = 0.0 for transitions in fluo[element]['rates'].keys(): if fluo[element]['rates'][transitions] > 0.0: if (transitions[0] == "K") and (Elements.getz(element) > 18): factor = 2.0 elif (transitions[0] == "L") and (Elements.getz(element) > 54): factor = 1.5 else: factor = 1.0 group = element + " " + transitions.split()[0] if group in fitresult['result']['groups']: fitarea = fitresult['result'][group]['fitarea'] weightHelp = fitarea * fluo[element]['rates'][transitions] * factor * \ fluo[element]['mass fraction'] if weightHelp > weight: weight = weightHelp return weight def main(): import sys import getopt from PyMca5.PyMcaIO import ConfigDict if len(sys.argv) > 1: options = '' longoptions = ['flux=', 'time=', 'area=', 'distance=', 'attenuators=', 'usematrix='] tool = ConcentrationsTool() opts, args = getopt.getopt( sys.argv[1:], options, longoptions) config = tool.configure() for opt, arg in opts: if opt in ('--flux'): config['flux'] = float(arg) elif opt in ('--area'): config['area'] = float(arg) elif opt in ('--time'): config['time'] = float(arg) elif opt in ('--distance'): config['distance'] = float(arg) elif opt in ('--attenuators'): config['useattenuators'] = int(float(arg)) elif opt in ('--usematrix'): config['usematrix'] = int(float(arg)) tool.configure(config) filelist = args for filename in filelist: d = ConfigDict.ConfigDict() d.read(filename) for material in d['result']['config']['materials'].keys(): Elements.Material[material] =\ copy.deepcopy(d['result']['config']['materials'][material]) print(tool.processFitResult(fitresult=d, elementsfrommatrix=True)) else: print("Usage:") print("ConcentrationsTool [--flux=xxxx --area=xxxx] fitresultfile") if __name__ == "__main__": main() PyMca5-5.2.2/PyMca5/PyMcaPhysics/xrf/ElementHtml.py0000644000276300001750000003205513136054446021777 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" from . import Elements class ElementHtml(object): def __init__(self,element=None): self.element = None def gethtml(self,element=None): if element is None:element = self.element if element is None:return "" ele = element #text="
Summary
" text="" if ele not in Elements.Element.keys(): text+="
Unknown Element" return text symbol = Elements.getsymbol(Elements.getz(ele)) omegak = Elements.Element[ele]['omegak'] omegal = [ Elements.Element[ele]['omegal1'], Elements.Element[ele]['omegal2'], Elements.Element[ele]['omegal3'] ] omegam = [ Elements.Element[ele]['omegam1'], Elements.Element[ele]['omegam2'], Elements.Element[ele]['omegam3'], Elements.Element[ele]['omegam4'], Elements.Element[ele]['omegam5'] ] #text+="
text+="
Element Info" #text+="
" if 0: text+="
Name = %s" % Elements.Element[ele]['name'] text+="
Symbol = %s" % symbol text+="
At. Number = %d" % Elements.Element[ele]['Z'] text+="
At. Weight = %.5f" % Elements.Element[ele]['mass'] text+="
Density = %.5f" % Elements.Element[ele]['density'] else: hcolor = 'white' finalcolor = 'white' text+="" #symbol text+="" text+='" text+='" text+='" #Z text+="" text+='" text+='" text+='" #name text+="" text+='" text+='" text+='" #mass text+="" text+='" text+='" text+='" #density text+="" text+='" text+='" text+='" text+="" text+="
' % finalcolor text+="Symbol" text+="' % finalcolor text+="=" text+="' % finalcolor text+="%s " % symbol text+="
' % finalcolor text+="At. Number" text+="' % finalcolor text+="=" text+="' % finalcolor text+="%d " % Elements.Element[ele]['Z'] text+="
' % finalcolor text+="Name" text+="' % finalcolor text+="=" text+="' % finalcolor name = Elements.Element[ele]['name'][0].upper()+Elements.Element[ele]['name'][1:] text+="%s " % name text+="
' % finalcolor text+="At. Weight" text+="' % finalcolor text+="=" text+="' % finalcolor text+="%.5f " % Elements.Element[ele]['mass'] text+="
' % finalcolor text+="Density" text+="' % finalcolor text+="=" text+="' % finalcolor text+="%.5f g/cm3" % Elements.Element[ele]['density'] text+="
" # Shell propierties hcolor = 'white' finalcolor = 'white' if Elements.Element[ele]['Z'] > 2: text+="
Fluorescence Yields" text+="
" text+='" text+='" text+="" text+="" text+='" text+='" for i in range(len(omegal)): if omegal[i] > 0.0: text+="" text+='" text+='" for i in range(len(omegam)): if omegam[i] > 0.0: text+="" text+='" text+='" text+="" text+="
' % hcolor text+='Shell' text+="' % hcolor text+='Yield' text+="
' % finalcolor text+="%s " % "K" text+="' % finalcolor text+="%.3e " % omegak text+="
' % finalcolor text+="L%d " % (i+1) text+="' % finalcolor text+="%.3e " % omegal[i] text+="
' % finalcolor text+="M%d " % (i+1) text+="' % finalcolor text+="%.3e " % omegam[i] text+="
" hcolor = 'white' finalcolor = 'white' f = ['f12','f13','f23'] ck = [] doit = 0 for item in f: value = Elements.Element[ele]['CosterKronig']['L'][item] if value > 0:doit=1 ck.append(value) if doit: text+="
L-Shell Coster-Kronig" text+="
" for item in f: text+='" text+="" text+="" for i in range(len(f)): text+='" text+="" text+="
' % hcolor text+=item text+="
' % finalcolor text+="%.3f " % ck[i] text+="
" #M shell fs = [[ 'f12', 'f13', 'f14', 'f15'], ['f23', 'f24', 'f25'], ['f34', 'f35'], ['f45']] doit = 0 for f in fs: for item in f: value = Elements.Element[ele]['CosterKronig']['M'][item] if value > 0:doit=1 if doit: text+="
M-Shell Coster-Kronig" text+="
" for f in fs: text+="" for item in f: text+='" text+="" text+="" for item in f: text+='" text+="" text+="
' % hcolor text+=item text+="
' % finalcolor text+="%.3f " % Elements.Element[ele]['CosterKronig']['M'][item] text+="
" hcolor = 'white' finalcolor = 'white' for rays in Elements.Element[ele]['rays']: if rays == "Ka xrays":continue if rays == "Kb xrays":continue #text+="
" text+="
%s Emission Energies" % rays[0:-1] #text+="
" if 0: for transition in Elements.Element[ele][rays]: text+="
%s energy = %.5f rate = %.5f" % (transition,Elements.Element[ele][transition]['energy'], Elements.Element[ele][transition]['rate']) else: text+="
" text+='" text+='" text+='" text+="" for transition in Elements.Element[ele][rays]: transitiontext = transition.replace('*','') text+="" text+='" text+='" text+='" text+="" text+="
' % hcolor text+='Line' text+="' % hcolor text+='Energy (keV)' text+="' % hcolor text+='Rate' text+="
' % finalcolor text+="%s " % transitiontext text+="' % finalcolor text+="%.5f" % Elements.Element[ele][transition]['energy'] text+="' % finalcolor text+="%.5f " % Elements.Element[ele][transition]['rate'] text+="
" hcolor = 'white' finalcolor = 'white' #text+="
" text+="
%s Binding Energies" % "Electron" #text+="
" text+="
" text+='" text+='" text+="" for shell in Elements.ElementShells: if Elements.Element[ele]['binding'][shell] > 0.0: text+="" text+='" text+='" text+="" text+="
' % hcolor text+='Shell' text+="' % hcolor text+='Energy (keV)' text+="
' % finalcolor text+="%s " % shell text+="' % finalcolor text+="%.5f " % Elements.Element[ele]['binding'][shell] text+="
" return text if __name__ == "__main__": import sys from PyMca5 import PyMcaQt as qt app = qt.QApplication(sys.argv) if len(sys.argv) > 1: ele = sys.argv[1] else: ele = "Fe" w= qt.QWidget() l=qt.QVBoxLayout(w) html = ElementHtml() text = qt.QTextEdit(w) text.insertHtml(html.gethtml(ele)) text.setReadOnly(1) l.addWidget(text) w.show() app.exec_() PyMca5-5.2.2/PyMca5/PyMcaPhysics/xrf/McaAdvancedFitBatch.py0000644000276300001750000012544613205526205023315 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2017 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os import numpy from . import ClassMcaTheory from PyMca5.PyMcaCore import SpecFileLayer from PyMca5.PyMcaCore import EdfFileLayer from PyMca5.PyMcaIO import EdfFile from PyMca5.PyMcaIO import LuciaMap from PyMca5.PyMcaIO import AifiraMap from PyMca5.PyMcaIO import EDFStack from PyMca5.PyMcaIO import LispixMap from PyMca5.PyMcaIO import NumpyStack try: import h5py from PyMca5.PyMcaIO import HDF5Stack1D HDF5SUPPORT = True except ImportError: HDF5SUPPORT = False from PyMca5.PyMcaIO import ConfigDict from . import ConcentrationsTool class McaAdvancedFitBatch(object): def __init__(self,initdict,filelist=None,outputdir=None, roifit=None,roiwidth=None, overwrite=1, filestep=1, mcastep=1, concentrations=0, fitfiles=1, fitimages=1, filebeginoffset = 0, fileendoffset=0, mcaoffset=0, chunk = None, selection=None, lock=None, nosave=None, quiet=False): #for the time being the concentrations are bound to the .fit files #that is not necessary, but it will be correctly implemented in #future releases self._lock = lock if nosave: self._nosave = True else: self._nosave = False self.fitFiles = fitfiles self._concentrations = concentrations if type(initdict) == type([]): self.mcafit = ClassMcaTheory.McaTheory(initdict[mcaoffset]) self.__configList = initdict self.__currentConfig = mcaoffset else: self.__configList = [initdict] self.__currentConfig = 0 self.mcafit = ClassMcaTheory.McaTheory(initdict) self.__concentrationsKeys = [] if self._concentrations: self._tool = ConcentrationsTool.ConcentrationsTool() self._toolConversion = ConcentrationsTool.ConcentrationsConversion() self.setFileList(filelist) self.setOutputDir(outputdir) if fitimages: self.fitImages= 1 self.__ncols = None else: self.fitImages = False self.__ncols = None self.fileStep = filestep self.mcaStep = mcastep self.useExistingFiles = not overwrite self.savedImages=[] if roifit is None:roifit = False if roiwidth is None:roiwidth = 100. self.pleaseBreak = 0 self.roiFit = roifit self.roiWidth = roiwidth self.fileBeginOffset = filebeginoffset self.fileEndOffset = fileendoffset self.mcaOffset = mcaoffset self.chunk = chunk self.selection = selection self.quiet = quiet def setFileList(self,filelist=None): self._rootname = "" if filelist is None: filelist = [] if type(filelist) not in [type([]), type((2,))]: filelist = [filelist] self._filelist=filelist if len(filelist): if type(filelist[0]) is not numpy.ndarray: self._rootname = self.getRootName(filelist) def getRootName(self,filelist=None): if filelist is None:filelist = self._filelist first = os.path.basename(filelist[ 0]) last = os.path.basename(filelist[-1]) if first == last:return os.path.splitext(first)[0] name1,ext1 = os.path.splitext(first) name2,ext2 = os.path.splitext(last ) i0=0 for i in range(len(name1)): if i >= len(name2): break elif name1[i] == name2[i]: pass else: break i0 = i for i in range(i0,len(name1)): if i >= len(name2): break elif name1[i] != name2[i]: pass else: break i1 = i if i1 > 0: delta=1 while (i1-delta): if (last[(i1-delta)] in ['0', '1', '2', '3', '4', '5', '6', '7', '8', '9']): delta = delta + 1 else: if delta > 1: delta = delta -1 break rootname = name1[0:]+"_to_"+last[(i1-delta):] else: rootname = name1[0:]+"_to_"+last[0:] return rootname def setOutputDir(self,outputdir=None): if outputdir is None:outputdir=os.getcwd() self._outputdir = outputdir def processList(self): self.counter = 0 self.__row = self.fileBeginOffset - 1 self.__stack = None for i in range(0+self.fileBeginOffset, len(self._filelist)-self.fileEndOffset, self.fileStep): if not self.roiFit: if len(self.__configList) > 1: if i != 0: self.mcafit = ClassMcaTheory.McaTheory(self.__configList[i]) self.__currentConfig = i self.mcafit.enableOptimizedLinearFit() inputfile = self._filelist[i] self.__row += 1 #should be plus fileStep? self.onNewFile(inputfile, self._filelist) self.file = self.getFileHandle(inputfile) if self.pleaseBreak: break if self.__stack is None: self.__stack = False if hasattr(self.file, "info"): if "SourceType" in self.file.info: if self.file.info["SourceType"] in\ ["EdfFileStack", "HDF5Stack1D"]: self.__stack = True if self.__stack: self.__processStack() if self._HDF5: # The complete stack has been analyzed break else: self.__processOneFile() if self.counter: if not self.roiFit: if self.fitFiles: self.listfile.write(']\n') self.listfile.close() if (self.__ncols is not None) and (not self._nosave): if self.__ncols:self.saveImage() self.onEnd() def getFileHandle(self,inputfile): try: self._HDF5 = False if type(inputfile) == numpy.ndarray: try: a = NumpyStack.NumpyStack(inputfile) return a except Exception as e: # print e raise if HDF5SUPPORT: if h5py.is_hdf5(inputfile): self._HDF5 = True try: return HDF5Stack1D.HDF5Stack1D(self._filelist, self.selection) except: raise ffile = self.__tryEdf(inputfile) if ffile is None: ffile = self.__tryLucia(inputfile) if ffile is None: if inputfile[-3:] == "DAT": ffile = self.__tryAifira(inputfile) if ffile is None: if LispixMap.isLispixMapFile(inputfile): ffile = LispixMap.LispixMap(inputfile, native=False) if (ffile is None): del ffile ffile = SpecFileLayer.SpecFileLayer() ffile.SetSource(inputfile) return ffile except: raise IOError("I do not know what to do with file %s" % inputfile) def onNewFile(self,ffile, filelist): if not self.quiet: self.__log(ffile) def onImage(self,image,imagelist): pass def onMca(self,mca,nmca, filename=None, key=None, info=None): pass def onEnd(self): pass def __log(self,text): print(text) def __tryEdf(self,inputfile): try: ffile = EdfFileLayer.EdfFileLayer(fastedf=0) ffile.SetSource(inputfile) fileinfo = ffile.GetSourceInfo() if fileinfo['KeyList'] == []: ffile=None elif len(self._filelist) == 1: #Is it a Diamond stack? if len(fileinfo['KeyList']) > 1: info, data = ffile.LoadSource(fileinfo['KeyList'][0]) shape = data.shape if len(shape) == 2: if min(shape) == 1: #It is a Diamond Stack ffile=EDFStack.EDFStack(inputfile) return ffile except: return None def __tryLucia(self, inputfile): f = open(inputfile) line = f.readline() f.close() ffile = None if line.startswith('#\tDate:'): ffile = LuciaMap.LuciaMap(inputfile) return ffile def __tryAifira(self, inputfile): if sys.platform == "win32": f = open(inputfile,"rb") else: f = open(inputfile,"r") line = f.read(3) f.close() if '#' in line: #specfile return None ffile = None try: ffile = AifiraMap.AifiraMap(inputfile) except: ffile = None return ffile def __processStack(self): stack = self.file info = stack.info data = stack.data xStack = None if hasattr(stack, "x"): if stack.x not in [None, []]: if type(stack.x) == type([]): xStack = stack.x[0] else: print("THIS SHOULD NOT BE USED") xStack = stack.x nimages = stack.info['Dim_1'] self.__nrows = nimages numberofmca = stack.info['Dim_2'] keylist = ["1.1"] * nimages for i in range(nimages): keylist[i] = "1.%04d" % i for i in range(nimages): if self.pleaseBreak: break self.onImage(keylist[i], keylist) self.__ncols = numberofmca colsToIter = range(0+self.mcaOffset, numberofmca, self.mcaStep) self.__row = i self.__col = -1 try: cache_data = data[i, :, :] except: print("Error reading dataset row %d" % i) print(sys.exc_info()) print("Batch resumed") continue for mca in colsToIter: if self.pleaseBreak: break self.__col = mca mcadata = cache_data[mca, :] y0 = numpy.array(mcadata) if xStack is None: if 'MCA start ch' in info: xmin = float(info['MCA start ch']) else: xmin = 0.0 x = numpy.arange(len(y0))*1.0 + xmin else: x = xStack #key = "%s.%s.%02d.%02d" % (scan,order,row,col) key = "%s.%04d" % (keylist[i], mca) #I only process the first file of the stack? filename = os.path.basename(info['SourceName'][0]) infoDict = {} infoDict['SourceName'] = info['SourceName'] infoDict['Key'] = key self.__processOneMca(x,y0,filename,key,info=infoDict) self.onMca(mca, numberofmca, filename=filename, key=key, info=infoDict) def __processOneFile(self): ffile=self.file fileinfo = ffile.GetSourceInfo() if 1: i = 0 for scankey in fileinfo['KeyList']: if self.pleaseBreak: break self.onImage(scankey, fileinfo['KeyList']) scan,order = scankey.split(".") info,data = ffile.LoadSource(scankey) if info['SourceType'] == "EdfFile": nrows = int(info['Dim_1']) ncols = int(info['Dim_2']) numberofmca = ncols self.__ncols = len(range(0+self.mcaOffset,numberofmca,self.mcaStep)) self.__col = -1 for mca_index in range(self.__ncols): mca = 0 + self.mcaOffset + mca_index * self.mcaStep if self.pleaseBreak: break self.__col += 1 mcadata = data[mca,:] if 'MCA start ch' in info: xmin = float(info['MCA start ch']) else: xmin = 0.0 key = "%s.%s.%04d" % (scan,order,mca) y0 = numpy.array(mcadata) x = numpy.arange(len(y0))*1.0 + xmin filename = os.path.basename(info['SourceName']) infoDict = {} infoDict['SourceName'] = info['SourceName'] infoDict['Key'] = key infoDict['McaLiveTime'] = info.get('McaLiveTime', None) self.__processOneMca(x,y0,filename,key,info=infoDict) self.onMca(mca, numberofmca, filename=filename, key=key, info=infoDict) else: if info['NbMca'] > 0: self.fitImages = True numberofmca = info['NbMca'] * 1 self.__ncols = len(range(0+self.mcaOffset, numberofmca,self.mcaStep)) numberOfMcaToTakeFromScan = self.__ncols * 1 self.__col = -1 scan_key = "%s.%s" % (scan,order) scan_obj= ffile.Source.select(scan_key) #I assume always same number of detectors and #same offset for each detector otherways I would #slow down everything to deal with not very common #situations #if self.__row == 0: if self.counter == 0: self.__chann0List = numpy.zeros(info['NbMcaDet']) chan0list = scan_obj.header('@CHANN') if len(chan0list): for i in range(info['NbMcaDet']): self.__chann0List[i] = int(chan0list[i].split()[2]) # The calculation of self.__ncols is wrong if there are # several scans containing MCAs. One needs to multiply by # the number of scans assuming all of them contain MCAs. # We have to assume the same structure in all files. # Only in the case of "pseudo" two scan files where only # the second scan contains MCAs we do not multiply. if (len(fileinfo['KeyList']) == 2) and (fileinfo['KeyList'].index(scan_key) == 1): # leave self.__ncols untouched self.__ncolsModified = False else: # multiply by the number of scans self.__ncols *= len(fileinfo['KeyList']) self.__ncolsModified = True #import time for mca_index in range(numberOfMcaToTakeFromScan): i = 0 + self.mcaOffset + mca_index * self.mcaStep #e0 = time.time() if self.pleaseBreak: break if self.__ncolsModified: self.__col = i + \ fileinfo['KeyList'].index(scan_key) * \ numberofmca else: self.__col += 1 point = int(i/info['NbMcaDet']) + 1 mca = (i % info['NbMcaDet']) + 1 key = "%s.%s.%05d.%d" % (scan,order,point,mca) autotime = self.mcafit.config["concentrations"].get(\ "useautotime", False) if autotime: #slow info reading methods needed to access time mcainfo,mcadata = ffile.LoadSource(key) info['McaLiveTime'] = mcainfo.get('McaLiveTime', None) else: mcadata = scan_obj.mca(i+1) y0 = numpy.array(mcadata) x = numpy.arange(len(y0))*1.0 + \ self.__chann0List[mca-1] filename = os.path.basename(info['SourceName']) infoDict = {} infoDict['SourceName'] = info['SourceName'] infoDict['Key'] = key infoDict['McaLiveTime'] = info.get('McaLiveTime', None) self.__processOneMca(x,y0,filename,key,info=infoDict) self.onMca(i, info['NbMca'],filename=filename, key=key, info=infoDict) #print "remaining = ",(time.time()-e0) * (info['NbMca'] - i) def __getFitFile(self, filename, key): fitdir = self.os_path_join(self._outputdir,"FIT") fitdir = self.os_path_join(fitdir,filename+"_FITDIR") outfile = filename +"_"+key+".fit" outfile = self.os_path_join(fitdir, outfile) return outfile def os_path_join(self, a, b): try: outfile=os.path.join(a, b) except UnicodeDecodeError: toBeDone = True if sys.platform == 'win32': try: outfile=os.path.join(a.decode('mbcs'), b.decode('mbcs')) toBeDone = False except UnicodeDecodeError: pass if toBeDone: try: outfile = os.path.join(a.decode('utf-8'), a.decode('utf-8')) except UnicodeDecodeError: outfile = os.path.join(a.decode('latin-1'), a.decode('latin-1')) return outfile def __processOneMca(self,x,y,filename,key,info=None): self._concentrationsAsAscii = "" if not self.roiFit: result = None concentrationsdone = 0 concentrations = None outfile=self.os_path_join(self._outputdir, filename) fitfile = self.__getFitFile(filename,key) if self.chunk is not None: con_extension = "_%06d_partial_concentrations.txt" % self.chunk else: con_extension = "_concentrations.txt" self._concentrationsFile = self.os_path_join(self._outputdir, self._rootname+ con_extension) # self._rootname+"_concentrationsNEW.txt") if self.counter == 0: if os.path.exists(self._concentrationsFile): try: os.remove(self._concentrationsFile) except: print("I could not delete existing concentrations file %s" %\ self._concentrationsFile) #print "self._concentrationsFile", self._concentrationsFile if self.useExistingFiles and os.path.exists(fitfile): useExistingResult = 1 try: dict = ConfigDict.ConfigDict() dict.read(fitfile) result = dict['result'] if 'concentrations' in dict: concentrationsdone = 1 except: print("Error trying to use result file %s" % fitfile) print("Please, consider deleting it.") print(sys.exc_info()) return else: useExistingResult = 0 try: #I make sure I take the fit limits configuration self.mcafit.config['fit']['use_limit'] = 1 self.mcafit.setData(x,y, time=info.get("McaLiveTime", None)) except: print("Error entering data of file with output = %s\n%s" %\ (filename, sys.exc_info()[1])) # make sure the configuration is restored if self.mcafit.config['fit'].get("strategyflag", False): config = self.__configList[self.__currentConfig] print("Restoring fitconfiguration") self.mcafit = ClassMcaTheory.McaTheory(config) self.mcafit.enableOptimizedLinearFit() return try: self.mcafit.estimate() if self.fitFiles: fitresult, result = self.mcafit.startfit(digest=1) elif self._concentrations and (self.mcafit._fluoRates is None): fitresult, result = self.mcafit.startfit(digest=1) elif self._concentrations: fitresult = self.mcafit.startfit(digest=0) try: fitresult0 = {} fitresult0['fitresult'] = fitresult fitresult0['result'] = self.mcafit.imagingDigestResult() fitresult0['result']['config'] = self.mcafit.config conf = self.mcafit.configure() tconf = self._tool.configure() if 'concentrations' in conf: tconf.update(conf['concentrations']) else: #what to do? pass concentrations = self._tool.processFitResult(config=tconf, fitresult=fitresult0, elementsfrommatrix=False, fluorates = self.mcafit._fluoRates) except: print("error in concentrations") print(sys.exc_info()[0:-1]) concentrationsdone = True else: #just images fitresult = self.mcafit.startfit(digest=0) except: print("Error fitting file with output = %s: %s)" %\ (filename, sys.exc_info()[1])) if self.mcafit.config['fit'].get("strategyflag", False): config = self.__configList[self.__currentConfig] print("Restoring fitconfiguration") self.mcafit = ClassMcaTheory.McaTheory(config) self.mcafit.enableOptimizedLinearFit() return if self._concentrations: if concentrationsdone == 0: if not ('concentrations' in result): if useExistingResult: fitresult0={} fitresult0['result'] = result conf = result['config'] else: fitresult0={} if result is None: result = self.mcafit.digestresult() fitresult0['result'] = result fitresult0['fitresult'] = fitresult conf = self.mcafit.configure() tconf = self._tool.configure() if 'concentrations' in conf: tconf.update(conf['concentrations']) else: pass #print "Concentrations not calculated" #print "Is your fit configuration file correct?" #return try: concentrations = self._tool.processFitResult(config=tconf, fitresult=fitresult0, elementsfrommatrix=False) except: print("error in concentrations") print(sys.exc_info()[0:-1]) #return self._concentrationsAsAscii=self._toolConversion.getConcentrationsAsAscii(concentrations) if len(self._concentrationsAsAscii) > 1: text = "" text += "SOURCE: "+ filename +"\n" text += "KEY: "+key+"\n" text += self._concentrationsAsAscii + "\n" f=open(self._concentrationsFile,"a") f.write(text) f.close() #output options # .FIT files if self.fitFiles: fitdir = self.os_path_join(self._outputdir,"FIT") if not os.path.exists(fitdir): try: os.mkdir(fitdir) except: print("I could not create directory %s" % fitdir) return fitdir = self.os_path_join(fitdir,filename+"_FITDIR") if not os.path.exists(fitdir): try: os.mkdir(fitdir) except: print("I could not create directory %s" % fitdir) return if not os.path.isdir(fitdir): print("%s does not seem to be a valid directory" % fitdir) else: outfile = filename +"_"+key+".fit" outfile = self.os_path_join(fitdir, outfile) if not useExistingResult: result = self.mcafit.digestresult(outfile=outfile, info=info) if concentrations is not None: try: f=ConfigDict.ConfigDict() f.read(outfile) f['concentrations'] = concentrations try: os.remove(outfile) except: print("error deleting fit file") f.write(outfile) except: print("Error writing concentrations to fit file") print(sys.exc_info()) #python like output list if not self.counter: name = os.path.splitext(self._rootname)[0]+"_fitfilelist.py" name = self.os_path_join(self._outputdir,name) try: os.remove(name) except: pass self.listfile=open(name,"w+") self.listfile.write("fitfilelist = [") self.listfile.write('\n'+outfile) else: self.listfile.write(',\n'+outfile) else: if not useExistingResult: if 0: #this is very slow and not needed just for imaging if result is None: result = self.mcafit.digestresult() else: if result is None: result = self.mcafit.imagingDigestResult() #IMAGES if self.fitImages: #this only works with EDF if self.__ncols is not None: if not self.counter: if not self._nosave: imgdir = self.os_path_join(self._outputdir,"IMAGES") if not os.path.exists(imgdir): try: os.mkdir(imgdir) except: print("I could not create directory %s" %\ imgdir) return elif not os.path.isdir(imgdir): print("%s does not seem to be a valid directory" %\ imgdir) self.imgDir = imgdir self.__peaks = [] self.__images = {} self.__sigmas = {} if not self.__stack: self.__nrows = len(range(0, len(self._filelist), self.fileStep)) for group in result['groups']: self.__peaks.append(group) self.__images[group]= numpy.zeros((self.__nrows, self.__ncols), numpy.float) self.__sigmas[group]= numpy.zeros((self.__nrows, self.__ncols), numpy.float) self.__images['chisq'] = numpy.zeros((self.__nrows, self.__ncols), numpy.float) - 1. if self._concentrations: layerlist = concentrations['layerlist'] if 'mmolar' in concentrations: self.__conLabel = " mM" self.__conKey = "mmolar" else: self.__conLabel = " mass fraction" self.__conKey = "mass fraction" for group in concentrations['groups']: key = group+self.__conLabel self.__concentrationsKeys.append(key) self.__images[key] = numpy.zeros((self.__nrows, self.__ncols), numpy.float) if len(layerlist) > 1: for layer in layerlist: key = group+" "+layer self.__concentrationsKeys.append(key) self.__images[key] = numpy.zeros((self.__nrows, self.__ncols), numpy.float) for peak in self.__peaks: try: self.__images[peak][self.__row, self.__col] = result[peak]['fitarea'] self.__sigmas[peak][self.__row, self.__col] = result[peak]['sigmaarea'] except: pass if self._concentrations: layerlist = concentrations['layerlist'] for group in concentrations['groups']: self.__images[group+self.__conLabel][self.__row, self.__col] = \ concentrations[self.__conKey][group] if len(layerlist) > 1: for layer in layerlist: self.__images[group+" "+layer] [self.__row, self.__col] = \ concentrations[layer][self.__conKey][group] try: self.__images['chisq'][self.__row, self.__col] = result['chisq'] except: print("Error on chisq row %d col %d" %\ (self.__row, self.__col)) print("File = %s\n" % filename) pass else: dict=self.mcafit.roifit(x,y,width=self.roiWidth) #this only works with EDF if self.__ncols is not None: self.imgDir=None if not self.counter: if not self._nosave: imgdir = self.os_path_join(self._outputdir,"IMAGES") if not os.path.exists(imgdir): try: os.mkdir(imgdir) except: print("I could not create directory %s" %\ imgdir) return elif not os.path.isdir(imgdir): print("%s does not seem to be a valid directory" %\ imgdir) self.imgDir = imgdir self.__ROIpeaks = [] self._ROIimages = {} if not self.__stack: self.__nrows = len(self._filelist) for group in dict.keys(): self.__ROIpeaks.append(group) self._ROIimages[group]={} for roi in dict[group].keys(): self._ROIimages[group][roi]=numpy.zeros((self.__nrows, self.__ncols), numpy.float) if not hasattr(self, "_ROIimages"): print("ROI fitting only supported on EDF") for group in self.__ROIpeaks: for roi in self._ROIimages[group].keys(): try: self._ROIimages[group][roi][self.__row, self.__col] = dict[group][roi] except: print("error on (row,col) = %d,%d" %\ (self.__row, self.__col)) print("File = %s" % filename) pass #update counter self.counter += 1 def saveImage(self,ffile=None): self.savedImages=[] if ffile is None: ffile = os.path.splitext(self._rootname)[0] ffile = self.os_path_join(self.imgDir,ffile) if not self.roiFit: if (self.fileStep > 1) or (self.mcaStep > 1): trailing = "_filestep_%02d_mcastep_%02d" % ( self.fileStep, self.mcaStep ) else: trailing = "" #speclabel = "#L row column" speclabel = "row column" if self.chunk is None: suffix = ".edf" else: suffix = "_%06d_partial.edf" % self.chunk iterationList = self.__peaks * 1 iterationList += ['chisq'] if self._concentrations: iterationList += self.__concentrationsKeys for peak in iterationList: if peak in self.__peaks: a,b = peak.split() speclabel +=" %s" % (a+"-"+b) speclabel +=" s(%s)" % (a+"-"+b) edfname = ffile +"_"+a+"_"+b+trailing+suffix elif peak in self.__concentrationsKeys: speclabel +=" %s" % peak.replace(" ","-") edfname = ffile +"_"+peak.replace(" ","_")+trailing+suffix elif peak == 'chisq': speclabel +=" %s" % (peak) edfname = ffile +"_"+peak+trailing+suffix else: print("Unhandled peak name: %s. Not saved." % peak) continue dirname = os.path.dirname(edfname) if not os.path.exists(dirname): try: os.mkdir(dirname) except: print("I could not create directory %s" % dirname) Append = 0 if os.path.exists(edfname): try: os.remove(edfname) except: print("I cannot delete output file") print("trying to append image to the end") Append = 1 edfout = EdfFile.EdfFile(edfname, access='ab') edfout.WriteImage ({'Title':peak} , self.__images[peak], Append=Append) edfout = None self.savedImages.append(edfname) #save specfile format if self.chunk is None: specname = ffile+trailing+".dat" else: specname = ffile+trailing+"_%06d_partial.dat" % self.chunk if os.path.exists(specname): try: os.remove(specname) except: pass specfile=open(specname,'w+') #specfile.write('\n') #specfile.write('#S 1 %s\n' % (file+trailing)) #specfile.write('#N %d\n' % (len(self.__peaks)+2)) specfile.write('%s\n' % speclabel) specline="" imageRows = self.__images['chisq'].shape[0] imageColumns = self.__images['chisq'].shape[1] for row in range(imageRows): for col in range(imageColumns): specline += "%d" % row specline += " %d" % col for peak in self.__peaks: #write area specline +=" %g" % self.__images[peak][row][col] #write sigma area specline +=" %g" % self.__sigmas[peak][row][col] #write global chisq specline +=" %g" % self.__images['chisq'][row][col] if self._concentrations: for peak in self.__concentrationsKeys: specline +=" %g" % self.__images[peak][row][col] specline += "\n" specfile.write("%s" % specline) specline ="" specfile.write("\n") specfile.close() else: for group in self.__ROIpeaks: i = 0 grouptext = group.replace(" ","_") for roi in self._ROIimages[group].keys(): #roitext = roi.replace(" ","-") if (self.fileStep > 1) or (self.mcaStep > 1): edfname = ffile+"_"+grouptext+("_%04deVROI_filestep_%02d_mcastep_%02d.edf" % (self.roiWidth, self.fileStep, self.mcaStep )) else: edfname = ffile+"_"+grouptext+("_%04deVROI.edf" % self.roiWidth) dirname = os.path.dirname(edfname) if not os.path.exists(dirname): try: os.mkdir(dirname) except: print("I could not create directory %s" % dirname) edfout = EdfFile.EdfFile(edfname) edfout.WriteImage ({'Title':group+" "+roi} , self._ROIimages[group][roi], Append=i) if i==0: self.savedImages.append(edfname) i=1 if __name__ == "__main__": import getopt options = 'f' longoptions = ['cfg=','pkm=','outdir=','roifit=','roi=','roiwidth='] filelist = None outdir = None cfg = None roifit = 0 roiwidth = 250. opts, args = getopt.getopt( sys.argv[1:], options, longoptions) for opt,arg in opts: if opt in ('--pkm','--cfg'): cfg = arg elif opt in ('--outdir'): outdir = arg elif opt in ('--roi','--roifit'): roifit = int(arg) elif opt in ('--roiwidth'): roiwidth = float(arg) filelist=args if len(filelist) == 0: print("No input files, run GUI") sys.exit(0) b = McaAdvancedFitBatch(cfg,filelist,outdir,roifit,roiwidth) b.processList() PyMca5-5.2.2/PyMca5/PyMcaPhysics/xrf/LShell.py0000644000276300001750000002462213136054446020745 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2016 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import os import numpy from PyMca5.PyMcaIO import specfile from PyMca5 import getDataFile sf=specfile.Specfile(getDataFile("LShellRates.dat")) ElementL1ShellTransitions = sf[0].alllabels() ElementL2ShellTransitions = sf[1].alllabels() ElementL3ShellTransitions = sf[2].alllabels() ElementL1ShellRates = numpy.transpose(sf[0].data()).tolist() ElementL2ShellRates = numpy.transpose(sf[1].data()).tolist() ElementL3ShellRates = numpy.transpose(sf[2].data()).tolist() sf=specfile.Specfile(getDataFile("LShellConstants.dat")) ElementL1ShellConstants = sf[0].alllabels() ElementL2ShellConstants = sf[1].alllabels() ElementL3ShellConstants = sf[2].alllabels() ElementL1ShellValues = numpy.transpose(sf[0].data()).tolist() ElementL2ShellValues = numpy.transpose(sf[1].data()).tolist() ElementL3ShellValues = numpy.transpose(sf[2].data()).tolist() sf=None fname = getDataFile("EADL97_LShellConstants.dat") sf = specfile.Specfile(fname) EADL97_ElementL1ShellConstants = sf[0].alllabels() EADL97_ElementL2ShellConstants = sf[1].alllabels() EADL97_ElementL3ShellConstants = sf[2].alllabels() EADL97_ElementL1ShellValues = numpy.transpose(sf[0].data()).tolist() EADL97_ElementL2ShellValues = numpy.transpose(sf[1].data()).tolist() EADL97_ElementL3ShellValues = numpy.transpose(sf[2].data()).tolist() EADL97 = True sf = None Elements = ['H', 'He', 'Li', 'Be', 'B', 'C', 'N', 'O', 'F', 'Ne', 'Na', 'Mg', 'Al', 'Si', 'P', 'S', 'Cl', 'Ar', 'K', 'Ca', 'Sc', 'Ti', 'V', 'Cr', 'Mn', 'Fe', 'Co', 'Ni', 'Cu', 'Zn', 'Ga', 'Ge', 'As', 'Se', 'Br', 'Kr', 'Rb', 'Sr', 'Y', 'Zr', 'Nb', 'Mo', 'Tc', 'Ru', 'Rh', 'Pd', 'Ag', 'Cd', 'In', 'Sn', 'Sb', 'Te', 'I', 'Xe', 'Cs', 'Ba', 'La', 'Ce', 'Pr', 'Nd', 'Pm', 'Sm', 'Eu', 'Gd', 'Tb', 'Dy', 'Ho', 'Er', 'Tm', 'Yb', 'Lu', 'Hf', 'Ta', 'W', 'Re', 'Os', 'Ir', 'Pt', 'Au', 'Hg', 'Tl', 'Pb', 'Bi', 'Po', 'At', 'Rn', 'Fr', 'Ra', 'Ac', 'Th', 'Pa', 'U', 'Np', 'Pu', 'Am', 'Cm', 'Bk', 'Cf', 'Es', 'Fm', 'Md', 'No', 'Lr', 'Rf', 'Db', 'Sg', 'Bh', 'Hs', 'Mt'] def getsymbol(z): return Elements[z-1] def getz(ele): return Elements.index(ele)+1 #fluorescence yields def getomegal1(ele): zEle = getz(ele) index = ElementL1ShellConstants.index('omegaL1') value = ElementL1ShellValues[zEle-1][index] if (value <= 0.0) and EADL97: #extend with EADL97 values if zEle > 99: #just to avoid a crash #I do not expect any fluorescent analysis of these elements ... zEle = 99 index = EADL97_ElementL1ShellConstants.index('omegaL1') value = EADL97_ElementL1ShellValues[zEle-1][index] return value def getomegal2(ele): zEle = getz(ele) index = ElementL2ShellConstants.index('omegaL2') value = ElementL2ShellValues[zEle-1][index] if (value <= 0.0) and EADL97: #extend with EADL97 values if zEle > 99: #just to avoid a crash #I do not expect any fluorescent analysis of these elements ... zEle = 99 index = EADL97_ElementL2ShellConstants.index('omegaL2') value = EADL97_ElementL2ShellValues[zEle-1][index] return value def getomegal3(ele): zEle = getz(ele) index = ElementL3ShellConstants.index('omegaL3') value = ElementL3ShellValues[zEle-1][index] if (value <= 0.0) and EADL97: #extend with EADL97 values if zEle > 99: #just to avoid a crash #I do not expect any fluorescent analysis of these elements ... zEle = 99 index = EADL97_ElementL3ShellConstants.index('omegaL3') value = EADL97_ElementL3ShellValues[zEle-1][index] return value def getCosterKronig(ele): ck = {} transitions = [ 'f12', 'f13', 'f23'] zEle = getz(ele) if zEle > 99: #just to avoid a crash #I do not expect any fluorescent analysis of these elements ... EADL_z = 99 else: EADL_z = zEle ckEADL = {} ckSum = 0.0 for t in transitions: if t in ElementL1ShellConstants: index = ElementL1ShellConstants.index(t) ck[t] = ElementL1ShellValues[zEle-1][index] if EADL97: #extend with EADL97 values index = EADL97_ElementL1ShellConstants.index(t) ckEADL[t] = EADL97_ElementL1ShellValues[EADL_z-1][index] elif t in ElementL2ShellConstants: index = ElementL2ShellConstants.index(t) ck[t] = ElementL2ShellValues[zEle-1][index] if EADL97: #extend with EADL97 values index = EADL97_ElementL2ShellConstants.index(t) ckEADL[t] = EADL97_ElementL2ShellValues[EADL_z-1][index] elif t in ElementL3ShellConstants: index = ElementL3ShellConstants.index(t) ck[t] = ElementL3ShellValues[zEle-1][index] if EADL97: #extend with EADL97 values index = EADL97_ElementL3ShellConstants.index(t) ckEADL[t] = EADL97_ElementL3ShellValues[EADL_z-1][index] else: print("%s not in L-Shell Coster-Kronig transitions" % t) continue ckSum += ck[t] if ckSum > 0.0: #I do not force EADL97 because of compatibility #with previous versions. I may offer forcing to #EADL97 in the future. return ck elif EADL97: #extended values if defined #for instance, the region from Mg to Cl return ckEADL else: return ck #Jump ratios following Veigele: Atomic Data Tables 5 (1973) 51-111. p 54 and 55 def getjl1(z): return 1.2 def getjl2(z): return 1.4 def getjl3(z): return (80.0/z) + 1.5 def getwjump(ele,excitedshells=[1.0,1.0,1.0]): """ wjump represents the probability for a vacancy to be created on the respective L-Shell by direct photoeffect on that shell """ z = getz(ele) #weights due to photoeffect jl = [getjl1(z), getjl2(z), getjl3(z)] wjump = [] i = 0 cum = 0.00 for jump in jl: v = excitedshells[i]*(jump-1.0)/jump wjump.append(v) cum += v i+=1 for i in range(len(wjump)): wjump[i] = wjump[i] / cum return wjump def getweights(ele,excitedshells=None): if type(ele) == type(" "): pass else: ele = getsymbol(int(ele)) if excitedshells == None:excitedshells=[1.0,1.0,1.0] w = getwjump(ele,excitedshells) #weights due to Coster Kronig transitions and fluorescence yields ck= getCosterKronig(ele) w[0] *= 1.0 w[1] *= (1.0 + ck['f12'] * w[0]) w[2] *= (1.0 + ck['f13'] * w[0] + ck['f23'] * w[1]) omega = [ getomegal1(ele), getomegal2(ele), getomegal3(ele)] for i in range(len(w)): w[i] *= omega[i] cum = sum(w) for i in range(len(w)): if cum > 0.0: w[i] /= cum return w if 'TOTAL' in ElementL1ShellTransitions: labeloffset = 2 else: labeloffset = 1 ElementLShellTransitions = ElementL1ShellTransitions + \ ElementL2ShellTransitions[labeloffset:] + \ ElementL3ShellTransitions[labeloffset:] for i in range(len(ElementLShellTransitions)): ElementLShellTransitions[i]+="*" nele = len(ElementL1ShellRates) elements = range(1,nele+1) weights = [] for ele in elements: weights.append(getweights(ele)) weights = numpy.array(weights).astype(numpy.float) ElementLShellRates = numpy.zeros((len(ElementL1ShellRates), len(ElementLShellTransitions)), numpy.float) ElementLShellRates[:,0] = numpy.arange(len(ElementL1ShellRates)) + 1 n1 = len(ElementL1ShellTransitions) lo = labeloffset ElementLShellRates[:,lo:n1] = numpy.array(ElementL1ShellRates).astype(numpy.float)[:,lo:] * \ numpy.resize(weights[:,0],(nele,1)) n2 = n1 + len(ElementL2ShellTransitions) - lo ElementLShellRates[:,n1:n2] = numpy.array(ElementL2ShellRates).astype(numpy.float)[:,lo:]* \ numpy.resize(weights[:,1],(nele,1)) n1 = n2 n2 = n1 + len(ElementL3ShellTransitions) - lo ElementLShellRates[:,n1:n2] = numpy.array(ElementL3ShellRates).astype(numpy.float)[:,lo:]* \ numpy.resize(weights[:,2],(nele,1)) if __name__ == "__main__": import sys if len(sys.argv) > 1: ele = sys.argv[1] if ele in Elements: z = getz(ele) print("Atomic Number = ",z) print("L1-shell yield = ",getomegal1(ele)) print("L2-shell yield = ",getomegal2(ele)) print("L3-shell yield = ",getomegal3(ele)) print("L1-shell jump = ",getjl1(z)) print("L2-shell jump = ",getjl2(z)) print("L3-shell jump = ",getjl3(z)) print("Coster-Kronig = ",getCosterKronig(ele)) PyMca5-5.2.2/PyMca5/PyMcaPhysics/xrf/SingleLayerStrategy.py0000644000276300001750000001621613136054446023523 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2016 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import copy from . import Elements from . import ConcentrationsTool DEBUG = 0 class SingleLayerStrategy(object): def __init__(self): self._tool = ConcentrationsTool.ConcentrationsTool() def applyStrategy(self, fitResult, fluorescenceRates, currentIteration=None): """ Provided a fit result, it returns an new fit configuration and a positive integer to indicate the strategy procedure has not finished. Returning an empty fit configuration, or a number of iterations equal 0 will indicate the process is over. """ if DEBUG: print("SingleLayerStrategy called with iteration ", currentIteration) newConfiguration = copy.deepcopy(fitResult['config']) strategyConfiguration = newConfiguration['SingleLayerStrategy'] if currentIteration is None: currentIteration = strategyConfiguration['iterations'] if currentIteration < 1: # enough for the journey return {}, 0 # calculate concentrations with current configuration ddict = {} ddict.update(newConfiguration['concentrations']) ddict, addInfo = self._tool.processFitResult( \ config=ddict, fitresult={"result":fitResult}, elementsfrommatrix=False, fluorates = fluorescenceRates, addinfo=True) # find the layer to be updated the matrix matrixKey = None for attenuator in list(newConfiguration['attenuators'].keys()): if not newConfiguration['attenuators'][attenuator][0]: continue if attenuator.upper() == "MATRIX": if newConfiguration['attenuators'][attenuator][1].upper() != \ "MULTILAYER": matrixKey = attenuator else: matrixKey = "MULTILAYER" if matrixKey: break if matrixKey != "MULTILAYER": parentKey = 'attenuators' daughterKey = matrixKey else: parentKey = "multilayer" daughterKey = None if newConfiguration["SingleLayerStrategy"]["layer"].upper() == \ ["AUTO"]: # we have to find the layer where we should work firstLayer = None for layer in newConfiguration[parentKey]: if newConfiguration[parentKey][layer][0]: material = newConfiguration[parentKey][layer][1] composition = Elements.getMaterialMassFractions( \ [material], [1.0]) for group in strategyConfiguration["peaks"]: if "-" in group: continue ele = group.split()[0] if ele in composition: daughterLayer = layer break if firstLayer is None: firstLayer = layer if daughterKey is None: daughterKey = firstLayer else: daughterKey = newConfiguration["SingleLayerStrategy"]["layer"] if daughterKey is None: raise ValueError("Cannot find appropriate sample layer") # newConfiguration[parentKey][daughterKey] composition is to be updated # get the new composition total = 0.0 CompoundList = [] CompoundFraction = [] materialCounter = -1 for group in strategyConfiguration["peaks"]: materialCounter += 1 if "-" in group: continue ele = group.split()[0] material = strategyConfiguration["materials"][materialCounter] if material in ["-", ele, ele + "1"]: CompoundList.append(ele) CompoundFraction.append(\ ddict["mass fraction"][group]) else: massFractions = Elements.getMaterialMassFractions( \ [material], [1.0]) CompoundFraction.append(massFractions[ele] / \ ddict["mass fraction"][group]) CompoundList.append(material) total += CompoundFraction[-1] if strategyConfiguration["completer"] not in ["-"]: if total < 1.0: CompoundList.append(strategyConfiguration["completer"]) CompoundFraction.append(1.0 - total) else: for i in range(len(CompoundFraction)): CompoundFraction[i] /= total; else: for i in range(len(CompoundFraction)): CompoundFraction[i] /= total; materialName = "SingleLayerStrategyMaterial" newConfiguration["materials"][materialName] = \ {"Density": newConfiguration['attenuators'][attenuator][2], "Thickness":newConfiguration['attenuators'][attenuator][3], "CompoundList":CompoundList, "CompoundFraction":CompoundFraction, "Comment":"Last Single Layer Strategy iteration"} # and update it newConfiguration[parentKey][daughterKey][1] = materialName if DEBUG: print("Updated sample material: ", \ newConfiguration["materials"][materialName]) return newConfiguration, currentIteration - 1 PyMca5-5.2.2/PyMca5/PyMcaPhysics/xrf/BindingEnergies.py0000644000276300001750000000614613136054446022617 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2016 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import os import numpy from PyMca5 import getDataFile from PyMca5.PyMcaIO import specfile filename = getDataFile("BindingEnergies.dat") sf = specfile.Specfile(filename) ElementShells = sf[0].alllabels() ElementBinding = numpy.transpose(sf[0].data()).tolist() sf = None Elements = ['H', 'He', 'Li', 'Be', 'B', 'C', 'N', 'O', 'F', 'Ne', 'Na', 'Mg', 'Al', 'Si', 'P', 'S', 'Cl', 'Ar', 'K', 'Ca', 'Sc', 'Ti', 'V', 'Cr', 'Mn', 'Fe', 'Co', 'Ni', 'Cu', 'Zn', 'Ga', 'Ge', 'As', 'Se', 'Br', 'Kr', 'Rb', 'Sr', 'Y', 'Zr', 'Nb', 'Mo', 'Tc', 'Ru', 'Rh', 'Pd', 'Ag', 'Cd', 'In', 'Sn', 'Sb', 'Te', 'I', 'Xe', 'Cs', 'Ba', 'La', 'Ce', 'Pr', 'Nd', 'Pm', 'Sm', 'Eu', 'Gd', 'Tb', 'Dy', 'Ho', 'Er', 'Tm', 'Yb', 'Lu', 'Hf', 'Ta', 'W', 'Re', 'Os', 'Ir', 'Pt', 'Au', 'Hg', 'Tl', 'Pb', 'Bi', 'Po', 'At', 'Rn', 'Fr', 'Ra', 'Ac', 'Th', 'Pa', 'U', 'Np', 'Pu', 'Am', 'Cm', 'Bk', 'Cf', 'Es', 'Fm', 'Md', 'No', 'Lr', 'Rf', 'Db', 'Sg', 'Bh', 'Hs', 'Mt'] def main(): import sys if len(sys.argv) > 1: ele = sys.argv[1] if ele in Elements: z = Elements.index(ele) + 1 for shell in ElementShells: i = ElementShells.index(shell) if ElementBinding[z - 1][i] > 0.0: print(shell, ElementBinding[z - 1][i]) sys.exit() print("Usage:") print("python BindingEnergies.py [element]") if __name__ == "__main__": main() PyMca5-5.2.2/PyMca5/PyMcaPhysics/xrf/KShell.py0000644000276300001750000001214113136054446020735 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2016 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import os import numpy from PyMca5 import getDataFile from PyMca5.PyMcaIO import specfile sf=specfile.Specfile(getDataFile("KShellRates.dat")) ElementKShellTransitions = sf[0].alllabels() ElementKShellRates = numpy.transpose(sf[0].data()).tolist() ElementKAlphaTransitions = [] ElementKBetaTransitions = [] for transition in ElementKShellTransitions: if transition[0] == 'K': if transition[1] == 'L': ElementKAlphaTransitions.append(transition) else: ElementKBetaTransitions.append(transition) elif transition[0] == 'Z': ElementKAlphaTransitions.append(transition) ElementKBetaTransitions.append(transition) else: #TOTAL column meaningless pass filedata = sf[0].data() ndata = sf[0].lines() ElementKAlphaRates = filedata[0] * 1 ElementKAlphaRates.shape = [ndata, 1] ElementKBetaRates = filedata[0] * 1 ElementKBetaRates.shape = [ndata, 1] for transition in ElementKAlphaTransitions: if transition[0] != 'Z': data = filedata[ElementKShellTransitions.index(transition)] * 1 data.shape = [ndata, 1] ElementKAlphaRates = numpy.concatenate((ElementKAlphaRates, data), axis = 1) for transition in ElementKBetaTransitions: if transition[0] != 'Z': data = filedata[ElementKShellTransitions.index(transition)] * 1 data.shape = [ndata, 1] ElementKBetaRates = numpy.concatenate((ElementKBetaRates, data), axis = 1) for i in range(len(ElementKAlphaTransitions)): if ElementKAlphaTransitions[i] != 'Z': ElementKAlphaTransitions[i] = ElementKAlphaTransitions[i] + "a" for i in range(len(ElementKBetaTransitions)): if ElementKBetaTransitions[i] != 'Z': ElementKBetaTransitions[i] = ElementKBetaTransitions[i] + "b" ElementKAlphaRates = ElementKAlphaRates.tolist() ElementKBetaRates = ElementKBetaRates.tolist() sf=specfile.Specfile(getDataFile("KShellConstants.dat")) ElementKShellConstants = sf[0].alllabels() ElementKShellValues = numpy.transpose(sf[0].data()).tolist() sf=None Elements = ['H', 'He', 'Li', 'Be', 'B', 'C', 'N', 'O', 'F', 'Ne', 'Na', 'Mg', 'Al', 'Si', 'P', 'S', 'Cl', 'Ar', 'K', 'Ca', 'Sc', 'Ti', 'V', 'Cr', 'Mn', 'Fe', 'Co', 'Ni', 'Cu', 'Zn', 'Ga', 'Ge', 'As', 'Se', 'Br', 'Kr', 'Rb', 'Sr', 'Y', 'Zr', 'Nb', 'Mo', 'Tc', 'Ru', 'Rh', 'Pd', 'Ag', 'Cd', 'In', 'Sn', 'Sb', 'Te', 'I', 'Xe', 'Cs', 'Ba', 'La', 'Ce', 'Pr', 'Nd', 'Pm', 'Sm', 'Eu', 'Gd', 'Tb', 'Dy', 'Ho', 'Er', 'Tm', 'Yb', 'Lu', 'Hf', 'Ta', 'W', 'Re', 'Os', 'Ir', 'Pt', 'Au', 'Hg', 'Tl', 'Pb', 'Bi', 'Po', 'At', 'Rn', 'Fr', 'Ra', 'Ac', 'Th', 'Pa', 'U', 'Np', 'Pu', 'Am', 'Cm', 'Bk', 'Cf', 'Es', 'Fm', 'Md', 'No', 'Lr', 'Rf', 'Db', 'Sg', 'Bh', 'Hs', 'Mt'] def getsymbol(z): return Elements[z-1] def getz(ele): return Elements.index(ele)+1 #fluorescence yields def getomegak(ele): index = ElementKShellConstants.index('omegaK') return ElementKShellValues[getz(ele)-1][index] #Jump ratios following Veigele: Atomic Data Tables 5 (1973) 51-111. p 54 and 55 def getjk(z): return (125.0/z) + 3.5 if __name__ == "__main__": import sys if len(sys.argv) > 1: ele = sys.argv[1] if ele in Elements: z = getz(ele) print("Atomic Number = ",z) print("K-shell yield = ",getomegak(ele)) print("K-shell jump = ",getjk(z)) PyMca5-5.2.2/PyMca5/PyMcaPhysics/xrf/__init__.py0000644000276300001750000000000013136054446021301 0ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/PyMcaPhysics/xrf/PyMcaEPDL97.py0000644000276300001750000003424313136054446021420 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2016 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" __doc__= "Interface to the PyMca EPDL97 description" import os import sys from PyMca5.PyMcaIO import specfile from PyMca5 import getDataFile import numpy log = numpy.log exp = numpy.exp ElementList = ['H', 'He', 'Li', 'Be', 'B', 'C', 'N', 'O', 'F', 'Ne', 'Na', 'Mg', 'Al', 'Si', 'P', 'S', 'Cl', 'Ar', 'K', 'Ca', 'Sc', 'Ti', 'V', 'Cr', 'Mn', 'Fe', 'Co', 'Ni', 'Cu', 'Zn', 'Ga', 'Ge', 'As', 'Se', 'Br', 'Kr', 'Rb', 'Sr', 'Y', 'Zr', 'Nb', 'Mo', 'Tc', 'Ru', 'Rh', 'Pd', 'Ag', 'Cd', 'In', 'Sn', 'Sb', 'Te', 'I', 'Xe', 'Cs', 'Ba', 'La', 'Ce', 'Pr', 'Nd', 'Pm', 'Sm', 'Eu', 'Gd', 'Tb', 'Dy', 'Ho', 'Er', 'Tm', 'Yb', 'Lu', 'Hf', 'Ta', 'W', 'Re', 'Os', 'Ir', 'Pt', 'Au', 'Hg', 'Tl', 'Pb', 'Bi', 'Po', 'At', 'Rn', 'Fr', 'Ra', 'Ac', 'Th', 'Pa', 'U', 'Np', 'Pu', 'Am', 'Cm', 'Bk', 'Cf', 'Es', 'Fm', 'Md', 'No', 'Lr', 'Rf', 'Db', 'Sg', 'Bh', 'Hs', 'Mt'] EPDL97_FILE = getDataFile("EPDL97_CrossSections.dat") EADL97_FILE = getDataFile("EADL97_BindingEnergies.dat") EPDL97_DICT = {} for element in ElementList: EPDL97_DICT[element] = {} #initialize the dictionnary, for the time being compatible with PyMca 4.3.0 EPDL97_DICT = {} for element in ElementList: EPDL97_DICT[element] = {} EPDL97_DICT[element]['binding'] = {} EPDL97_DICT[element]['EPDL97'] = {} EPDL97_DICT[element]['original'] = True #fill the dictionnary with the binding energies def _initializeBindingEnergies(): #read the specfile data sf = specfile.Specfile(EADL97_FILE) scan = sf[0] labels = scan.alllabels() data = scan.data() scan = None sf = None i = -1 for element in ElementList: if element == 'Md': break i += 1 EPDL97_DICT[element]['binding'] = {} for j in range(len(labels)): if j == 0: #this is the atomic number continue label = labels[j].replace(" ","").split("(")[0] EPDL97_DICT[element]['binding'][label] = data[j, i] _initializeBindingEnergies() def setElementBindingEnergies(element, ddict): """ Allows replacement of the element internal binding energies by a different set of energies. This is made to force this implementaticon of EPDL97 to respect other programs absorption edges. Data will be extrapolated when needed. WARNING: Coherent resonances are not replaced. """ if len(EPDL97_DICT[element]['EPDL97'].keys()) < 2: _initializeElement(element) EPDL97_DICT[element]['original'] = False EPDL97_DICT[element]['binding']={} if 'binding' in ddict: EPDL97_DICT[element]['binding'].update(ddict['binding']) else: EPDL97_DICT[element]['binding'].update(ddict) def _initializeElement(element): """ _initializeElement(element) Supposed to be of internal use. Reads the file and loads all the relevant element information contained int the EPDL97 file into the internal dictionnary. """ #read the specfile data sf = specfile.Specfile(EPDL97_FILE) scan_index = ElementList.index(element) if scan_index > 99: #just to avoid a crash #I do not expect any fluorescent analysis of these elements ... scan_index = 99 scan = sf[scan_index] labels = scan.alllabels() data = scan.data() scan = None #fill the information into the dictionnary i = -1 for label0 in labels: i += 1 label = label0.lower() #translate the label to the PyMca keys if ('coherent' in label) and ('incoherent' not in label): EPDL97_DICT[element]['EPDL97']['coherent'] = data[i, :] EPDL97_DICT[element]['EPDL97']['coherent'].shape = -1 continue if ('incoherent' in label) and ('plus' not in label): EPDL97_DICT[element]['EPDL97']['compton'] = data[i, :] EPDL97_DICT[element]['EPDL97']['compton'].shape = -1 continue if 'allother' in label: EPDL97_DICT[element]['EPDL97']['all other'] = data[i, :] EPDL97_DICT[element]['EPDL97']['all other'].shape = -1 continue label = label.replace(" ","").split("(")[0] if 'energy' in label: EPDL97_DICT[element]['EPDL97']['energy'] = data[i, :] EPDL97_DICT[element]['EPDL97']['energy'].shape = -1 continue if 'photoelectric' in label: EPDL97_DICT[element]['EPDL97']['photo'] = data[i, :] EPDL97_DICT[element]['EPDL97']['photo'].shape = -1 #a reference should not be expensive ... EPDL97_DICT[element]['EPDL97']['photoelectric'] =\ EPDL97_DICT[element]['EPDL97']['photo'] continue if 'total' in label: EPDL97_DICT[element]['EPDL97']['total'] = data[i, :] EPDL97_DICT[element]['EPDL97']['total'].shape = -1 continue if label[0].upper() in ['K', 'L', 'M']: #for the time being I do not use the other shells in PyMca EPDL97_DICT[element]['EPDL97'][label.upper()] = data[i, :] EPDL97_DICT[element]['EPDL97'][label.upper()].shape = -1 continue EPDL97_DICT[element]['EPDL97']['pair'] = 0.0 *\ EPDL97_DICT[element]['EPDL97']['energy'] EPDL97_DICT[element]['EPDL97']['photo'] = \ EPDL97_DICT[element]['EPDL97']['total'] -\ EPDL97_DICT[element]['EPDL97']['compton']-\ EPDL97_DICT[element]['EPDL97']['coherent']-\ EPDL97_DICT[element]['EPDL97']['pair'] atomic_shells = ['M5', 'M4', 'M3', 'M2', 'M1', 'L3', 'L2', 'L1', 'K'] # with the new (short) version of the cross-sections file, "all other" contains all # shells above the M5. Nevertheless, we calculate it if scan_index > 17: idx = EPDL97_DICT[element]['EPDL97']['all other'] > 0.0 delta = 0.0 for key in atomic_shells: delta += EPDL97_DICT[element]['EPDL97'][key] EPDL97_DICT[element]['EPDL97']['all other'] =\ (EPDL97_DICT[element]['EPDL97']['photo'] - delta) * idx else: EPDL97_DICT[element]['EPDL97']['all other'] = 0.0 * \ EPDL97_DICT[element]['EPDL97']['photo'] #take care of rounding problems idx = EPDL97_DICT[element]['EPDL97']['all other'] < 0.0 EPDL97_DICT[element]['EPDL97']['all other'][idx] = 0.0 def getElementCrossSections(element, energy=None, forced_shells=None): """ getElementCrossSections(element, energy, forced_shells=None) Returns total and partial cross sections of element at the specified energies. If forced_shells are not specified, it uses the internal binding energies of EPDL97 for all shells. If forced_shells is specified, it enforces excitation of the relevant shells via log-log extrapolation if needed. """ if forced_shells is None: forced_shells = [] if element not in ElementList: raise ValueError("Invalid chemical symbol %s" % element) if len(EPDL97_DICT[element]['EPDL97'].keys()) < 2: _initializeElement(element) if energy is None and EPDL97_DICT[element]['original']: return EPDL97_DICT[element]['EPDL97'] elif energy is None: energy = EPDL97_DICT[element]['EPDL97']['energy'] try: n = len(energy) except TypeError: energy = numpy.array([energy]) if type(energy) in [type(1), type(1.0)]: energy = numpy.array([energy]) elif type(energy) in [type([]), type((1,))]: energy = numpy.array(energy) binding = EPDL97_DICT[element]['binding'] wdata = EPDL97_DICT[element]['EPDL97'] ddict = {} ddict['energy'] = energy ddict['coherent'] = 0.0 * energy ddict['compton'] = 0.0 * energy ddict['photo'] = 0.0 * energy ddict['pair'] = 0.0 * energy ddict['all other'] = 0.0 * energy ddict['total'] = 0.0 * energy atomic_shells = ['M5', 'M4', 'M3', 'M2', 'M1', 'L3', 'L2', 'L1', 'K'] for key in atomic_shells: ddict[key] = 0.0 * energy #find interpolation point len_energy = len(energy) for i in range(len_energy): x = energy[i] if x > wdata['energy'][-2]: #take last value or extrapolate? print("Warning: Extrapolating data at the end") j1 = len(wdata['energy']) - 1 j0 = j1 - 1 elif x <= wdata['energy'][0]: #take first value or extrapolate? print("Warning: Extrapolating data at the beginning") j1 = 1 j0 = 0 else: j0 = numpy.max(numpy.nonzero(wdata['energy'] < x), axis=1) j1 = j0 + 1 x0 = wdata['energy'][j0] x1 = wdata['energy'][j1] if x == x1: if (j1 + 1 ) < len(wdata['energy']): if x1 == wdata['energy'][j1 + 1]: j0 = j1 j1 += 1 x0 = wdata['energy'][j0] x1 = wdata['energy'][j1] #coherent and incoherent for key in ['coherent', 'compton', 'pair', 'all other']: if (j0 == j1) or ((x1 - x0) < 5.E-10) or ((x1 - x) < 5.E-10) : ddict[key][i] = wdata[key][j1] else: y0 = wdata[key][j0] y1 = wdata[key][j1] if (y0 > 0) and (y1 > 0): ddict[key][i] = exp((log(y0) * log(x1/x) +\ log(y1) * log(x/x0))/log(x1/x0)) elif (y1 > 0) and ((x-x0) > 1.E-5): ddict[key][i] = exp((log(y1) * log(x/x0))/log(x1/x0)) #partial cross sections for key in atomic_shells: y0 = wdata[key][j0] if (y0 > 0.0) and (x >= binding[key]): #standard way y1 = wdata[key][j1] if (((x1 - x0) < 5.E-10) or ((x1 - x) < 5.E-10)): # no interpolation needed ddict[key][i] = y1 else: ddict[key][i] = exp((log(y0) * log(x1/x) +\ log(y1) * log(x/x0))/log(x1/x0)) elif (forced_shells == []) and (x < binding[key]): continue elif (key in forced_shells) or (x >= binding[key]): l = numpy.nonzero(wdata[key] > 0.0) if not len(l[0]): continue j00 = numpy.min(l) j01 = j00 + 1 x00 = wdata['energy'][j00] x01 = wdata['energy'][j01] y0 = wdata[key][j00] y1 = wdata[key][j01] ddict[key][i] = exp((log(y0) * log(x01/x) +\ log(y1) * log(x/x00))/log(x01/x00)) for key in ['all other'] + atomic_shells: ddict['photo'][i] += ddict[key][i] for key in ['coherent', 'compton', 'photo']: ddict['total'][i] += ddict[key][i] for key in ddict.keys(): ddict[key] = ddict[key].tolist() return ddict def getPhotoelectricWeights(element, shelllist, energy, normalize = None, totals = None): """ getPhotoelectricWeights(element,shelllist,energy,normalize=None,totals=None) Given a certain list of shells and one excitation energy, gives back the ratio mu(shell, energy)/mu(energy) where mu refers to the photoelectric mass attenuation coefficient. The special shell "all others" refers to all the shells not in the K, L or M groups. Therefore, valid values for the items in the shellist are: 'K', 'L1', 'L2', 'L3', 'M1', 'M2', 'M3', 'M4', 'M5', 'all other' For instance, for the K shell, it is the equivalent of (Jk-1)/Jk where Jk is the k jump. If normalize is None or True, normalizes the output to the shells given in shelllist. If totals is True, gives back the a dictionnary with all the mass attenuation coefficients used in the calculations. """ if normalize is None: normalize = True if totals is None: totals = False #it is not necessary to force shells because the proper way to work is to force this #module to respect a given set of binding energies. ddict = getElementCrossSections(element, energy=energy, forced_shells=None) w = [] d = ddict['photo'][0] for key in shelllist: if d > 0.0: wi = ddict[key][0]/d else: wi = 0.0 w += [wi] if normalize: total = sum(w) for i in range(len(w)): if total > 0.0: w[i] = w[i]/total else: w[i] = 0.0 if totals: return w, ddict else: return w PyMca5-5.2.2/PyMca5/PyMcaPhysics/xrf/ClassMcaTheory.py0000644000276300001750000044174413151776255022461 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2017 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import os import sys import numpy import copy from .Strategies import STRATEGIES from . import ConcentrationsTool FISX = ConcentrationsTool.FISX if FISX: FisxHelper = ConcentrationsTool.FisxHelper from . import Elements from PyMca5.PyMcaMath.fitting import SpecfitFuns from PyMca5.PyMcaIO import ConfigDict from PyMca5.PyMcaMath.fitting import Gefit from PyMca5 import PyMcaDataDir DEBUG = 0 #"python ClassMcaTheory.py -s1.1 --file=03novs060sum.mca --pkm=McaTheory.dat --continuum=0 --strip=1 --sumflag=1 --maxiter=4" CONTINUUM_LIST = [None,'Constant','Linear','Parabolic','Linear Polynomial','Exp. Polynomial'] OLDESCAPE = 0 MAX_ATTENUATION = 1.0E-300 class McaTheory(object): def __init__(self, initdict=None, filelist=None, **kw): self.ydata0 = None self.xdata0 = None self.sigmay0 = None self.__lastTime = None self.strategyInstances = {} self.__toBeConfigured = False self.useFisxEscape(False) if initdict is None: dirname = PyMcaDataDir.PYMCA_DATA_DIR initdict = os.path.join(dirname, "McaTheory.cfg") if not os.path.exists(initdict): #Frozen version deals differently with the path dirname = os.path.dirname(dirname) initdict = os.path.join(dirname, "McaTheory.cfg") if not os.path.exists(initdict): if dirname.lower().endswith(".zip"): dirname = os.path.dirname(dirname) initdict = os.path.join(dirname, "McaTheory.cfg") if os.path.exists(initdict): self.config = ConfigDict.ConfigDict(filelist = initdict) else: print("Cannot find file McaTheory.cfg") raise IOError("File %s does not exist" % initdict) else: if os.path.exists(initdict): self.config = ConfigDict.ConfigDict(filelist = initdict) else: raise IOError("File %s does not exist" % initdict) self.config = {} self.config['fit'] = {} self.config['attenuators'] = {} if 'config' in kw: self.config.update(kw['config']) SpecfitFuns.fastagauss([1.0,10.0,1.0],numpy.arange(10.)) self.config['fit']['sumflag'] = kw.get('sumflag',self.config['fit']['sumflag']) self.config['fit']['escapeflag'] = kw.get('escapeflag', self.config['fit']['escapeflag']) self.config['fit']['continuum'] = kw.get('continuum', self.config['fit']['continuum']) self.config['fit']['stripflag'] = kw.get('stripflag', self.config['fit']['stripflag']) self.config['fit']['maxiter'] = kw.get('maxiter',self.config['fit']['maxiter']) self.config['fit']['hypermetflag']= kw.get('hypermetflag',self.config['fit']['hypermetflag']) self.attflag = kw.get('attenuatorsflag',1) self.lastxmin = None self.lastxmax = None self.laststrip = None self.laststripconstant = None self.laststripiterations = None self.laststripalgorithm = None self.lastsnipwidth = None self.laststripwidth = None self.laststripfilterwidth = None self.laststripanchorsflag = None self.laststripanchorslist = None self.disableOptimizedLinearFit() self.__configure() self.startFit = self.startfit #incompatible with multiple energies #Elements.registerUpdate(self._updateCallback) def useFisxEscape(self, flag=None): if flag: if FisxHelper.xcom is None: FisxHelper.xcom =FisxHelper.getElementsInstance() xcom = FisxHelper.xcom if hasattr(xcom, "setEscapeCacheEnabled"): xcom.setEscapeCacheEnabled(1) self.__USE_FISX_ESCAPE = True else: self.__USE_FISX_ESCAPE = False else: self.__USE_FISX_ESCAPE = False def enableOptimizedLinearFit(self): self._batchFlag = True def disableOptimizedLinearFit(self): self._batchFlag = False self.linearMatrix = None def setConfiguration(self, ddict): """ The current fit configuration dictionary is updated, but not replaced, by the input dictionary. It returns a copy of the final fit configuration. """ return self.configure(ddict) def getConfiguration(self): """ returns a copy of the current fit configuration parameters """ return self.configure() def getStartingConfiguration(self): # same output as calling configure but with the calling program # knowing what is going on (no warning) if self.__toBeConfigured: return copy.deepcopy(self.__originalConfiguration) else: return self.configure() def configure(self, newdict=None): if newdict in [None, {}]: if self.__toBeConfigured: if DEBUG: txt = "WARNING: This configuration is the one of last fit.\n" txt += "It does not correspond to the one of next fit." print(txt) return copy.deepcopy(self.config) self.config.update(newdict) self.__toBeConfigured = False self.__configure() return copy.deepcopy(self.config) def _updateCallback(self): print("no update callback") #self.config['fit']['energy'] = Elements.Element['Fe']['buildparameters']['energy'] #self.__configure() def __configure(self): self.linearMatrix = None #multilayer key self.config['multilayer'] = self.config.get('multilayer',{}) #update Elements material information self.config['materials'] = self.config.get('materials',{}) for material in self.config['materials'].keys(): Elements.Material[material] = copy.deepcopy(self.config['materials'][material]) #that was it #default peak shape parameters for pseudo-voigt function self.config['peakshape']['eta_factor'] = self.config['peakshape'].get('eta_factor', 0.02) self.config['peakshape']['fixedeta_factor'] = self.config['peakshape'].get('fixedeta_factor', 0) self.config['peakshape']['deltaeta_factor'] = self.config['peakshape'].get('deltaeta_factor', self.config['peakshape']['eta_factor']) #fit function self.config['fit']['fitfunction'] = self.config['fit'].get('fitfunction', None) if self.config['fit']['fitfunction'] is None: if self.config['fit']['hypermetflag']: self.config['fit']['fitfunction'] = 0 else: self.config['fit']['fitfunction'] = 1 #default strip function parameters self.config['fit']['stripalgorithm'] = self.config['fit'].get('stripalgorithm',0) self.config['fit']['snipwidth'] = self.config['fit'].get('snipwidth', 30) #linear fitting option self.config['fit']['linearfitflag'] = self.config['fit'].get('linearfitflag', 0) self.config['fit']['fitweight'] = self.config['fit'].get('fitweight', 1) self.config['fit']['energy'] = self.config['fit'].get('energy',None) if type(self.config['fit']['energy']) == type(""): self.config['fit']['energy'] = None self.config['fit']['energyweight'] = [1.0] self.config['fit']['energyflag'] = [1] self.config['fit']['energyscatter'] = [1] elif type(self.config['fit']['energy']) == type([]): pass else: self.config['fit']['energy']=[self.config['fit']['energy']] self.config['fit']['energyweight'] = [1.0] self.config['fit']['energyflag'] = [1] self.config['fit']['energyscatter'] = [1] maxenergy = None energylist= None if self.config['fit']['energy'] is not None: if max(self.config['fit']['energyflag']) == 0: energylist = None else: energylist = [] energyweight = [] energyflag = [] energyscatter = [] for i in range(len(self.config['fit']['energy'])): if self.config['fit']['energyflag'][i]: if self.config['fit']['energy'][i] is not None: energyflag.append(self.config['fit']['energyflag'][i]) energylist.append(self.config['fit']['energy'][i]) energyweight.append(self.config['fit']['energyweight'][i]) if 'energyscatter' in self.config['fit']: energyscatter.append(self.config['fit']['energyscatter'][i]) elif i==1: energyscatter.append(1) else: energyscatter.append(0) if maxenergy is None:maxenergy=self.config['fit']['energy'][i] if maxenergy < self.config['fit']['energy'][i]: maxenergy = self.config['fit']['energy'][i] self.config['fit']['scatterflag'] = self.config['fit'].get('scatterflag',0) self.config['fit']['deltaonepeak'] = self.config['fit'].get('deltaonepeak',0.010) self.config['fit']['linpolorder'] = self.config['fit'].get('linpolorder',6) self.config['fit']['exppolorder'] = self.config['fit'].get('exppolorder',6) self.config['fit']['stripconstant']= self.config['fit'].get('stripconstant',1.0) self.config['fit']['stripwidth']= int(self.config['fit'].get('stripwidth',1)) self.config['fit']['stripfilterwidth']= int(self.config['fit'].get('stripfilterwidth',5)) self.config['fit']['stripiterations'] = int(self.config['fit'].get('stripiterations',20000)) self.config['fit']['stripanchorsflag']= int(self.config['fit'].get('stripanchorsflag',0)) self.config['fit']['stripanchorslist']= self.config['fit'].get('stripanchorslist',[0,0,0,0]) deltaonepeak = self.config['fit']['deltaonepeak'] detele = self.config['detector']['detele'] detene = self.config['detector'].get('detene', 1.7420) self.config['detector']['detene'] = detene ethreshold = self.config['detector'].get('ethreshold', 0.020) nthreshold = self.config['detector'].get('nthreshold', 4) ithreshold = self.config['detector'].get('ithreshold', 1.0E-07) self.config['detector']['ethreshold'] = ethreshold self.config['detector']['ithreshold'] = ithreshold self.config['detector']['nthreshold'] = nthreshold usematrix = 0 attenuatorlist =[] filterlist = [] funnyfilters = [] detector = None multilayerlist = None self._fluoRates = None if self.attflag: for attenuator in self.config['attenuators'].keys(): if not self.config['attenuators'][attenuator][0]: continue # this should not be needed any longer #if len(self.config['attenuators'][attenuator]) == 4: # self.config['attenuators'][attenuator].append(1.0) if attenuator.upper() == "MATRIX": if self.config['attenuators'][attenuator][0]: usematrix = 1 matrix = self.config['attenuators'][attenuator][1:4] alphain= self.config['attenuators'][attenuator][4] alphaout= self.config['attenuators'][attenuator][5] else: usematrix = 0 break elif attenuator.upper() == "DETECTOR": detector = self.config['attenuators'][attenuator][1:] elif attenuator.upper()[0:-1] == "BEAMFILTER": filterlist.append(self.config['attenuators'][attenuator][1:]) else: if len(self.config['attenuators'][attenuator]) > 4: if abs(self.config['attenuators'][attenuator][4]-1.0) > 1.0e-10: #funny attenuator funnyfilters.append( \ self.config['attenuators'][attenuator][1:]) else: attenuatorlist.append( \ self.config['attenuators'][attenuator][1:]) else: attenuatorlist.append( \ self.config['attenuators'][attenuator][1:]) if usematrix: layerkeys = list(self.config['multilayer'].keys()) if len(layerkeys): layerkeys.sort() for layer in layerkeys: if self.config['multilayer'][layer][0]: if multilayerlist is None:multilayerlist = [] multilayerlist.append(self.config['multilayer'][layer][1:]) if (maxenergy is not None) and usematrix: #sort the peaks by atomic number data = [] for element in self.config['peaks'].keys(): if len(element) > 1: ele = element[0:1].upper()+element[1:2].lower() else: ele = element.upper() if maxenergy != Elements.Element[ele]['buildparameters']['energy']: Elements.updateDict (energy= maxenergy) if type(self.config['peaks'][element]) == type([]): for peak in self.config['peaks'][element]: data.append([Elements.getz(ele),ele,peak]) else: for peak in [self.config['peaks'][element]]: data.append([Elements.getz(ele),ele,peak]) data.sort() #build the peaks description PEAKS0 = [] PEAKS0NAMES = [] PEAKS0ESCAPE = [] PEAKSW=[] if self.config['fit']['fitfunction'] == 0: HYPERMET = self.config['fit']['hypermetflag'] else: HYPERMET = 0 noise = self.config['detector']['noise'] fano = self.config['detector']['fano'] elementsList =[] for item in data: if len(item[1]) > 1: elementsList.append(item[1][0].upper()+\ item[1][1].lower()) else: elementsList.append(item[1][0].upper()) #import time #t0=time.time() if matrix[0].upper() != "MULTILAYER": multilayer = [matrix * 1] else: if multilayerlist is not None: multilayer = multilayerlist * 1 else: text = "Your matrix is not properly defined.\n" text += "If you used the graphical interface,\n" text += "Please check the MATRIX tab" raise ValueError(text) self._fluoRates=Elements.getMultilayerFluorescence(multilayer, energylist, layerList = None, weightList = energyweight, flagList = energyflag, fulloutput=1, attenuators=attenuatorlist, alphain = alphain, alphaout = alphaout, #elementsList = elementsList, elementsList = data, cascade = True, detector=detector, funnyfilters=funnyfilters, beamfilters=filterlist, forcepresent = 1) dict = self._fluoRates[0] # this will not be needed once fisx replaces the Elements module if 'fisx' in self.config: if 'corrections' in self.config['fisx']: del self.config['fisx']['corrections'] if 'secondary' in self.config['fisx']: del self.config['fisx']['secondary'] self.config['fisx'] = {} secondary = False if 'concentrations' in self.config: secondary = self.config['concentrations'].get('usemultilayersecondary', False) if secondary and FISX: self.config['fisx'] = {} self.config['fisx']['corrections'] = FisxHelper.getFisxCorrectionFactorsFromFitConfiguration(self.config, elementsFromMatrix=False) self.config['fisx']['secondary'] = secondary # done with the calculation of the corrections to the total rate. For accurate line ratios, # the correction is to be applied layer by layer. # TODO:That implies the future use of fisx library for *everything* #print "getMatrixFluorescence elapsed = ",time.time()-t0 for item in data: newpeaks = [] newpeaksnames = [] element = item[1] if len(element) > 1: ele = element[0:1].upper()+element[1:2].lower() else: ele = element.upper() rays= item[2] +' xrays' if not rays in dict[ele]['rays']:continue for transition in dict[ele][rays]: if dict[ele][transition]['rate'] > 0.0: fwhm = numpy.sqrt(noise*noise + \ 0.00385 *dict[ele][transition]['energy']* fano*2.3548*2.3548) newpeaks.append([dict[ele][transition]['rate'], dict[ele][transition]['energy'], fwhm,0.0]) # 1.00,eta]) newpeaksnames.append(transition) #if ele == 'Au': #if 0: # print transition, 'energy = ',dict[ele][transition]['energy'],\ # 'rate = ',dict[ele][transition]['rate'],' fwhm =',fwhm ####################################### #--- renormalize to account for filter effects --- div = sum([x[0] for x in newpeaks]) try: for i in range(len(newpeaks)): newpeaks[i][0] /= div except ZeroDivisionError: text = "Intensity of %s %s is zero\n"% (ele, rays) text += "Too high attenuation?" raise ZeroDivisionError(text) #--- sort --- div=[[newpeaks[i][1],newpeaks[i][0],newpeaksnames[i]] for i in range(len(newpeaks))] div.sort() #print "before = ",len(newpeaksnames) div = Elements._filterPeaks(div, ethreshold = deltaonepeak, ithreshold = 0.0005, #ithreshold = ithreshold, nthreshold = None, keeptotalrate=True) newpeaks = [[x[1],x[0],0.00385*x[0]*fano*2.3548*2.3548,0.0] for x in div] newpeaksnames = [x[2] for x in div] #print "after = ",len(newpeaksnames) #print "newpeaks = ",newpeaks if not len(newpeaks): text = "No %s for element %s" % (rays, ele) text += "\nToo high attenuation?" raise ValueError(text) (r,c)=(numpy.array(newpeaks)).shape PEAKS0ESCAPE.append([]) _nescape_ = 0 if self.config['fit']['escapeflag']: if self.__USE_FISX_ESCAPE: if DEBUG: print("Using fisx escape") xcom = FisxHelper.xcom detector_composition = Elements.getMaterialMassFractions([detele], [1.0]) xcom.updateEscapeCache(detector_composition, [newpeaks[i][1] for i in range(len(newpeaks))], energyThreshold=ethreshold, intensityThreshold=ithreshold, nThreshold=nthreshold) for i in range(len(newpeaks)): _esc_ = xcom.getEscape(detector_composition, newpeaks[i][1], energyThreshold=ethreshold, intensityThreshold=ithreshold, nThreshold=nthreshold) _esc_ = [[_esc_[x]["energy"], _esc_[x]["rate"], x[:-3].replace("_"," ")] for x in _esc_] _esc_ = Elements._filterPeaks(_esc_, ethreshold=ethreshold, ithreshold=ithreshold, nthreshold=nthreshold, absoluteithreshold=True, keeptotalrate=False) PEAKS0ESCAPE[-1].append(_esc_) _nescape_ += len(_esc_) else: for i in range(len(newpeaks)): _esc_ = Elements.getEscape([detele,1.0,1.0], newpeaks[i][1], ethreshold=ethreshold, ithreshold=ithreshold, nthreshold=nthreshold) PEAKS0ESCAPE[-1].append(_esc_) _nescape_ += len(_esc_) PEAKS0.append(numpy.array(newpeaks)) PEAKS0NAMES.append(newpeaksnames) #print ele,"PEAKS0ESCAPE[-1] = ",PEAKS0ESCAPE[-1] if not HYPERMET: if self.config['fit']['escapeflag']: if OLDESCAPE: PEAKSW.append(numpy.ones((2*r,3+1),numpy.float)) else: PEAKSW.append(numpy.ones(((r+_nescape_),3+1), numpy.float)) else: PEAKSW.append(numpy.ones((r,3+1),numpy.float)) else: if self.config['fit']['escapeflag']: if OLDESCAPE: PEAKSW.append(numpy.ones((2*r,3+5),numpy.float)) else: PEAKSW.append(numpy.ones(((r+_nescape_),3+5), numpy.float)) else: PEAKSW.append(numpy.ones((r,3+5),numpy.float)) ####################################### else: if usematrix and (maxenergy is None): text = "Invalid energy for matrix configuration.\n" text += "Please check your BEAM parameters." raise ValueError(text) elif ((not usematrix) and (self.config['fit']['energy'] is None)) or \ ((not usematrix) and (self.config['fit']['energy'] == [None])) or\ ((not usematrix) and (self.config['fit']['energy'] == ["None"])) or\ ((not usematrix) and (energylist is None)) or\ ((not usematrix) and (len(energylist) == 1)): #print "OLD METHOD" data = [] for element in self.config['peaks'].keys(): if len(element) > 1: ele = element[0:1].upper()+element[1:2].lower() else: ele = element.upper() if maxenergy != Elements.Element[ele]['buildparameters']['energy']: Elements.updateDict (energy= maxenergy) if type(self.config['peaks'][element]) == type([]): for peak in self.config['peaks'][element]: data.append([Elements.getz(ele),ele,peak]) else: for peak in [self.config['peaks'][element]]: data.append([Elements.getz(ele),ele,peak]) data.sort() #build the peaks description PEAKS0 = [] PEAKS0NAMES = [] PEAKS0ESCAPE = [] PEAKSW=[] if self.config['fit']['fitfunction'] == 0: HYPERMET = self.config['fit']['hypermetflag'] else: HYPERMET = 0 noise = self.config['detector']['noise'] fano = self.config['detector']['fano'] for item in data: newpeaks = [] newpeaksnames = [] element = item[1] if len(element) > 1: ele = element[0:1].upper()+element[1:2].lower() else: ele = element.upper() rays= item[2] +' xrays' if not rays in Elements.Element[ele]['rays']:continue eta = 0.0 for transition in Elements.Element[ele][rays]: eta = 0.0 fwhm = numpy.sqrt(noise*noise + \ 0.00385 *Elements.Element[ele][transition]['energy']* fano*2.3548*2.3548) newpeaks.append([Elements.Element[ele][transition]['rate'], Elements.Element[ele][transition]['energy'], fwhm,eta]) # 1.00,eta]) newpeaksnames.append(transition) if self.attflag: transmissionenergies = [x[1] for x in newpeaks] oldfunnyfactor = None for attenuator in self.config['attenuators'].keys(): if self.config['attenuators'][attenuator][0]: formula = self.config['attenuators'][attenuator][1] thickness= self.config['attenuators'][attenuator][2] * \ self.config['attenuators'][attenuator][3] if len(self.config['attenuators'][attenuator]) == 4: funnyfactor = 1.0 else: funnyfactor = self.config['attenuators'][attenuator][4] if attenuator.upper() != "MATRIX": #coeffs = thickness * numpy.array(Elements.getmassattcoef(formula,transmissionenergies)['total']) coeffs = thickness * numpy.array(Elements.getMaterialMassAttenuationCoefficients(formula,1.0,transmissionenergies)['total']) try: if attenuator.upper() != "DETECTOR": if abs(funnyfactor-1.0) > 1.0e-10: #we have a funny attenuator if (funnyfactor < 0.0) or (funnyfactor > 1.0): text = "Funny factor should be between 0.0 and 1.0., got %g" % attenuator[4] raise ValueError(text) if oldfunnyfactor is None: #only has to be multiplied once!!! oldfunnyfactor = funnyfactor trans = funnyfactor * numpy.exp(-coeffs) + \ (1.0 - funnyfactor) else: if abs(oldfunnyfactor-funnyfactor) > 0.0001: text = "All funny type attenuators must have same openning fraction" raise ValueError(text) trans = numpy.exp(-coeffs) else: #standard trans = numpy.exp(-coeffs) else: trans = (1.0 - numpy.exp(-coeffs)) except OverflowError: if coeffs < 0: raise ValueError("Positive exponent on transmission term") else: if attenuator.upper() == "DETECTOR": trans = 1.0 else: trans = 0.0 for i in range(len(newpeaks)): #if ele == 'Pb': # print "energy = %.3f ratio=%.5f transmission = %.5g final=%.5g" % (newpeaks[i][1], newpeaks[i][0],trans[i],trans[i] * newpeaks[i][0]) newpeaks[i][0] *= trans[i] if newpeaks[i][0] < MAX_ATTENUATION: newpeaks[i][0] = 0.0 else: #add the excitation energy #excitation energy = self.config['fit']['energy'] or be registered to # elements callback try: alphaIn = self.config['attenuators'][attenuator][4] except: print("warning, alphaIn set to 45 degrees") alphaIn = 45.0 try: alphaOut = self.config['attenuators'][attenuator][5] except: print("warning, alphaOut set to 45 degrees") alphaOut = 45.0 matrixExcitationEnergy = Elements.Element[ele]['buildparameters']['energy'] #matrixExcitationEnergy = self.config['fit']['energy'] if matrixExcitationEnergy is not None: transmissionenergies.append(matrixExcitationEnergy) #transmissionenergies.append(self.config['fit']['energy']) coeffs = Elements.getMaterialMassAttenuationCoefficients(formula,1.0,transmissionenergies)['total'] sinAlphaIn = numpy.sin(alphaIn * (numpy.pi)/180.) sinAlphaOut = numpy.sin(alphaOut * (numpy.pi)/180.) #if ele == 'Pb': # oldRatio = [] for i in range(len(newpeaks)): #thick target term trans = 1.0/(coeffs[-1] + coeffs[i] * (sinAlphaIn/sinAlphaOut)) if thickness > 0.0: if abs(sinAlphaIn) > 0.0: expterm = -((coeffs[-1]/sinAlphaIn) +(coeffs[i]/sinAlphaOut)) * thickness if expterm > 0.0: raise ValueError("Positive exponent on transmission term") if expterm < 30: #avoid overflow error in frozen versions try: expterm = numpy.exp(expterm) except OverflowError: expterm = 0.0 trans *= (1.0 - expterm) #if ele == 'Pb': # oldRatio.append(newpeaks[i][0]) # print "energy = %.3f ratio=%.5f transmission = %.5g final=%.5g" % (newpeaks[i][1], newpeaks[i][0],trans,trans * newpeaks[i][0]) newpeaks[i][0] *= trans if newpeaks[i][0] < MAX_ATTENUATION: newpeaks[i][0] = 0.0 del transmissionenergies[-1] else: raise ValueError(\ "Invalid excitation energy") #--- renormalize div = sum([x[0] for x in newpeaks]) try: for i in range(len(newpeaks)): newpeaks[i][0] /= div except ZeroDivisionError: text = "Intensity of %s %s is zero\n"% (ele, rays) text += "Too high attenuation?" raise ZeroDivisionError(text) """ if ele == 'Pb': dummyNew = [[newpeaks[i][1],oldRatio[i],newpeaks[i][0],newpeaks[i][0]/ oldRatio[i] ] for i in range(len(newpeaks))] dummyNew.sort() for i in range(len(newpeaks)): print "FINAL energy = %.3f oldratio = %.5g newratio=%.5g new/old = %.5g" % (dummyNew[i][0], dummyNew[i][1], dummyNew[i][2], dummyNew[i][3]) """ #--- sort --- div=[[newpeaks[i][1],newpeaks[i],newpeaksnames[i]] for i in range(len(newpeaks))] div.sort() newpeaks =[div[i][1] for i in range(len(div))] newpeaksnames=[div[i][2] for i in range(len(div))] #print "BEFORE " #for i in range(len(newpeaksnames)): # print newpeaksnames[i], newpeaks[i][1], newpeaks[i][0] tojoint=[] if len(newpeaks) > 1: if 0: #if ele == "Kr": print("ELEMENTS FILTERING ") testPeaks = [[div[i][0], div[i][1][0], div[i][2]] for i in range(len(div))] testPeaks = Elements._filterPeaks(testPeaks, ethreshold=deltaonepeak, keeptotalrate=True) for i in range(len(testPeaks)): print(testPeaks[i][2], testPeaks[i][0], testPeaks[i][1]) for i in range(len(newpeaks)): for j in range(i,len(newpeaks)): if i != j: if abs(newpeaks[i][1]-newpeaks[j][1]) < deltaonepeak: if len(tojoint): if (i in tojoint[-1]) and (j in tojoint[-1]): pass elif (i in tojoint[-1]): tojoint[-1].append(j) elif (j in tojoint[-1]): tojoint[-1].append(i) else: tojoint.append([i,j]) else: tojoint.append([i,j]) if len(tojoint): mix=[] mixname=[] for _group in tojoint: rate = 0.0 for i in _group: rate += newpeaks[i][0] ene = 0.0 fwhm = 0.0 eta = 0.0 j = 0 for i in _group: if j == 0: _threshold = newpeaks[i][0] transition = newpeaksnames[i] j = 1 ene += newpeaks[i][0] * newpeaks[i][1]/rate fwhm += newpeaks[i][0] * newpeaks[i][2]/rate eta += newpeaks[i][0] * newpeaks[i][3]/rate if newpeaks[i][0] > _threshold: _threshold = newpeaks[i][0] transition=newpeaksnames[i] mix.append([rate,ene,fwhm,eta]) mixname.append(transition) for i in range(1,len(tojoint)+1): for j in range(1,len(tojoint[-i])+1): del newpeaks[tojoint[-i][-j]] del newpeaksnames[tojoint[-i][-j]] for peak in mix: newpeaks.append(peak) for peakname in mixname: newpeaksnames.append(peakname) #if ele == "Fe": if 0: for i in range(len(newpeaks)): print(newpeaksnames[i],newpeaks[i]) #print "len newpeaks = ",len(newpeaks) (r,c)=(numpy.array(newpeaks)).shape PEAKS0ESCAPE.append([]) _nescape_ = 0 if self.config['fit']['escapeflag']: if self.__USE_FISX_ESCAPE: if DEBUG: print("Using fisx escape") xcom = FisxHelper.xcom detector_composition = Elements.getMaterialMassFractions([detele], [1.0]) xcom.updateEscapeCache(detector_composition, [newpeaks[i][1] for i in range(len(newpeaks))], energyThreshold=ethreshold, intensityThreshold=ithreshold, nThreshold=nthreshold) for i in range(len(newpeaks)): _esc_ = xcom.getEscape(detector_composition, newpeaks[i][1], energyThreshold=ethreshold, intensityThreshold=ithreshold, nThreshold=nthreshold) _esc_ = [[_esc_[x]["energy"], _esc_[x]["rate"], x[:-3].replace("_"," ")] for x in _esc_] _esc_ = Elements._filterPeaks(_esc_, ethreshold=ethreshold, ithreshold=ithreshold, nthreshold=nthreshold, absoluteithreshold=True, keeptotalrate=False) PEAKS0ESCAPE[-1].append(_esc_) _nescape_ += len(_esc_) else: for i in range(len(newpeaks)): _esc_ = Elements.getEscape([detele,1.0,1.0], newpeaks[i][1], ethreshold=ethreshold, ithreshold=ithreshold, nthreshold=nthreshold) PEAKS0ESCAPE[-1].append(_esc_) _nescape_ += len(_esc_) PEAKS0.append(numpy.array(newpeaks)) PEAKS0NAMES.append(newpeaksnames) #print ele,"PEAKS0ESCAPE[-1] = ",PEAKS0ESCAPE[-1] if not HYPERMET: if self.config['fit']['escapeflag']: if OLDESCAPE: PEAKSW.append(numpy.ones((2*r,3 + 1),numpy.float)) else: PEAKSW.append(numpy.ones(((r+_nescape_),3 + 1), numpy.float)) else: PEAKSW.append(numpy.ones((r,3 + 1),numpy.float)) else: if self.config['fit']['escapeflag']: if OLDESCAPE: PEAKSW.append(numpy.ones((2*r,3+5),numpy.float)) else: PEAKSW.append(numpy.ones(((r+_nescape_),3+5), numpy.float)) else: PEAKSW.append(numpy.ones((r,3+5),numpy.float)) elif (not usematrix) and (len(energylist) > 1): raise ValueError("Multiple energies require a matrix definition") else: print("Unknown case") print("usematrix = ",usematrix) print("self.config['fit']['energy'] =",self.config['fit']['energy']) raise ValueError("Unhandled Sample Matrix and Energy combination") ############### #add scatter peak if energylist is not None: if len(energylist) and \ (self.config['fit']['scatterflag']): for scatterindex in range(len(energylist)): if energyscatter[scatterindex]: ene = energylist[scatterindex] #print "ene = ",ene,"scatterindex = ",scatterindex #print "scatter for first energy" if ene > 0.2: for i in range(2): ene = energylist[scatterindex] if i == 1: try: alphaIn = self.config['attenuators']['Matrix'][4] except: print("WARNING: Matrix incident angle set to 45 deg.") alphaIn = 45.0 try: alphaOut = self.config['attenuators']['Matrix'][5] except: print("WARNING: Matrix outgoing angle set to 45 deg.") alphaOut = 45.0 scatteringAngle = (alphaIn + alphaOut) if len(self.config['attenuators']['Matrix']) == 8: if self.config['attenuators']['Matrix'][6]: scatteringAngle = self.config['attenuators']\ ['Matrix'][7] scatteringAngle = scatteringAngle * numpy.pi/180. ene = ene / (1.0 + (ene/511.0) * (1.0 - numpy.cos(scatteringAngle))) fwhm = numpy.sqrt(noise*noise + \ 0.00385 *ene* fano*2.3548*2.3548) PEAKS0.append(numpy.array([[1.0, ene, fwhm, 0.0]])) PEAKS0NAMES.append(['Scatter %03d' % scatterindex]) PEAKS0ESCAPE.append([]) _nescape_ = 0 if self.config['fit']['escapeflag']: if self.__USE_FISX_ESCAPE: if DEBUG: print("Using fisx escape") xcom = FisxHelper.xcom detector_composition = Elements.getMaterialMassFractions([detele], [1.0]) xcom.updateEscapeCache(detector_composition, [ene], energyThreshold=ethreshold, intensityThreshold=ithreshold, nThreshold=nthreshold) _esc_ = xcom.getEscape(detector_composition, ene, energyThreshold=ethreshold, intensityThreshold=ithreshold, nThreshold=nthreshold) _esc_ = [[_esc_[x]["energy"], _esc_[x]["rate"], x[:-3].replace("_"," ")] for x in _esc_] _esc_ = Elements._filterPeaks(_esc_, ethreshold=ethreshold, ithreshold=ithreshold, nthreshold=nthreshold, absoluteithreshold=True, keeptotalrate=False) else: _esc_ = Elements.getEscape([detele,1.0,1.0], ene, ethreshold=ethreshold, ithreshold=ithreshold, nthreshold=nthreshold) PEAKS0ESCAPE[-1].append(_esc_) _nescape_ += len(_esc_) r = 1 if not HYPERMET: if self.config['fit']['escapeflag']: if OLDESCAPE: PEAKSW.append(numpy.ones((2*r, 3 + 1),numpy.float)) else: PEAKSW.append(numpy.ones(((r+_nescape_), 3 + 1), numpy.float)) else: PEAKSW.append(numpy.ones((r, 3 + 1),numpy.float)) else: if self.config['fit']['escapeflag']: if OLDESCAPE: PEAKSW.append(numpy.ones((2*r, 3+5),numpy.float)) else: PEAKSW.append(numpy.ones(((r+_nescape_),3+5), numpy.float)) else: PEAKSW.append(numpy.ones((r,3+5),numpy.float)) ######### PARAMETERS=['Zero','Gain','Noise','Fano','Sum'] CONTINUUM = self.config['fit']['continuum'] #CONTINUUM_LIST = [None,'Constant','Linear','Parabolic', # 'Linear Polynomial','Exp. Polynomial'] if CONTINUUM < CONTINUUM_LIST.index('Linear Polynomial'): PARAMETERS.append('Constant') PARAMETERS.append('1st Order') if CONTINUUM >2: PARAMETERS.append('2nd Order') elif CONTINUUM == CONTINUUM_LIST.index('Linear Polynomial'): for i in range(self.config['fit']['linpolorder']+1): PARAMETERS.append('A%d' % i) elif CONTINUUM == CONTINUUM_LIST.index('Exp. Polynomial'): for i in range(self.config['fit']['exppolorder']+1): PARAMETERS.append('A%d' % i) if HYPERMET: PARAMETERS.append('ST AreaR') PARAMETERS.append('ST SlopeR') PARAMETERS.append('LT AreaR') PARAMETERS.append('LT SlopeR') PARAMETERS.append('STEP HeightR') else: PARAMETERS.append('Eta Factor') NGLOBAL = len(PARAMETERS) for item in data: PARAMETERS.append(item[1]+" "+item[2]) if energylist is not None: if len(energylist) and \ (self.config['fit']['scatterflag']): for scatterindex in range(len(energylist)): if energyscatter[scatterindex]: ene = energylist[scatterindex] #print "ene = ",ene,"scatterindex = ",scatterindex #print "scatter for first energy" if ene > 0.2: PARAMETERS.append("Scatter Peak%03d" % scatterindex) PARAMETERS.append("Scatter Compton%03d" % scatterindex) #PARAMETERS.append("Scatter Peak") #PARAMETERS.append("Scatter Compton") self.PEAKS0 = PEAKS0 self.PEAKS0ESCAPE = PEAKS0ESCAPE #for i in range(len(PEAKS0)): # print self.PEAKS0[i] # print self.PEAKS0ESCAPE[i] self.PEAKS0NAMES= PEAKS0NAMES self.PEAKSW = PEAKSW self.FASTER = 1 self.__HYPERMET = HYPERMET self.NGLOBAL = NGLOBAL self.PARAMETERS = PARAMETERS self.ESCAPE = self.config['fit']['escapeflag'] self.__SUM = self.config['fit']['sumflag'] self.__CONTINUUM = CONTINUUM self.MAXITER = self.config['fit']['maxiter'] self.STRIP = self.config['fit']['stripflag'] #if self.laststrip is not None: self.__mycounter = 0 calculateStrip = False if (self.STRIP != self.laststrip) or \ (self.config['fit']['stripalgorithm'] != self.laststripalgorithm) or \ (self.config['fit']['stripfilterwidth'] != self.laststripfilterwidth) or \ (self.config['fit']['stripanchorsflag'] != self.laststripanchorsflag) or \ (self.config['fit']['stripanchorslist'] != self.laststripanchorslist): calculateStrip = True if not calculateStrip: if self.config['fit']['stripalgorithm'] == 1: #checking if needed to calculate SNIP if (self.config['fit']['snipwidth'] != self.lastsnipwidth): calculateStrip = True else: #checking if needed to calculate strip if (self.config['fit']['stripiterations'] != self.laststripiterations) or \ (self.config['fit']['stripwidth'] != self.laststripwidth) or \ (self.config['fit']['stripconstant'] != self.laststripconstant): calculateStrip = True if (self.lastxmin != self.config['fit']['xmin']) or\ (self.lastxmax != self.config['fit']['xmax']): if self.ydata0 is not None: if DEBUG: print("Limits changed") self.setData(x=self.xdata0, y=self.ydata0, sigmay=self.sigmay0, xmin = self.config['fit']['xmin'], xmax = self.config['fit']['xmax'], time = self.__lastTime) return if hasattr(self, "xdata"): if self.STRIP: if calculateStrip: if DEBUG: print("Calling to calculate non analytical background in config") self.__getselfzz() else: if DEBUG: print("Using previous non analytical background in config") self.datatofit = numpy.concatenate((self.xdata, self.ydata-self.zz, self.sigmay),1) self.laststrip = 1 else: if DEBUG: print("Using previous data") self.datatofit = numpy.concatenate((self.xdata, self.ydata, self.sigmay),1) self.laststrip = 0 def setdata(self, *var, **kw): print("ClassMcaTheory.setdata deprecated, please use setData") return self.setData(*var, **kw) def setData(self,*var,**kw): """ Method to update the data to be fitted. It accepts several combinations of input arguments, the simplest to take into account is: setData(x, y sigmay=None, xmin=None, xmax=None) x corresponds to the spectrum channels y corresponds to the spectrum counts sigmay is the uncertainty associated to the counts. If not given, Poisson statistics will be assumed. If the fit configuration is set to no weight, it will not be used. xmin and xmax define the limits to be considered for performing the fit. If the fit configuration flag self.config['fit']['use_limit'] is set, they will be ignored. If xmin and xmax are not given, the whole given spectrum will be considered for fitting. time (seconds) is the factor associated to the flux, only used when using a strategy based on concentrations """ if self.__toBeConfigured: if DEBUG: print("setData RESTORE ORIGINAL CONFIGURATION") self.configure(self.__originalConfiguration) if 'x' in kw: x=kw['x'] elif len(var) >1: x=var[0] else: x=None if 'y' in kw: y=kw['y'] elif len(var) > 1: y=var[1] elif len(var) == 1: y=var[0] else: y=None if 'sigmay' in kw: sigmay=kw['sigmay'] elif len(var) >2: sigmay=var[2] else: sigmay=None if y is None: return 1 else: self.ydata0=numpy.array(y) self.ydata=numpy.array(y) if x is None: self.xdata0=numpy.arange(len(self.ydata0)) self.xdata=numpy.arange(len(self.ydata0)) else: self.xdata0=numpy.array(x) self.xdata=numpy.array(x) if sigmay is None: dummy = numpy.sqrt(abs(self.ydata0)) self.sigmay0=numpy.reshape(dummy + numpy.equal(dummy,0),self.ydata0.shape) self.sigmay=numpy.reshape(dummy + numpy.equal(dummy,0),self.ydata0.shape) else: self.sigmay0=numpy.array(sigmay) self.sigmay=numpy.array(sigmay) timeFactor = kw.get("time", None) self.__lastTime = timeFactor if timeFactor is None: if "concentrations" in self.config: if self.config["concentrations"].get("useautotime", False): if not self.config["concentrations"]["usematrix"]: msg = "Requested to use time from data but not present!!" raise ValueError(msg) elif self.config["concentrations"].get("useautotime", False): self.config["concentrations"]["time"] = timeFactor xmin = self.config['fit']['xmin'] if not self.config['fit']['use_limit']: if 'xmin' in kw: xmin=kw['xmin'] if xmin is not None: self.config['fit']['xmin'] = xmin else: xmin=min(self.xdata) elif len(self.xdata): xmin=min(self.xdata) xmax = self.config['fit']['xmax'] if not self.config['fit']['use_limit']: if 'xmax' in kw: xmax=kw['xmax'] if xmax is not None: self.config['fit']['xmax'] = xmax else: xmax=max(self.xdata) elif len(self.xdata): xmax=max(self.xdata) self.lastxmin = xmin self.lastxmax = xmax if len(self.xdata): #sort the data i1=numpy.argsort(self.xdata) self.xdata=numpy.take(self.xdata,i1) self.ydata=numpy.take(self.ydata,i1) self.sigmay=numpy.take(self.sigmay,i1) #take the data between limits i1=numpy.nonzero((self.xdata >=xmin) & (self.xdata<=xmax))[0] self.xdata=numpy.take(self.xdata,i1) n=len(self.xdata) #Calculate the background just of the regions gives better results #self.zz=SpecfitFuns.subac(self.ydata,1.000,20000) #self.zz =numpy.take(self.zz,i1) self.ydata=numpy.take(self.ydata,i1) #calculate the background here gives better results if not self.config['fit']['linearfitflag']: self.__getselfzz() else: if self.STRIP: self.__getselfzz() else: self.laststrip = None self.zz = numpy.zeros((n,1),numpy.float) self.sigmay=numpy.take(self.sigmay,i1) self.xdata = numpy.resize(self.xdata,(n,1)) self.ydata = numpy.resize(self.ydata,(n,1)) self.sigmay= numpy.resize(self.sigmay,(n,1)) if self.STRIP: self.datatofit = numpy.concatenate((self.xdata, self.ydata-self.zz, self.sigmay),1) self.laststrip = 1 else: self.datatofit = numpy.concatenate((self.xdata,self.ydata,self.sigmay),1) if self.config['fit']['linearfitflag']: self.laststrip = None else: self.laststrip = 0 def getLastTime(self): return self.__lastTime def __smooth(self,y): f=[0.25,0.5,0.25] try: if hasattr(y, "shape"): if len(y.shape) > 1: result=SpecfitFuns.SavitskyGolay(numpy.ravel(y).astype(numpy.float), self.config['fit']['stripfilterwidth']) else: result=SpecfitFuns.SavitskyGolay(numpy.array(y).astype(numpy.float), self.config['fit']['stripfilterwidth']) else: result=SpecfitFuns.SavitskyGolay(numpy.array(y).astype(numpy.float), self.config['fit']['stripfilterwidth']) except: print("Unsuccessful Savitsky-Golay smoothing: %s" % sys.exc_info()) raise result=numpy.array(y).astype(numpy.float) if len(result) > 1: result[1:-1]=numpy.convolve(result,f,mode=0) result[0]=0.5*(result[0]+result[1]) result[-1]=0.5*(result[-1]+result[-2]) return result def __getselfzz(self): n=len(self.xdata) #loop for anchors anchorslist = [] if self.config['fit']['stripanchorsflag']: if self.config['fit']['stripanchorslist'] is not None: ravelled = numpy.ravel(self.xdata) for channel in self.config['fit']['stripanchorslist']: if channel <= ravelled[0]:continue index = numpy.nonzero(ravelled >= channel)[0] if len(index): index = min(index) if index > 0: anchorslist.append(index) #work with smoothed data ysmooth = numpy.ravel(self.__smooth(self.ydata)) #SNIP algorithm if self.config['fit']['stripalgorithm'] == 1: if DEBUG: print("CALCULATING SNIP") if len(anchorslist) == 0: anchorslist = [0, len(ysmooth)-1] anchorslist.sort() self.zz = 0.0 * ysmooth lastAnchor = 0 width = self.config['fit']['snipwidth'] for anchor in anchorslist: if (anchor > lastAnchor) and (anchor < len(ysmooth)): self.zz[lastAnchor:anchor] =\ SpecfitFuns.snip1d(ysmooth[lastAnchor:anchor], width, 0) lastAnchor = anchor if lastAnchor < len(ysmooth): self.zz[lastAnchor:] =\ SpecfitFuns.snip1d(ysmooth[lastAnchor:], width, 0) self.zz.shape = n, 1 self.laststripalgorithm = self.config['fit']['stripalgorithm'] self.lastsnipwidth = self.config['fit']['snipwidth'] self.laststripfilterwidth = self.config['fit']['stripfilterwidth'] self.laststripanchorsflag = self.config['fit']['stripanchorsflag'] self.laststripanchorslist = self.config['fit']['stripanchorslist'] return #strip background niter = self.config['fit']['stripiterations'] if niter > 0: if DEBUG: print("CALCULATING STRIP") if (niter > 1000) and (self.config['fit']['stripwidth'] == 1): self.zz=SpecfitFuns.subac(ysmooth, self.config['fit']['stripconstant'], niter/20,4, anchorslist) self.zz=SpecfitFuns.subac(self.zz, self.config['fit']['stripconstant'], niter/4, self.config['fit']['stripwidth'], anchorslist) else: self.zz=SpecfitFuns.subac(ysmooth, self.config['fit']['stripconstant'], niter, self.config['fit']['stripwidth'], anchorslist) if niter > 1000: #make sure to get something smooth self.zz = SpecfitFuns.subac(self.zz, self.config['fit']['stripconstant'], 500,1, anchorslist) else: #make sure to get something smooth but with less than #500 iterations self.zz = SpecfitFuns.subac(self.zz, self.config['fit']['stripconstant'], int(self.config['fit']['stripwidth']*2), 1, anchorslist) self.zz = numpy.resize(self.zz,(n,1)) else: self.zz = numpy.zeros((n,1),numpy.float) + min(ysmooth) self.laststripalgorithm = self.config['fit']['stripalgorithm'] self.laststripwidth = self.config['fit']['stripwidth'] self.laststripfilterwidth = self.config['fit']['stripfilterwidth'] self.laststripconstant = self.config['fit']['stripconstant'] self.laststripiterations = self.config['fit']['stripiterations'] self.laststripanchorsflag = self.config['fit']['stripanchorsflag'] self.laststripanchorslist = self.config['fit']['stripanchorslist'] def getPeakMatrixContribution(self,param0,t0=None,hypermet=None, continuum=None,summing=None): """ For the time being a huge copy paste from mcatheory """ if continuum is None: continuum = self.__CONTINUUM if hypermet is None: hypermet = self.__HYPERMET if summing is None: summing = self.__SUM param= numpy.array(param0) #param= numpy.ones(param.shape, numpy.float) if t0 is None:t0 = self.xdata x = numpy.array(t0) matrix = numpy.zeros((len(x),len(param)-self.NGLOBAL)).astype(numpy.float) zero = param[0] gain = param[1] energy=zero + gain * x #print energy noise= param[2] * param[2] fano = param[3] * 2.3548*2.3548*0.00385 #t=time.time() PEAKS0 = self.PEAKS0 PEAKS0ESCAPE = self.PEAKS0ESCAPE PEAKSW = self.PEAKSW PARAMETERS = self.PARAMETERS FASTER = 0 for i in range(len(param[self.NGLOBAL:])): result = 0 * energy if self.ESCAPE: #area = param[NGLOBAL+i] (r,c) = (PEAKS0[i]).shape PEAKSW[i][0:r,0] = PEAKS0[i][:,0] * 1 * gain PEAKSW[i][0:r,1] = PEAKS0[i][:,1] * 1.0 PEAKSW[i][0:r,2] = numpy.sqrt(noise + PEAKS0[i][:,1] * fano) #escape if OLDESCAPE: PEAKSW[i][r:,0] = PEAKSW[i][0:r,0] * PEAKS0[i][:,3] PEAKSW[i][r:,1] = PEAKS0[i][:,1] - self.config['detector']['detene'] PEAKSW[i][r:,2] = numpy.sqrt(noise + \ (PEAKSW[i][r:,1]>0) * PEAKSW[i][r:,1] * fano) else: ii=0 j=0 for esc_group in PEAKS0ESCAPE[i]: for esc_line in esc_group: esc_ene = esc_line[0] * 1.0 esc_rate = esc_line[1] PEAKSW[i][j+r,0] = PEAKSW[i][ii,0] * esc_rate PEAKSW[i][j+r,1] = esc_ene j = j + 1 ii = ii + 1 PEAKSW[i][r:, 2] = numpy.sqrt(noise + \ (PEAKSW[i][r:,1]>0) * PEAKSW[i][r:,1] * fano) (rw,cw) = (PEAKSW[i]).shape if 0 and self.PARAMETERS[self.NGLOBAL+i] =='Fe K': for ii in range(rw): if ii < r: print(self.PARAMETERS[self.NGLOBAL+i],"PEAK ",ii,PEAKSW[i][ii]) else: print(self.PARAMETERS[self.NGLOBAL+i],"PEAKesc ",ii,PEAKSW[i][ii]) #print PARAMETERS[self.NGLOBAL+i] #print PEAKSW[i][:,1] #print PEAKS0ESCAPE[i] #for j in range(PEAKSW[i].shape[0]): # print "H = ", PEAKSW[i][j*r,0],"E = ",PEAKSW[i][j*r,1] #if HYPERMET: if hypermet: PEAKSW[i] [0:r,3] = param[PARAMETERS.index('ST AreaR')] PEAKSW[i] [:,4] = param[PARAMETERS.index('ST SlopeR')] PEAKSW[i] [0:r,5] = param[PARAMETERS.index('LT AreaR')] PEAKSW[i] [:,6] = param[PARAMETERS.index('LT SlopeR')] PEAKSW[i] [0:r,7] = param[PARAMETERS.index('STEP HeightR')] #neglect tails in escape peaks PEAKSW[i] [r:,3] = 0.0 PEAKSW[i] [r:,5] = 0.0 PEAKSW[i] [r:,7] = 0.0 if not FASTER: #if HYPERMET: if hypermet: if i == 0: result = SpecfitFuns.ahypermet(PEAKSW[i],energy,hypermet) else: result += SpecfitFuns.ahypermet(PEAKSW[i],energy,hypermet) else: if i == 0: result = SpecfitFuns.apvoigt(PEAKSW[i],energy) else: result += SpecfitFuns.apvoigt(PEAKSW[i],energy) else: PEAKSW[i][:,0] = PEAKS0[i][:,0] * param[self.NGLOBAL+i] * gain PEAKSW[i][:,1] = PEAKS0[i][:,1] * 1.0 PEAKSW[i][:,2] = numpy.sqrt(noise + PEAKS0[i][:,1] * fano) if hypermet: PEAKSW[i] [:,3] = param[PARAMETERS.index('ST AreaR')] PEAKSW[i] [:,4] = param[PARAMETERS.index('ST SlopeR')] PEAKSW[i] [:,5] = param[PARAMETERS.index('LT AreaR')] PEAKSW[i] [:,6] = param[PARAMETERS.index('LT SlopeR')] PEAKSW[i] [:,7] = param[PARAMETERS.index('STEP HeightR')] else: #pseudo voigt PEAKSW[i] [:,3] = param[PARAMETERS.index('Eta Factor')] if not FASTER: if hypermet: if i == 0: result = SpecfitFuns.ahypermet(PEAKSW[i],energy,hypermet) else: result += SpecfitFuns.ahypermet(PEAKSW[i],energy,hypermet) else: if i == 0: result = SpecfitFuns.apvoigt(PEAKSW[i],energy) else: result += SpecfitFuns.apvoigt(PEAKSW[i],energy) #print "shape = ",result.shape #print "matrix = ",matrix.shape matrix[:,i] = result[:,0] return matrix def linearMcaTheory(self, param0, t0, hypermet=None, continuum=None, summing=None): if continuum is None: continuum = self.__CONTINUUM if hypermet is None: hypermet = self.__HYPERMET if summing is None: summing = self.__SUM param= numpy.array(param0) x = numpy.array(t0) zero = param[0] gain = param[1] #the loop in mcatheory is replaced by this single line if len(self.PEAKSW[:]): result = numpy.sum(param[self.NGLOBAL:] * self.linearMatrix, 1) else: result = 0.0 * x if continuum: result += self.continuum(param,x) if summing: xmin=int(x[0]) return result+param[4]*SpecfitFuns.pileup(result, xmin, zero, gain) else: return result def mcatheory(self,param0,t0,hypermet=None,continuum=None,summing=None): if continuum is None: continuum = self.__CONTINUUM if hypermet is None: hypermet = self.__HYPERMET if summing is None: summing = self.__SUM param= numpy.array(param0) x = numpy.array(t0) zero = param[0] gain = param[1] energy=zero + gain * x #print energy noise= param[2] * param[2] fano = param[3] * 2.3548*2.3548*0.00385 #t=time.time() PEAKS0 = self.PEAKS0 PEAKS0ESCAPE = self.PEAKS0ESCAPE PEAKSW = self.PEAKSW PARAMETERS = self.PARAMETERS FASTER = self.FASTER for i in range(len(param[self.NGLOBAL:])): if self.ESCAPE: #area = param[NGLOBAL+i] (r,c) = (PEAKS0[i]).shape PEAKSW[i][0:r,0] = PEAKS0[i][:,0] * param[self.NGLOBAL+i] * gain PEAKSW[i][0:r,1] = PEAKS0[i][:,1] * 1.0 PEAKSW[i][0:r,2] = numpy.sqrt(noise + PEAKS0[i][:,1] * fano) #escape if OLDESCAPE: PEAKSW[i][r:,0] = PEAKSW[i][0:r,0] * PEAKS0[i][:,3] PEAKSW[i][r:,1] = PEAKS0[i][:,1] - self.config['detector']['detene'] PEAKSW[i][r:,2] = numpy.sqrt(noise + \ (PEAKSW[i][r:,1]>0) * PEAKSW[i][r:,1] * fano) else: ii=0 j=0 for esc_group in PEAKS0ESCAPE[i]: for esc_line in esc_group: esc_ene = esc_line[0] * 1.0 esc_rate = esc_line[1] PEAKSW[i][j+r,0] = PEAKSW[i][ii,0] * esc_rate PEAKSW[i][j+r,1] = esc_ene j = j + 1 ii = ii + 1 PEAKSW[i][r:, 2] = numpy.sqrt(noise + \ (PEAKSW[i][r:,1]>0) * PEAKSW[i][r:,1] * fano) (rw,cw) = (PEAKSW[i]).shape if 0 and self.PARAMETERS[self.NGLOBAL+i] =='Fe K': for ii in range(rw): if ii < r: print(self.PARAMETERS[self.NGLOBAL+i],"PEAK ",ii,PEAKSW[i][ii]) else: print(self.PARAMETERS[self.NGLOBAL+i],"PEAKesc ",ii,PEAKSW[i][ii]) #print PARAMETERS[self.NGLOBAL+i] #print PEAKSW[i][:,1] #print PEAKS0ESCAPE[i] #for j in range(PEAKSW[i].shape[0]): # print "H = ", PEAKSW[i][j*r,0],"E = ",PEAKSW[i][j*r,1] #if HYPERMET: if hypermet: PEAKSW[i] [0:r,3] = param[PARAMETERS.index('ST AreaR')] PEAKSW[i] [:,4] = param[PARAMETERS.index('ST SlopeR')] PEAKSW[i] [0:r,5] = param[PARAMETERS.index('LT AreaR')] PEAKSW[i] [:,6] = param[PARAMETERS.index('LT SlopeR')] PEAKSW[i] [0:r,7] = param[PARAMETERS.index('STEP HeightR')] #neglect tails in escape peaks PEAKSW[i] [r:,3] = 0.0 PEAKSW[i] [r:,5] = 0.0 PEAKSW[i] [r:,7] = 0.0 else: PEAKSW[i] [:,3] = param[PARAMETERS.index('Eta Factor')] if not FASTER: print("not FASTER") #if HYPERMET: if hypermet: if i == 0: result = SpecfitFuns.ahypermet(PEAKSW[i],energy,hypermet) else: result += SpecfitFuns.ahypermet(PEAKSW[i],energy,hypermet) else: if i == 0: result = SpecfitFuns.apvoigt(PEAKSW[i],energy) else: result += SpecfitFuns.apvoigt(PEAKSW[i],energy) else: PEAKSW[i][:,0] = PEAKS0[i][:,0] * param[self.NGLOBAL+i] * gain PEAKSW[i][:,1] = PEAKS0[i][:,1] * 1.0 PEAKSW[i][:,2] = numpy.sqrt(noise + PEAKS0[i][:,1] * fano) if hypermet: PEAKSW[i] [:,3] = param[PARAMETERS.index('ST AreaR')] PEAKSW[i] [:,4] = param[PARAMETERS.index('ST SlopeR')] PEAKSW[i] [:,5] = param[PARAMETERS.index('LT AreaR')] PEAKSW[i] [:,6] = param[PARAMETERS.index('LT SlopeR')] PEAKSW[i] [:,7] = param[PARAMETERS.index('STEP HeightR')] else: PEAKSW[i] [:,3] = param[PARAMETERS.index('Eta Factor')] if not FASTER: if hypermet: if i == 0: result = SpecfitFuns.ahypermet(PEAKSW[i],energy,hypermet) else: result += SpecfitFuns.ahypermet(PEAKSW[i],energy,hypermet) else: if i == 0: result = SpecfitFuns.apvoigt(PEAKSW[i],energy) else: result += SpecfitFuns.apvoigt(PEAKSW[i],energy) #print PARAMETERS[self.NGLOBAL+4] #print self.PEAKS0NAMES[4] #print PEAKSW[4] #print "loop takes ",time.time()-t #loop takes 0.006 seconds #t=time.time() if FASTER: if len(PEAKSW[:]): a=numpy.concatenate(PEAKSW[:]) #t=time.time() #result = SpecfitFuns.agauss(a,energy) #if HYPERMET: if hypermet: result = SpecfitFuns.fastahypermet(a,energy,hypermet) else: result = SpecfitFuns.apvoigt(a,energy) else: result = 0.0 * x #print "eval = ",time.time()-t #evaluation takes 0.058 seconds #with less peaks 0.036 #with tabulated function 0.018 if continuum: result += self.continuum(param,x) if summing: if 0: pileup = numpy.arange(3*len(x))*0.0 sumfactor = param[4] xmin=int(x[0]) offset = zero / gain for i in range(len(result)): pileup[i+xmin-offset:i+len(result)+xmin-i-offset] += sumfactor * result[i] *result[0:len(result)-i] return result+pileup[0:len(result)] else: #summing takes 0.0047 seconds xmin=int(x[0]) return result+param[4]*SpecfitFuns.pileup(result, xmin, zero, gain) else: return result def continuum(self,param,x): #CONTINUUM_LIST = [None,'Constant','Linear','Parabolic','Linear Polynomial','Exp. Polynomial'] if self.__CONTINUUM == CONTINUUM_LIST.index('Constant'): return param[self.PARAMETERS.index('Constant')] + 0.0 * x elif self.__CONTINUUM == CONTINUUM_LIST.index('Linear'): return param[self.PARAMETERS.index('Constant')] + \ param[self.PARAMETERS.index('1st Order')] * x elif self.__CONTINUUM == CONTINUUM_LIST.index('Parabolic'): return param[self.PARAMETERS.index('Constant')] + \ param[self.PARAMETERS.index('1st Order')] * x +\ param[self.PARAMETERS.index('2nd Order')] * x * x elif self.__CONTINUUM == CONTINUUM_LIST.index('Linear Polynomial'): energy = param[0] + param[1] * (x - numpy.sum(x)/len(x)) if self.__HYPERMET: return self.linpol(param[(self.PARAMETERS.index('Sum')+1):self.NGLOBAL-5],energy) else: return self.linpol(param[(self.PARAMETERS.index('Sum')+1):self.NGLOBAL-1],energy) elif self.__CONTINUUM == CONTINUUM_LIST.index('Exp. Polynomial'): energy = param[0] + param[1] * (x - numpy.sum(x)/len(x)) if self.__HYPERMET: return self.exppol(param[(self.PARAMETERS.index('Sum')+1):self.NGLOBAL-5],energy) else: return self.exppol(param[(self.PARAMETERS.index('Sum')+1):self.NGLOBAL-1],energy) else: return 0.0 * x def num_deriv(self, param0,index,t0): #numerical derivative x=numpy.array(t0) delta = (param0[index] + numpy.equal(param0[index],0.0)) * 0.00001 newpar = param0.__copy__() newpar[index] = param0[index] + delta f1 = self.mcatheory(newpar, x) newpar[index] = param0[index] - delta f2 = self.mcatheory(newpar, x) return (f1-f2) / (2.0 * delta) def linearMcaTheoryDerivative(self, param0, index, t0): NGLOBAL = self.NGLOBAL if index > NGLOBAL-1: return self.linearMatrix[:, index-NGLOBAL] PARAMETERS = self.PARAMETERS if self.__CONTINUUM and (PARAMETERS[index] == 'Constant'): return numpy.ones(len(t0)).astype(numpy.float) elif self.__CONTINUUM and (PARAMETERS[index] == '1st Order'): return numpy.array(t0).astype(numpy.float) elif self.__CONTINUUM and (PARAMETERS[index] == '2nd Order'): a = numpy.array(t0).astype(numpy.float) return a*a elif (self.__CONTINUUM == CONTINUUM_LIST.index('Linear Polynomial')) and \ (PARAMETERS[index] == ( 'A%d' % (index-PARAMETERS.index('Sum')-1))): param=numpy.array(param0, copy=False) x=numpy.array(t0, copy=False) zero = param[0] gain = param[1] * 1.0 energy=zero + gain * x energy -= numpy.sum(energy)/len(energy) return pow(energy,index-PARAMETERS.index('Sum')-1) elif self.__CONTINUUM == CONTINUUM_LIST.index('Exp. Polynomial') and \ PARAMETERS[index] == ('A%d' % (index-PARAMETERS.index('Sum')-1)): text = "Linear Least-Squares Fit incompatible\n" text += "with Exponential Background" raise ValueError(text) else: #I guess I will not arrive here #numerical derivative #print "index = ",index x=numpy.array(t0) delta = (param0[index] + numpy.equal(param0[index],0.0)) * 0.00001 newpar = param0.__copy__() newpar[index] = param0[index] + delta f1 = self.linearMcaTheory(newpar, x) newpar[index] = param0[index] - delta f2 = self.linearMcaTheory(newpar, x) #print "f1,f2,delta = ",f1,f2,delta return (f1-f2) / (2.0 * delta) def analyticalDerivative(self, param0, index, t0): """ analyticalDerivative(self, parameters, index, x) Internal function to calculate the derivative of the fitting function f(parameters, x) respect to the parameter given by the index at the array of points x. """ NGLOBAL = self.NGLOBAL HYPERMET = self.__HYPERMET PARAMETERS = self.PARAMETERS ESCAPE = self.ESCAPE PEAKS0 = self.PEAKS0 if index > NGLOBAL-1: param=numpy.array(param0) x=numpy.array(t0) zero = param[0] gain = param[1] * 1.0 energy=zero + gain * x #print energy noise= param[2]*param[2] fano = param[3]*2.3548*2.3548*0.00385 i=index-NGLOBAL #for i in range(len(param[index-4]))): if ESCAPE: (r,c) = (PEAKS0[i]).shape if OLDESCAPE: if HYPERMET: dummy = numpy.ones((2*r,3+5*(HYPERMET > 0)), numpy.float) else: dummy = numpy.ones((2*r,3+1), numpy.float) dummy[0:r,0] = PEAKS0[i][:,0] * gain dummy[0:r,1] = PEAKS0[i][:,1] * 1.0 dummy[0:r,2] = numpy.sqrt(noise+ PEAKS0[i][:,1] * fano) dummy[r:,0] = PEAKS0[i][:,0] * gain * PEAKS0[i][:,3] dummy[r:,1] = PEAKS0[i][:,1] - self.config['detector']['detene'] dummy[r:,2] = numpy.sqrt(noise + (dummy[r:,1]>0) * dummy[r:,1] * fano) else: n_escape_lines = self.PEAKSW[i].shape[0] - r #if 1:print "nlines = ",r, "n escape lines =",n_escape_lines if HYPERMET: dummy = numpy.ones((r + n_escape_lines, 3+5*(HYPERMET > 0)), numpy.float) else: dummy = numpy.ones((r + n_escape_lines, 3+1), numpy.float) dummy[0:r,0] = PEAKS0[i][:,0] * gain dummy[0:r,1] = PEAKS0[i][:,1] * 1.0 dummy[0:r,2] = numpy.sqrt(noise+ PEAKS0[i][:,1] * fano) ii=0 j=0 for esc_group in self.PEAKS0ESCAPE[i]: for esc_line in esc_group: esc_ene = esc_line[0] * 1.0 esc_rate = esc_line[1] dummy[j+r, 0] = dummy[ii,0] * esc_rate dummy[j+r, 1] = esc_ene j = j + 1 ii = ii + 1 dummy[r:, 2] = numpy.sqrt(noise + (dummy[r:,1]>0) * dummy[r:,1] * fano) #for jj in range(r+n_escape_lines): # print index, dummy[jj, 1], dummy[jj, 0], dummy[jj, 2] else: (r,c) = (PEAKS0[i]).shape if HYPERMET: dummy = numpy.ones((r,3+5*(HYPERMET > 0)),numpy.float) else: dummy = numpy.ones((r,3+1),numpy.float) dummy[0:r,0] = PEAKS0[i][:,0] * gain dummy[0:r,1] = PEAKS0[i][:,1] * 1.0 dummy[0:r,2] = numpy.sqrt(noise + PEAKS0[i][:,1] * fano) if HYPERMET: dummy[0:r,3] = param[PARAMETERS.index('ST AreaR')] dummy[r:,3] = 0.0 dummy[:,4] = param[PARAMETERS.index('ST SlopeR')] dummy[0:r,5] = param[PARAMETERS.index('LT AreaR')] dummy[r:,5] = 0.0 dummy[:,6] = param[PARAMETERS.index('LT SlopeR')] dummy[0:r,7] = param[PARAMETERS.index('STEP HeightR')] dummy[r:,7] = 0.0 else: dummy[0:,3] = param[PARAMETERS.index('Eta Factor')] if self.FASTER: if HYPERMET: return SpecfitFuns.fastahypermet(dummy,energy,HYPERMET) else: return SpecfitFuns.apvoigt(dummy,energy) else: if HYPERMET: return SpecfitFuns.ahypermet(dummy,energy,HYPERMET) else: return SpecfitFuns.apvoigt(dummy,energy) elif HYPERMET and (PARAMETERS[index] == 'ST AreaR'): param=numpy.array(param0) x=numpy.array(t0) param[index] = 1.0 return self.mcatheory(param,x,hypermet=2,continuum=0) elif HYPERMET and (PARAMETERS[index] == 'LT AreaR'): param=numpy.array(param0) x=numpy.array(t0) param[index] = 1.0 return self.mcatheory(param,x,hypermet=4,continuum=0) elif HYPERMET and (PARAMETERS[index] == 'STEP HeightR'): param=numpy.array(param0) x=numpy.array(t0) param[index] = 1.0 return self.mcatheory(param,x,hypermet=8,continuum=0) elif self.__CONTINUUM and (PARAMETERS[index] == 'Constant'): return numpy.ones(len(t0)) elif self.__CONTINUUM and (PARAMETERS[index] == '1st Order'): return numpy.array(t0) elif self.__CONTINUUM and (PARAMETERS[index] == '2nd Order'): return numpy.array(t0)*numpy.array(t0) elif (self.__CONTINUUM == CONTINUUM_LIST.index('Linear Polynomial')) and \ (PARAMETERS[index] == ( 'A%d' % (index-PARAMETERS.index('Sum')-1))): param=numpy.array(param0) x=numpy.array(t0) zero = param[0] gain = param[1] * 1.0 energy=zero + gain * x energy -= numpy.sum(energy)/len(energy) return pow(energy,index-PARAMETERS.index('Sum')-1) elif self.__CONTINUUM == CONTINUUM_LIST.index('Exp. Polynomial') and \ PARAMETERS[index] == ('A%d' % (index-PARAMETERS.index('Sum')-1)): param=numpy.array(param0) x=numpy.array(t0) zero = param[0] gain = param[1] * 1.0 energy=zero + gain * x energy -= numpy.sum(energy)/len(energy) if HYPERMET: parameters = param[(PARAMETERS.index('Sum')+1):NGLOBAL-5] else: parameters = param[(PARAMETERS.index('Sum')+1):NGLOBAL] return self.exppol_deriv(parameters,index-PARAMETERS.index('Sum')-1,energy) else: #numerical derivative #print "index = ",index x=numpy.array(t0) delta = (param0[index] + numpy.equal(param0[index],0.0)) * 0.00001 newpar = param0.__copy__() newpar[index] = param0[index] + delta f1 = self.mcatheory(newpar, x) newpar[index] = param0[index] - delta f2 = self.mcatheory(newpar, x) #print "f1,f2,delta = ",f1,f2,delta return (f1-f2) / (2.0 * delta) def estimate(self): if self.__toBeConfigured: if DEBUG: print("CONFIGURING FROM ESTIMATION") self.configure(self.__originalConfiguration) self.parameters, self.codes = self.specfitestimate(self.xdata, self.ydata,self.zz) #self.estimatelinpoly(self.xdata, self.ydata,self.zz) #self.estimateexppoly(self.xdata, self.ydata,self.zz) #print self.codes[:,3] def specfitestimate(self,x,y,z,xscaling=1.0,yscaling=1.0): if self.PARAMETERS is None: self.__configure() PARAMETERS = self.PARAMETERS HYPERMET = self.__HYPERMET NGLOBAL = self.NGLOBAL CONTINUUM = self.__CONTINUUM #linear fit flag linearfit = self.config['fit'].get("linearfitflag", 0) newpar=[] #default parameters from config zero = self.config['detector']['zero'] if self.config['detector']['fixedzero'] or linearfit: pass elif abs(zero) < 1.0E-10: #try to avoid a zero derivative because #the initial zero is too small zero = 0.0 gain = self.config['detector']['gain'] sumfactor = self.config['detector']['sum'] newpar.append(zero) newpar.append(gain) newpar.append(self.config['detector']['noise']) newpar.append(self.config['detector']['fano']) newpar.append(sumfactor) ##################### if CONTINUUM == CONTINUUM_LIST.index('Linear Polynomial'): if linearfit: #no need to estimate background backpar = [] for i in range(self.config['fit']['linpolorder']+1): backpar.append(0.0) backcodes=numpy.zeros((3,len(backpar)),numpy.float) else: backpar,backcodes=self.estimatelinpol(self.xdata, self.ydata,self.zz) elif CONTINUUM == CONTINUUM_LIST.index('Exp. Polynomial'): if linearfit: if 1: text = "Linear fit is incompatible with current implementation\n" text += "of the Exponential Polynomial background" raise ValueError(text) else: #no need to estimate background backpar = [] for i in range(self.config['fit']['exppolorder']+1): backpar.append(0.0) backcodes=numpy.zeros((3,len(backpar)),numpy.float) else: backpar,backcodes=self.estimateexppol(self.xdata, self.ydata,self.zz) else: backpar = [] if HYPERMET: for i in range(5,NGLOBAL-5): backpar.append(0.0) else: for i in range(5,NGLOBAL-1): backpar.append(0.0) backcodes=numpy.zeros((3,len(backpar)),numpy.float) if CONTINUUM == 0: backcodes[0,:] = Gefit.CFIXED elif CONTINUUM == CONTINUUM_LIST.index('Constant'): backcodes[0,1] = Gefit.CFIXED for par in backpar: newpar.append(par) #initial areas if HYPERMET: hypermetflag = HYPERMET # g_term = hypermetflag & 1 st_term = (hypermetflag >>1) & 1 lt_term = (hypermetflag >>2) & 1 step_term = (hypermetflag >>3) & 1 st_area = self.config['peakshape']['st_arearatio'] st_slope = self.config['peakshape']['st_sloperatio'] lt_area = self.config['peakshape']['lt_arearatio'] lt_slope = self.config['peakshape']['lt_sloperatio'] step_height = self.config['peakshape']['step_heightratio'] if st_term: newpar.append(st_area) newpar.append(st_slope) else: newpar.append(0.0) newpar.append(st_slope) if lt_term: newpar.append(lt_area) newpar.append(lt_slope) else: newpar.append(0.0) newpar.append(lt_slope) if step_term: newpar.append(step_height) else: newpar.append(0.0) else: eta_factor = self.config['peakshape']['eta_factor'] newpar.append(eta_factor) if not linearfit: for i in range(len(PARAMETERS)-NGLOBAL): newpar.append(10000.0) else: for i in range(len(PARAMETERS)-NGLOBAL): newpar.append(1.0) # the codes codes = numpy.zeros((3,len(newpar)),numpy.float) codes[0,:] = Gefit.CPOSITIVE # POSITIVE codes[0,0:4] = Gefit.CQUOTED # QUOTED if self.__SUM==0: newpar[PARAMETERS.index('Sum')] = 0.0 codes[0,PARAMETERS.index('Sum')] = Gefit.CFIXED else: codes[0,PARAMETERS.index('Sum')] = Gefit.CQUOTED for i in range(len(backpar)): newpar[PARAMETERS.index('Sum')+i+1] = backpar[i] codes [0,PARAMETERS.index('Sum')+i+1]= backcodes[0,i] codes [1,PARAMETERS.index('Sum')+i+1]= backcodes[1,i] codes [2,PARAMETERS.index('Sum')+i+1]= backcodes[2,i] #in case of linear fit all non linear parameters have to be fixed to the initial values if self.config['detector']['fixedzero'] or linearfit :codes[0,PARAMETERS.index('Zero')] = Gefit.CFIXED if self.config['detector']['fixedgain'] or linearfit :codes[0,PARAMETERS.index('Gain')] = Gefit.CFIXED if self.config['detector']['fixednoise']or linearfit :codes[0,PARAMETERS.index('Noise')]= Gefit.CFIXED if self.config['detector']['fixedfano'] or linearfit :codes[0,PARAMETERS.index('Fano')] = Gefit.CFIXED if self.config['detector']['fixedsum'] or linearfit :codes[0,PARAMETERS.index('Sum')] = Gefit.CFIXED codes[1,0] = newpar[0] - self.config['detector']['deltazero'] codes[1,1] = newpar[1] - self.config['detector']['deltagain'] codes[1,2] = newpar[2] - self.config['detector']['deltanoise'] codes[1,3] = newpar[3] - self.config['detector']['deltafano'] codes[1,4] = newpar[4] - self.config['detector']['deltasum'] codes[2,0] = newpar[0] + self.config['detector']['deltazero'] codes[2,1] = newpar[1] + self.config['detector']['deltagain'] codes[2,2] = newpar[2] + self.config['detector']['deltanoise'] codes[2,3] = newpar[3] + self.config['detector']['deltafano'] codes[2,4] = newpar[4] + self.config['detector']['deltasum'] if HYPERMET: i = PARAMETERS.index('ST AreaR') for j in range(5): codes[0,i+j] = Gefit.CFIXED if st_term: i = PARAMETERS.index('ST AreaR') codes[0,i] = Gefit.CQUOTED if self.config['peakshape']['fixedst_arearatio'] or linearfit:codes[0,i] = Gefit.CFIXED codes[1,i] = newpar[i] + self.config['peakshape']['deltast_arearatio'] codes[2,i] = newpar[i] - self.config['peakshape']['deltast_arearatio'] i = PARAMETERS.index('ST SlopeR') codes[0,i] = Gefit.CQUOTED if self.config['peakshape']['fixedst_sloperatio'] or linearfit:codes[0,i] = Gefit.CFIXED codes[1,i] = newpar[i] + self.config['peakshape']['deltast_sloperatio'] codes[2,i] = newpar[i] - self.config['peakshape']['deltast_sloperatio'] if lt_term: i = PARAMETERS.index('LT AreaR') codes[0,i] = Gefit.CQUOTED if self.config['peakshape']['fixedlt_arearatio'] or linearfit:codes[0,i] = Gefit.CFIXED codes[1,i] = newpar[i] + self.config['peakshape']['deltalt_arearatio'] codes[2,i] = newpar[i] - self.config['peakshape']['deltalt_arearatio'] i = PARAMETERS.index('LT SlopeR') codes[0,i] = Gefit.CQUOTED if self.config['peakshape']['fixedlt_sloperatio'] or linearfit:codes[0,i] = Gefit.CFIXED codes[1,i] = newpar[i] + self.config['peakshape']['deltalt_sloperatio'] codes[2,i] = newpar[i] - self.config['peakshape']['deltalt_sloperatio'] if step_term: i = PARAMETERS.index('STEP HeightR') codes[0,i] = Gefit.CQUOTED if self.config['peakshape']['fixedstep_heightratio'] or linearfit:codes[0,i] = Gefit.CFIXED codes[1,i] = newpar[i] + self.config['peakshape']['deltastep_heightratio'] codes[2,i] = newpar[i] - self.config['peakshape']['deltastep_heightratio'] else: i = PARAMETERS.index('Eta Factor') codes[0, i] = Gefit.CQUOTED if self.config['peakshape']['fixedeta_factor'] or linearfit: codes[0,i] = Gefit.CFIXED codes[1,i] = max(newpar[i] + self.config['peakshape']['deltaeta_factor'], 0.0) codes[2,i] = min(newpar[i] - self.config['peakshape']['deltaeta_factor'], 1.0) #""" #firstshot=mcatheory(newpar,x) #a linear fit does not need an initial estimate of the areas noise = pow(self.config['detector']['noise'], 2) fano = self.config['detector']['fano'] * 2.3548*2.3548*0.00385 if not linearfit: for i in range(len(PARAMETERS)-NGLOBAL): rates = self.PEAKS0[i][:, 0] positions = (self.PEAKS0[i][:, 1] - zero)/gain # fwhms = (self.PEAKS0[i][:, 2])/gain i1 = numpy.nonzero((positions >= x[0]) & (positions <= x[-1]))[0] # numpy.take uses by default axis=None # Numeric.take uses by default axis=0 inpeaks = numpy.take(self.PEAKS0[i],i1, axis=0) if len(inpeaks): fmax = max(inpeaks[:,0]) jmax = 0 for j in range(len(inpeaks[:,1])): if fmax < inpeaks[j,0]: fmax = inpeaks[j,0] jmax = j j = jmax position = (inpeaks[j,1] - zero)/gain fwhm = (inpeaks[j,2])/gain n = max(numpy.nonzero(numpy.ravel(x)<=position)[0]) height = numpy.ravel(y - z)[n] #area = ((height * fwhm/2.3548)*sqrt(2*3.14159))/fmax area = ((height * fwhm/2.3548)*numpy.sqrt(2*3.14159)) newpar[i+NGLOBAL] = area elif not self.config['fit']['escapeflag']: #peaks outside fitting region #force zero area newpar[i+NGLOBAL] = 0.0 codes[0,i+NGLOBAL]= Gefit.CFIXED else: #peaks outside fitting region #prior to force them to zero area, let's #check if their escape peaks fall into the #fitting region #print "expected shape = ",self.PEAKSW[i].shape #print "n escape lines = ",self.PEAKSW[i].shape[0] - len(rates) #get the number of escape lines to get a proper buffer n_escape_lines = self.PEAKSW[i].shape[0] - len(rates) peak_buffer = numpy.zeros((n_escape_lines, 3)).astype(numpy.float) ii=0 jj=0 for esc_group in self.PEAKS0ESCAPE[i]: for esc_line in esc_group: esc_ene = esc_line[0] * 1.0 esc_rate = esc_line[1] peak_buffer[jj,0] = self.PEAKS0[i][ii,0] * esc_rate peak_buffer[jj,1] = esc_ene jj = jj + 1 ii = ii + 1 peak_buffer[:, 2] = numpy.sqrt(noise + \ (peak_buffer[:,1]>0) * peak_buffer[:,1] * \ fano) rates = peak_buffer[:,0] positions = (peak_buffer[:,1] - zero)/gain i1 = numpy.nonzero((positions >= x[0]) & (positions <= x[-1]))[0] inpeaks = numpy.take(peak_buffer, i1, axis=0) if len(inpeaks): fmax = max(inpeaks[:,0]) jmax = 0 for j in range(len(inpeaks[:,1])): if fmax < inpeaks[j,0]: fmax = inpeaks[j,0] jmax = j if fmax <= 0: newpar[i+NGLOBAL] = 0.0 codes[0,i+NGLOBAL]= Gefit.CFIXED else: j = jmax position = (inpeaks[j,1] - zero)/gain fwhm = (inpeaks[j,2])/gain n = max(numpy.nonzero(numpy.ravel(x)<=position)[0]) height = numpy.ravel(y - z)[n] #area = ((height * fwhm/2.3548)*sqrt(2*3.14159))/fmax area = ((height * fwhm/2.3548)*numpy.sqrt(2*3.14159)) newpar[i+NGLOBAL] = area/fmax #print PARAMETERS[i+NGLOBAL], "index = ", i + NGLOBAL #print "Starting area = ", area/fmax #print "alternative = ", area else: #none of the escape peaks falls into the fitting region newpar[i+NGLOBAL] = 0.0 codes[0,i+NGLOBAL]= Gefit.CFIXED else: #import time #e0 = time.time() if self.linearMatrix is None: self.__oldLinearFixed = [] for i in range(len(PARAMETERS)-NGLOBAL): positions = (self.PEAKS0[i][:,1] - zero)/gain i1 = numpy.nonzero((positions >= x[0]) & (positions <= x[-1]))[0] inpeaks = numpy.take(self.PEAKS0[i],i1,axis=0) if len(inpeaks): continue elif not self.config['fit']['escapeflag']: #peaks outside fitting region #force zero area newpar[i+NGLOBAL] = 0.0 codes[0,i+NGLOBAL]= Gefit.CFIXED self.__oldLinearFixed.append(i) continue #peaks outside fitting region #prior to force them to zero area, let's #check if their escape peaks fall into the #fitting region #get the number of escape lines to get a proper buffer rates = self.PEAKS0[i][:,0] n_escape_lines = self.PEAKSW[i].shape[0] - len(rates) peak_buffer = numpy.zeros((n_escape_lines, 3)).astype(numpy.float) ii=0 jj=0 for esc_group in self.PEAKS0ESCAPE[i]: for esc_line in esc_group: esc_ene = esc_line[0] * 1.0 esc_rate = esc_line[1] peak_buffer[jj,0] = self.PEAKS0[i][ii,0] * esc_rate peak_buffer[jj,1] = esc_ene jj = jj + 1 ii = ii + 1 peak_buffer[:, 2] = numpy.sqrt(noise + \ (peak_buffer[:,1]>0) * peak_buffer[:,1] * \ fano) rates = peak_buffer[:,0] positions = (peak_buffer[:,1] - zero)/gain i1 = numpy.nonzero((positions >= x[0]) & (positions <= x[-1]))[0] inpeaks = numpy.take(peak_buffer,i1, axis=0) if len(inpeaks): continue else: newpar[i+NGLOBAL] = 0.0 codes[0,i+NGLOBAL]= Gefit.CFIXED self.__oldLinearFixed.append(i) else: for i in self.__oldLinearFixed: newpar[i+NGLOBAL] = 0.0 codes[0,i+NGLOBAL]= Gefit.CFIXED #print "Elapsed = ",time.time() - e0 if self._batchFlag and self.linearMatrix is None: self.linearMatrix = self.getPeakMatrixContribution(newpar) return newpar, codes def startfit(self,digest=0, linear=None, currentIteration=None): if self.__toBeConfigured: self.estimate() if linear is None: linear = self.config['fit'].get("linearfitflag", 0) if linear and self._batchFlag and (self.linearMatrix is not None): fitresult = Gefit.LeastSquaresFit(self.linearMcaTheory, self.parameters, self.datatofit, constrains=self.codes, weightflag=self.config['fit']['fitweight'], maxiter=self.MAXITER, model_deriv=self.linearMcaTheoryDerivative, deltachi=self.config['fit']['deltachi'], fulloutput=1, linear=linear) if self.__SUM: #This is a patch but the alternative is #to forbid linear fits with pile-up. self.parameters = fitresult[0] zero = self.parameters[0] gain = self.parameters[1] xw = self.datatofit[:,0] yfitw = self.mcatheory(fitresult[0], xw,summing=0) pileup= self.parameters[4]*SpecfitFuns.pileup(yfitw,int(xw[0]), zero, gain) self.datatofit[:,1] -= pileup fitresult = Gefit.LeastSquaresFit(self.linearMcaTheory, self.parameters, self.datatofit, constrains=self.codes, weightflag=self.config['fit']['fitweight'], maxiter=self.MAXITER, model_deriv=self.linearMcaTheoryDerivative, deltachi=self.config['fit']['deltachi'], fulloutput=1, linear=linear) else: fitresult = Gefit.LeastSquaresFit(self.mcatheory, self.parameters, self.datatofit, constrains=self.codes, weightflag=self.config['fit']['fitweight'], maxiter=self.MAXITER, model_deriv=self.analyticalDerivative, deltachi=self.config['fit']['deltachi'], fulloutput=1, linear=linear) if self.__SUM and linear: #This is a patch but the alternative is #to forbid linear fits with pile-up. self.parameters = fitresult[0] zero = self.parameters[0] gain = self.parameters[1] xw = self.datatofit[:,0] yfitw = self.mcatheory(fitresult[0], xw,summing=0) pileup= self.parameters[4]*SpecfitFuns.pileup(yfitw,int(xw[0]), zero, gain) self.datatofit[:,1] -= pileup fitresult = Gefit.LeastSquaresFit(self.mcatheory, self.parameters, self.datatofit, constrains=self.codes, weightflag=self.config['fit']['fitweight'], maxiter=self.MAXITER, model_deriv=self.analyticalDerivative, deltachi=self.config['fit']['deltachi'], fulloutput=1, linear=linear) self.fittedpar=fitresult[0] self.chisq =fitresult[1] self.sigmapar =fitresult[2] self.__niter =fitresult[3] self.__lastdeltachi = fitresult[4] callStrategy = False if currentIteration is None: if self.config['fit'].get("strategyflag", False): callStrategy = True self.__originalConfiguration = copy.deepcopy(self.config) elif currentIteration > 0: callStrategy = True self.__toBeConfigured = False if callStrategy: # get the strategy to be applied strategyKey = self.config['fit']["strategy"] if strategyKey not in self.strategyInstances: self.strategyInstances[strategyKey] = STRATEGIES[strategyKey]() strategyInstance = self.strategyInstances[strategyKey] # digestresult takes about 0.1 seconds per iteration import time t0 = time.time() newConfig, iteration = strategyInstance.applyStrategy( \ self.digestresult(), self._fluoRates, currentIteration=currentIteration) #print("Strategy elapsed = ", time.time() - t0) if (iteration >= 0) and (len(newConfig.keys())): print("RECONFIGURING") t0 = time.time() self.configure(newConfig) print("RECONFIGURING elapsed = ", time.time() - t0) self.estimate() if digest: fitresult = self.startfit(digest=digest, linear=linear, currentIteration=iteration)[0] else: fitresult = self.startfit(digest=digest, linear=linear, currentIteration=iteration) self.fittedpar=fitresult[0] self.chisq =fitresult[1] self.sigmapar =fitresult[2] self.__niter =fitresult[3] self.__lastdeltachi = fitresult[4] self.digest = digest if digest: digestedResult = self.digestresult() #self.result=self.digestresult() if currentIteration is None: if callStrategy: # restore old configuration with the new materials self.__originalConfiguration["materials"].update(\ self.config["materials"]) self.__toBeConfigured = True return fitresult, digestedResult else: if currentIteration is None: if callStrategy: # restore old configuration with the new materials self.__originalConfiguration["materials"].update(\ self.config["materials"]) self.__toBeConfigured = True return fitresult def imagingDigestResult(self): """ minimalist dictionnary for imaging purposes """ i = 0 result = {} result['groups'] = [] result["chisq"] = self.chisq n= self.NGLOBAL for group in self.PARAMETERS[n:]: # fitatea = self.fittedpar[n + i] sigmaarea = self.sigmapar[n + i] [ele, group0] = group.split() result['groups'].append(group) result[group] = {} result[group]['peaks'] = self.PEAKS0NAMES[i] if self.__HYPERMET: result[group]['fitarea'] = self.fittedpar[n+i] * \ (1.0 + self.fittedpar[self.PARAMETERS.index('ST AreaR')]) else: result[group]['fitarea'] = self.fittedpar[n+i] result[group]['sigmaarea'] = sigmaarea i += 1 return result def digestresult(self,outfile=None, info=None): param = self.fittedpar xw = numpy.ravel(self.xdata) if self.STRIP: yw = numpy.ravel(self.ydata-self.zz) else: yw = numpy.ravel(self.ydata) #print "delta yw actual data = ",numpy.sum(self.datatofit[:,1] - yw) sy = numpy.ravel(self.sigmay) zzw = numpy.ravel(self.zz) zero = param[0] gain = param[1] energyw=zero + gain * xw #print energy yfitw = self.mcatheory(param,xw,summing=0) pileup= param[4]*SpecfitFuns.pileup(yfitw,int(xw[0]), zero, gain) yfitw += pileup # + numpy.ravel(self.zz) #reduced chi square weightw = 1.0 / (sy + numpy.equal(sy,0)) weightw = weightw * weightw nfree_par = numpy.sum(self.codes[0,:] < 3) prechisq = weightw * (yw - yfitw) *(yw - yfitw)/ (len(yw) - nfree_par) #print "CHISQ = ",numpy.sum(prechisq) n = self.NGLOBAL gain = self.fittedpar[self.PARAMETERS.index('Gain')] result={} result['xdata'] = xw result['energy'] = energyw result['ydata'] = numpy.ravel(self.ydata) if self.STRIP: result['yfit'] = yfitw + zzw else: result['yfit'] = yfitw if self.__CONTINUUM: if self.STRIP: result['continuum']= self.continuum(param,xw) + zzw else: result['continuum']= self.continuum(param,xw) * 1.0 elif self.STRIP: result['continuum']= zzw else: result['continuum']= 0.0 * xw result['pileup'] = pileup result['parameters']= self.PARAMETERS #result['parameters']= self.parameters result['fittedpar'] = self.fittedpar result['chisq'] = self.chisq result['sigmapar'] = self.sigmapar result['config'] = {} result['config'].update(self.config) result['config']['fit']['continuum_name']=CONTINUUM_LIST[self.__CONTINUUM] result['groups'] = [] PEAKSW = copy.deepcopy(self.getpeaksw(self.fittedpar)) """ #EVALUATION: if FASTER: a=numpy.concatenate(PEAKSW[:]) #t=time.time() #result = SpecfitFuns.agauss(a,energy) #if HYPERMET: if hypermet: result = SpecfitFuns.fastahypermet(a,energy,hypermet) else: result = SpecfitFuns.fastagauss(a,energy) """ i = 0 for group in self.PARAMETERS[n:]: fitarea = self.fittedpar[n+i] sigmaarea = self.sigmapar[n+i] [ele, group0] = group.split() result['groups'].append(group) result[group] = {} result[group]['peaks'] = self.PEAKS0NAMES[i] if self.__HYPERMET: result[group]['fitarea'] = self.fittedpar[n+i] * \ (1.0 + self.fittedpar[self.PARAMETERS.index('ST AreaR')]) else: result[group]['fitarea'] = self.fittedpar[n+i] result[group]['sigmaarea'] = sigmaarea result[group]['statistics'] = 0 j = 0 p = PEAKSW[i][:,:] if self.__HYPERMET: contrib = SpecfitFuns.fastahypermet(p, energyw,self.__HYPERMET) else: contrib = SpecfitFuns.apvoigt(p, energyw) result["y" + group] = contrib index = [] for peak in result[group]['peaks']: result[group][peak] = {} result[group][peak]['ratio'] = self.PEAKS0[i][j,0] result[group][peak]['energy'] = PEAKSW[i][j,1] result[group][peak]['fwhm'] = PEAKSW[i][j,2] result[group][peak]['statistics']= 0 #detailed parameters peakpos = result[group][peak]['energy'] sigma = result[group][peak]['fwhm']/2.3548 index0 = numpy.nonzero(((peakpos-3*sigma) 0: result[group][peak]['statistics'] = numpy.take(self.ydata, index0).sum() pseudoArea = numpy.take(contrib, index0).sum() result[group]['statistics'] += result[group][peak]['ratio']*\ abs(result[group][peak]['statistics']-pseudoArea) j += 1 result[group]['escapepeaks'] = [] if self.ESCAPE: if OLDESCAPE: result[group]['escapepeaks'] = self.PEAKS0NAMES[i] j = 0 for peak0 in result[group]['peaks']: (r,c) = (self.PEAKS0[i]).shape peak = peak0+"esc" result[group][peak] = {} result[group][peak]['energy'] = PEAKSW[i][j+r,1] result[group][peak]['fwhm'] = PEAKSW[i][j+r,2] result[group][peak]['ratio'] = self.PEAKS0[i][j,3] chisq = 0.0 if result[group][peak]['ratio'] > 0: peakpos = result[group][peak]['energy'] sigma = result[group][peak]['fwhm']/2.3548 index0 = numpy.nonzero(((peakpos-4*sigma) 0: result[group][peak]['statistics'] = numpy.take(self.ydata, index0).sum() pseudoArea = numpy.take(contrib, index0).sum() result[group]['statistics'] += result[group][peak]['ratio']*\ abs(result[group][peak]['statistics']-pseudoArea) j = j + 1 ii=ii+1 #areaenergies.sort() index.sort() #print "areaenergies",areaenergies[0],areaenergies[-1] #index = numpy.nonzero((energyw>=areaenergies[0]) & (energyw <=areaenergies[-1])) energy = numpy.take(energyw ,index) yfit = numpy.take(yfitw ,index) if 0: #this takes into account summing ... buff = self.PEAKS0[i][:,0] * 1.0 self.PEAKS0[i][:,0] = 0.0 yconw = self.mcatheory(self.fittedpar,xw) self.PEAKS0[i][:,0] = buff * 1.0 ycon = numpy.take(yconw ,index) else: #(r,c) = (self.PEAKS0[i]).shape #p = PEAKSW[i][0:r,:] if 0: p = PEAKSW[i][:,:] if self.__HYPERMET: contrib = SpecfitFuns.fastahypermet(p,energy,self.__HYPERMET) else: contrib = SpecfitFuns.apvoigt(p,energy) else: contrib = numpy.take(contrib ,index) ycon = yfit - contrib y = numpy.take(yw ,index) #pmcaarea = numpy.sum(y-(yfit-contrib)) pmcaarea = numpy.sum(y-ycon) result[group]['mcaarea'] = pmcaarea result[group]['statistics'] = max(pmcaarea, result[group]['fitarea']) +\ result[group]['statistics'] #pmcasigmaarea = numpy.sqrt(numpy.sum(numpy.where(y<0, -y, y))) #result[group]['mcasigmaarea'] = pmcasigmaarea i+=1 result['niter'] = self.__niter * 1 result['lastdeltachi'] = self.__lastdeltachi * 1.0 if outfile is not None: try: os.remove(outfile) except: pass if info is not None: d=ConfigDict.ConfigDict({'result':result, 'info':info}) else: d=ConfigDict.ConfigDict({'result':result}) d.write(outfile) return result def getpeaksw(self,param,hypermet=None,continuum=None): if continuum is None: continuum = self.__CONTINUUM if hypermet is None: hypermet = self.__HYPERMET # zero = param[0] gain = param[1] #energy=zero + gain * x #print energy noise= param[2] * param[2] fano = param[3] * 2.3548*2.3548*0.00385 #t=time.time() PEAKS0 = self.PEAKS0 PEAKS0ESCAPE = self.PEAKS0ESCAPE PEAKSW = self.PEAKSW PARAMETERS = self.PARAMETERS for i in range(len(param[self.NGLOBAL:])): if self.ESCAPE: #area = param[NGLOBAL+i] (r,c) = (PEAKS0[i]).shape PEAKSW[i][0:r,0] = PEAKS0[i][:,0] * param[self.NGLOBAL+i] * gain PEAKSW[i][0:r,1] = PEAKS0[i][:,1] * 1.0 PEAKSW[i][0:r,2] = numpy.sqrt(noise + PEAKS0[i][:,1] * fano) #escape if OLDESCAPE: PEAKSW[i][r:,0] = PEAKSW[i][0:r,0] * PEAKS0[i][:,3] PEAKSW[i][r:,1] = PEAKS0[i][:,1] - self.config['detector']['detene'] PEAKSW[i][r:,2] = numpy.sqrt(noise + (PEAKSW[i][r:,1]>0) * PEAKSW[i][r:,1] * fano) else: ii=0 j=0 for esc_group in PEAKS0ESCAPE[i]: for esc_line in esc_group: esc_ene = esc_line[0] * 1.0 esc_rate = esc_line[1] PEAKSW[i][j+r,0] = PEAKSW[i][ii,0] * esc_rate PEAKSW[i][j+r,1] = esc_ene j = j + 1 ii = ii + 1 PEAKSW[i][r:, 2] = numpy.sqrt(noise + \ (PEAKSW[i][r:,1]>0) * PEAKSW[i][r:,1] * fano) #if HYPERMET: if hypermet: PEAKSW[i] [0:r,3] = param[PARAMETERS.index('ST AreaR')] PEAKSW[i] [:,4] = param[PARAMETERS.index('ST SlopeR')] PEAKSW[i] [0:r,5] = param[PARAMETERS.index('LT AreaR')] PEAKSW[i] [:,6] = param[PARAMETERS.index('LT SlopeR')] PEAKSW[i] [0:r,7] = param[PARAMETERS.index('STEP HeightR')] #neglect tails in escape peaks PEAKSW[i] [r:,3] = 0.0 PEAKSW[i] [r:,5] = 0.0 PEAKSW[i] [r:,7] = 0.0 else: # area = param[self.NGLOBAL + i] PEAKSW[i][:,0] = PEAKS0[i][:,0] * param[self.NGLOBAL+i] * gain PEAKSW[i][:,1] = PEAKS0[i][:,1] * 1.0 PEAKSW[i][:,2] = numpy.sqrt(noise + PEAKS0[i][:,1] * fano) if hypermet: PEAKSW[i] [:,3] = param[PARAMETERS.index('ST AreaR')] PEAKSW[i] [:,4] = param[PARAMETERS.index('ST SlopeR')] PEAKSW[i] [:,5] = param[PARAMETERS.index('LT AreaR')] PEAKSW[i] [:,6] = param[PARAMETERS.index('LT SlopeR')] PEAKSW[i] [:,7] = param[PARAMETERS.index('STEP HeightR')] return PEAKSW # UTILITIES # def roifit(self,x, y, background = None, width=None): if width is None: width = 200. if width > 10 : width = width / 1000. xw = numpy.ravel(numpy.array(x)) if background is not None: yw = numpy.ravel(numpy.array(y) - numpy.array(background)) else: yw = numpy.ravel(y) zero = self.config['detector']['zero'] gain = self.config['detector']['gain'] energy = zero + gain * xw ddict={} for group in self.PARAMETERS[self.NGLOBAL:]: ele,shell = group.split() if ele not in Elements.Element.keys(): continue lines = self.__getlines(ele,shell,width) ddict[group] = {} for line in lines: emin = Elements.Element[ele][line]['energy'] - 0.5 * width emax = Elements.Element[ele][line]['energy'] + 0.5 * width i1 = numpy.nonzero((energy >= emin) & (energy <= emax))[0] ddict[group][line + " ROI"] = numpy.sum(numpy.take(yw,i1)) return ddict def __getlines(self, ele, shell, width, threshold = 0.010): rays = shell + " xrays" ratelines = [] linestotreat = [] if rays not in Elements.Element[ele]['rays']:return {} for transition in Elements.Element[ele][rays]: if Elements.Element[ele][transition]['rate'] > threshold: ratelines.append ([Elements.Element[ele][transition]['rate'], transition]) linestotreat.append(transition) #sort according rate ratelines.sort() ratelines.reverse() lines = [] for rate,transition in ratelines: #print " rate, transition, energy = ",rate, transition, Elements.Element[ele][transition]['energy'] if not len(linestotreat):break if transition in linestotreat: linestotreatcopy = linestotreat * 1 for line in linestotreatcopy: if abs(Elements.Element[ele][line]['energy'] - \ Elements.Element[ele][transition]['energy']) < width: del linestotreat[linestotreat.index(line)] lines.append(transition) return lines def smooth(self,ydata,ntimes=1): f=[0.25,0.5,0.25] result=numpy.array(ydata) if len(result > 1): for i in range(ntimes): result[1:-1]=numpy.convolve(result,f,mode=0) result[0]=0.5*(result[0]+result[1]) result[-1]=0.5*(result[-1]+result[-2]) return result def __getmcaareas(self,param=None): #one should calculate Ka and Kb separately to search for errors!!!! #one should calculate the reduced chis square in that area!!! if param is None: param = self.fittedpar xw = numpy.ravel(self.xdata) yw = numpy.ravel(self.ydata) sy = numpy.ravel(self.sigmay) zero = param[0] gain = param[1] energy=zero + gain * xw #print energy noise= param[2] * param[2] fano = param[3] * 2.3548*2.3548*0.00385 areas=[] chisq=[] yfitw = self.mcatheory(param,xw) + numpy.ravel(self.zz) #reduced chi square weightw = 1.0 / (sy + numpy.equal(sy,0)) weightw = weightw * weightw nfree_par = numpy.sum(self.codes[0,:] < 3) #chisqtotal = (numpy.sum((yw - yfitted) * (yw - yfitted) * weight))/(len(yw) - nfree_par) for i in range(len(self.PARAMETERS[self.NGLOBAL:])): j = 0 for peakpos in self.PEAKS0[i][:,1]: sigma = numpy.sqrt(noise + peakpos * fano)/2.3548 index = numpy.nonzero(((peakpos-3*sigma)0.0)[0] n=len(i1) zero = self.config['detector']['zero'] gain = self.config['detector']['gain'] xmean = numpy.sum(x)/len(x) xw=zero+gain*numpy.resize(numpy.take(x,i1)-xmean,(n,1)) zw=numpy.resize(numpy.log(numpy.take(z,i1)),(n,1)) sw=numpy.ones((n,1)) datatofit = numpy.concatenate((xw, zw, sw),1) p=[] for i in range(self.config['fit']['exppolorder']+1): p.append(0.0) fitresult = Gefit.LeastSquaresFit(self.linpol, p, datatofit, #constrains=self.codes, #weightflag=1, maxiter=40, model_deriv=self.linpol_deriv, #deltachi=self.config['fit']['deltachi'], fulloutput=1) fittedpar=fitresult[0] fittedpar[0] = numpy.exp(fittedpar[0]) return fittedpar,numpy.zeros((3,len(fittedpar)),numpy.float) class ClassMcaTheory(McaTheory): pass """ def agauss(param0,t0): param=resize(ravel(array(param0)),(len(param0),3)) t=array(t0) result=t*0.0 for param in param0: sigma=param[2]/2.3548200450309493 dummy=(t-param[1])/sigma result += 0.3989422804014327*(param[0]/sigma) * myexp(-0.5 * dummy * dummy) return result def myexp(x): # put a (bad) filter to avoid over/underflows # with no python looping return exp(x*less(abs(x),250))-1.0*greater_equal(abs(x),250) def expini(nmax): global EXP EXP = exp(-arange(0,nmax,0.01)) def myexp2(x): i = array(map(int,x * 100)) return take(EXP,i) * (1.0 - (x - 0.01 * i)) """ def test(inputfile=None,scankey=None,pkm=None, continuum=0,stripflag=1,maxiter=10,sumflag=1, hypermetflag=1,plotflag=0,escapeflag=1,attenuatorsflag=1,outfile=None): import sys from PyMca5.PyMca import specfilewrapper as specfile mcafit = McaTheory(initdict=None,maxiter=maxiter,sumflag=sumflag, continuum=continuum,escapeflag=escapeflag,stripflag=stripflag,hypermetflag=hypermetflag, attenuatorsflag=attenuatorsflag) initdict=ConfigDict.ConfigDict() initdict.read(pkm) t0=time.time() config = mcafit.configure(initdict) print("configuration time ",time.time()-t0) xmin = config['fit']['xmin'] xmax = config['fit']['xmax'] if inputfile is None: print("USAGE") print("python -m PyMca5.PyMcaPhysics.xrf.ClassMcaTheory.py -s1.1 --file=filename --cfg=cfgfile [--plotflag=1]") #python ClassMcaTheory.py -s2.1 --file=ch09__mca_0005.mca --pkm=TEST.cfg --continuum=0 --stripflag=1 --sumflag=1 --maxiter=4 sys.exit(0) print("assuming is a specfile ...") sf=specfile.Specfile(inputfile) if scankey is None: scan=sf[0] else: scan=sf.select(scankey) mcadata=scan.mca(1) y0= numpy.array(mcadata) x = numpy.arange(len(y0))*1.0 t0=time.time() mcafit.setData(x,y0,xmin=xmin,xmax=xmax) print("set data time",time.time()-t0) mcafit.estimate() print("estimation time ",time.time()-t0) #fitresult, mcafitresult=mcafit.startfit(digest=1) fitresult = mcafit.startfit(digest=0) mcafitresult = mcafit.digestresult(outfile) print("fit took ",time.time()-t0) fittedpar=fitresult[0] chisq =fitresult[1] sigmapar =fitresult[2] i = 0 print("chisq = ",chisq) for param in mcafit.PARAMETERS: if i < mcafit.NGLOBAL: print(param, ' = ',fittedpar[i],' +/- ',sigmapar[i]) else: print(param, ' = ',fittedpar[i],' +/- ',sigmapar[i]) #,'mcaarea = ',areas[i-mcafit.NGLOBAL] i += 1 i = 0 #mcafit.digestresult() for group in mcafitresult['groups']: print(group,mcafitresult[group]['fitarea'],' +/- ', \ mcafitresult[group]['sigmaarea'],mcafitresult[group]['mcaarea']) #print("##################### ROI fitting ######################") #print(mcafit.roifit(mcafit.xdata,mcafit.ydata)) if plotflag: from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaGui import ScanWindow app = qt.QApplication(sys.argv) graph = ScanWindow.ScanWindow() xw = numpy.ravel(mcafit.xdata) yfit0 = mcafit.mcatheory(fittedpar,xw)+numpy.ravel(mcafit.zz) xw = xw*fittedpar[1]+fittedpar[0] graph.addCurve(mcafitresult['energy'],mcafitresult['ydata'], "Input Data") graph.addCurve(mcafitresult['energy'],mcafitresult['yfit'],"Fitted Data") graph.addCurve(mcafitresult['energy'], mcafitresult['continuum']+mcafitresult['pileup'], "Summing") graph.addCurve(mcafitresult['energy'],mcafitresult['continuum'],"Continuum") graph.show() app.exec_() PROFILING = 0 if __name__ == "__main__": import time t0=time.time() if PROFILING: import profile import pstats profile.run('test()',"test") p=pstats.Stats("test") p.strip_dirs().sort_stats(-1).print_stats() else: import getopt if 1: #try: options = 'f:s:o' longoptions = ['file=','scan=','pkm=','cfg=', 'output=','continuum=','stripflag=', 'maxiter=','sumflag=','escapeflag=','hypermetflag=','plotflag=', 'attenuatorsflag=','outfile='] opts, args = getopt.getopt( sys.argv[1:], options, longoptions) inputfile = None outfile = None scan = None pkm = None maxiter = 100 sumflag = 0 hypermetflag = 1 plotflag = 0 stripflag = 1 escapeflag= 1 continuum = 0 attenuatorsflag = 1 for opt,arg in opts: if opt in ('-f','--file'): inputfile = arg if opt in ('-s','--scan'): scan = arg if opt in ('--pkm','--cfg'): pkm = arg if opt in ('--continuum'): continuum = int(float(arg)) if opt in ('--strip'): strip = int(float(arg)) if opt in ('--maxiter'): maxiter = int(float(arg)) if opt in ('--sumflag'): sumflag = int(float(arg)) if opt in ('--escapeflag'): escapeflag = int(float(arg)) if opt in ('--stripflag'): stripflag = int(float(arg)) if opt in ('--plotflag'): plotflag = int(float(arg)) if opt in ('--hypermetflag'): hypermetflag = int(float(arg)) if opt in ('--attenuatorsflag'): attenuatorsflag = int(float(arg)) if opt in ('--outfile'): outfile = arg test(inputfile=inputfile,scankey=scan,pkm=pkm, maxiter=maxiter,continuum=continuum,stripflag=stripflag,sumflag=sumflag, hypermetflag=hypermetflag,escapeflag=escapeflag,plotflag=plotflag, attenuatorsflag=attenuatorsflag,outfile=outfile) print("TIME = ",time.time()-t0) PyMca5-5.2.2/PyMca5/PyMcaPhysics/xrf/Strategies.py0000644000276300001750000000333513136054446021672 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" from . import SingleLayerStrategy # for the time being only one strategy STRATEGIES = {"SingleLayerStrategy":SingleLayerStrategy.SingleLayerStrategy} PyMca5-5.2.2/PyMca5/PyMcaPhysics/xrf/CoherentScattering.py0000644000276300001750000000765013136054446023357 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import os import numpy from PyMca5.PyMcaIO import ConfigDict from PyMca5 import PyMcaDataDir dirmod = PyMcaDataDir.PYMCA_DATA_DIR ffile = os.path.join(dirmod, "attdata") ffile = os.path.join(ffile, "atomsf.dict") if not os.path.exists(ffile): #freeze does bad things with the path ... dirmod = os.path.dirname(dirmod) ffile = os.path.join(dirmod, "attdata") ffile = os.path.join(ffile, "atomsf.dict") if not os.path.exists(ffile): if dirmod.lower().endswith(".zip"): dirmod = os.path.dirname(dirmod) ffile = os.path.join(dirmod, "attdata") ffile = os.path.join(ffile, "atomsf.dict") if not os.path.exists(ffile): print("Cannot find file ", ffile) raise IOError("Cannot find file %s" % ffile) COEFFICIENTS = ConfigDict.ConfigDict() COEFFICIENTS.read(ffile) KEVTOANG = 12.39852000 R0 = 2.82E-13 #electron radius in cm def getElementFormFactor(ele, theta, energy): """ Usage: getFormFactor(ele,theta, energy): ele - Element theta - Scattering angle or array of scattering angles in degrees energy- Photon Energy in keV This routine calculates the atomic form factor in electron units using a four gaussians approximation """ wavelength = KEVTOANG / energy x = numpy.sin(theta*(numpy.pi/360.0)) / wavelength x = x * x c0= COEFFICIENTS[ele]['c'][0] c = COEFFICIENTS[ele]['c'][1:] b = COEFFICIENTS[ele]['b'] return c0 + (c[0] * numpy.exp(-b[0]*x)) + \ (c[1] * numpy.exp(-b[1]*x)) + \ (c[2] * numpy.exp(-b[2]*x)) + \ (c[3] * numpy.exp(-b[3]*x)) def getElementCoherentDifferentialCrossSection(ele, theta, energy, p1=None): if p1 is None: p1=0.0 if (p1 > 1.0) or (p1 < -1): raise ValueError(\ "Invalid degree of linear polarization respect to the scattering plane") thetasin2 = pow(numpy.sin(theta*numpy.pi/180.0),2) return (1.0+ 0.5 *(p1-1.0) * thetasin2) * \ pow(R0*getElementFormFactor(ele, theta, energy),2) if __name__ == "__main__": import sys if len(sys.argv) > 3: ele = sys.argv[1] theta = float(sys.argv[2]) energy= float(sys.argv[3]) print(getElementFormFactor(ele, theta, energy)) else: print("Usage:") print("python CoherentScattering.py Element Theta(deg) Energy(kev)") PyMca5-5.2.2/PyMca5/PyMcaPhysics/xrf/IncoherentScattering.py0000644000276300001750000001423413136054446023702 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import os import numpy from PyMca5.PyMcaIO import ConfigDict from PyMca5 import PyMcaDataDir ElementList= ['H','He','Li','Be','B','C','N','O','F','Ne', 'Na','Mg','Al','Si','P','S','Cl','Ar','K','Ca','Sc','Ti','V','Cr','Mn','Fe','Co','Ni','Cu','Zn', 'Ga','Ge','As','Se','Br','Kr', 'Rb','Sr','Y','Zr','Nb','Mo','Tc','Ru','Rh','Pd','Ag','Cd', 'In','Sn','Sb','Te','I','Xe','Cs','Ba','La','Ce','Pr','Nd', 'Pm','Sm','Eu','Gd','Tb','Dy','Ho','Er','Tm','Yb','Lu','Hf', 'Ta','W','Re','Os','Ir','Pt','Au','Hg','Tl','Pb','Bi','Po','At', 'Rn','Fr','Ra','Ac','Th','Pa','U','Np','Pu','Am','Cm','Bk','Cf', 'Es','Fm','Md','No','Lr','Rf','Db','Sg','Bh','Hs','Mt'] dirmod = PyMcaDataDir.PYMCA_DATA_DIR ffile = os.path.join(dirmod,"attdata") ffile = os.path.join(ffile,"incoh.dict") if not os.path.exists(ffile): #freeze does bad things with the path ... dirmod = os.path.dirname(dirmod) ffile = os.path.join(dirmod, "attdata") ffile = os.path.join(ffile, "incoh.dict") if not os.path.exists(ffile): if dirmod.lower().endswith(".zip"): dirmod = os.path.dirname(dirmod) ffile = os.path.join(dirmod,"attdata") ffile = os.path.join(ffile, "incoh.dict") if not os.path.exists(ffile): print("Cannot find file ", ffile) raise IOError("Cannot find file %s" % ffile) COEFFICIENTS = ConfigDict.ConfigDict() COEFFICIENTS.read(ffile) xvalues = COEFFICIENTS['ISCADT']['XSVAL'] svalues = numpy.reshape(COEFFICIENTS['ISCADT']['SCATF'], (100, len(xvalues))) #svalues = COEFFICIENTS['ISCADT']['SCATF'] #print svalues[100:110] KEVTOANG = 12.39852000 R0 = 2.82E-13 #electron radius in cm def getZ(ele): if ele in ElementList: return float(ElementList.index(ele)+1) else: return None def getElementComptonFormFactor(ele, theta, energy): return getElementIncoherentScatteringFunction(ele, theta, energy) def getComptonScatteringEnergy(energy, theta): return energy/(1.0 + \ (energy/511.) * (1 - numpy.cos(theta*(numpy.pi / 180.0)))) def getElementIncoherentScatteringFunction(ele, theta, energy): """ Usage: getIncoherentScatteringFunction(ele,theta, energy): ele - Element theta - Scattering angle in degrees energy- Photon Energy in keV This routine calculates the incoherent scattering function in electron units an interpolation to EGS4 tabulation of S(x,Z)/Z """ if ele in ElementList: z = getZ(ele) else: z = float(ele) wavelength = KEVTOANG / energy sinhalftheta = numpy.sin(theta * (numpy.pi / 360.0)) #Hubbel just give this term x = sinhalftheta / wavelength #print "x old = ",x e = energy/511.0 #Fajardo uses: x = x * numpy.sqrt(1.0 + e* (e+2.0)* pow(sinhalftheta, 2))/ \ (1.0 + 2.0 * e * pow(sinhalftheta, 2)) #print "x new = ",x ilow = 0 ihigh = 44 i = 22 while (ihigh - ilow) > 1: if x < xvalues[i]:ihigh = i else:ilow =i i = int((ihigh+ilow)/2) if z > 100: if ihigh == ilow: value = svalues[int(99),ilow] else: A = (x - xvalues[ilow])/(xvalues[ihigh]-xvalues[ilow]) value = ((1.0 - A ) * svalues[int(99),ilow] + \ A * svalues[int(99),ihigh]) value = value * (z/100.) else: if ihigh == ilow: value = svalues[int(z-1),ilow] else: A = (x - xvalues[ilow])/(xvalues[ihigh]-xvalues[ilow]) value = ((1.0 - A ) * svalues[int(z-1),ilow] + \ A * svalues[int(z-1),ihigh]) return value def getElementComptonDifferentialCrossSection(ele, theta, energy, p1=None): if p1 is None:p1=0.0 if (p1 > 1.0) or (p1 < -1): raise ValueError(\ "Invalid degree of linear polarization respect to the scattering plane") thetasin2 = pow(numpy.sin(theta * numpy.pi / 180.0), 2) thetacos = numpy.cos(theta * numpy.pi/180.0) e = energy/(1.0 + (energy/511.) * (1.0 - thetacos)) return 0.5 * ((e/energy) + (energy/e) + (p1-1.0) * thetasin2) * \ pow(R0*(e/energy)*getElementIncoherentScatteringFunction(ele, theta, energy),2) getElementIncoherentDifferentialCrossSection=\ getElementComptonDifferentialCrossSection if __name__ == "__main__": import sys if len(sys.argv) > 3: ele = sys.argv[1] theta = float(sys.argv[2]) energy= float(sys.argv[3]) print(getElementComptonFormFactor(ele, theta, energy)) else: print("Usage:") print("python IncoherentScatteringFunction.py Element Theta(deg) Energy(kev)") PyMca5-5.2.2/PyMca5/PyMcaPhysics/xrf/XRFMC/0000755000276300001750000000000013205526235020056 5ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/PyMcaPhysics/xrf/XRFMC/XRFMCHelper.py0000644000276300001750000003656613136054446022472 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2016 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os import tempfile import subprocess import time import shutil from PyMca5.PyMcaIO import ConfigDict from . import XMSOParser getXMSOFileFluorescenceInformation =\ XMSOParser.getXMSOFileFluorescenceInformation XMIMSIM_PYMCA = None if sys.platform == "win32": try: # try to get the installation directory from the registry if sys.version < '3.0': import _winreg as winreg else: import winreg HKLM = winreg.ConnectRegistry(None, winreg.HKEY_LOCAL_MACHINE) try: # 32 bit softwareKey = winreg.OpenKey(winreg.HKEY_LOCAL_MACHINE, "Software\XMI-MSIM") except: try: # 64 bit softwareKey = winreg.OpenKey(winreg.HKEY_LOCAL_MACHINE, "Software\Wow6432Node\XMI-MSIM") except: # XMI-MSIM not installed ... softwareKey = None if softwareKey is not None: subKeyName = "InstallationDirectory" value = winreg.QueryValueEx(softwareKey, subKeyName) pathToExecutable = os.path.join(value[0], "bin", "xmimsim-pymca.exe") if not os.path.exists(pathToExecutable): pathToExecutable = None XMIMSIM_PYMCA = pathToExecutable except: # this cannot afford failing pass else: try: testDirectories = ["/Applications", "/usr/local/bin", "/usr/bin", os.getcwd()] #look in the user PATH path = os.getenv('PATH') if path is not None: testDirectories += path.split(":") scriptName = "xmimsim-pymca" if sys.platform == "darwin": scriptName = os.path.join("XMI-MSIM.app", "Contents", "Resources", scriptName) for dirName in testDirectories: pathToExecutable = os.path.join(dirName, scriptName) if not os.path.exists(pathToExecutable): pathToExecutable = None else: break XMIMSIM_PYMCA = pathToExecutable except: # this cannot afford failing pass def getScriptFile(pathToExecutable=None, args=None, name=None): if pathToExecutable is None: pathToExecutable = XMIMSIM_PYMCA if pathToExecutable is None: raise ValueError("Path to xmimsim-pymca needed") if not os.path.exists(pathToExecutable): raise IOError("xmimsim-pymca executable does not exist") if args is None: args = [] executable = os.path.basename(pathToExecutable) if not executable.startswith("xmimsim-pymca"): if sys.platform == "win32": raise ValueError("Path to xmimsim-pymca.exe needed") else: raise ValueError("Path to xmimsim-pymca needed") xmimsim_directory = os.path.dirname(pathToExecutable) if os.path.basename(xmimsim_directory).lower() == "bin": xmimsim_directory = os.path.dirname(xmimsim_directory) if sys.platform == "win32": binDir = os.path.join(xmimsim_directory, "bin") libDir = os.path.join(xmimsim_directory, "lib") gtk2Dir = os.path.join(xmimsim_directory, "GTK2") path = os.getenv("PATH") txt = "echo off\n" txt += "set PATH=%s;%s;%s;%s\n" % (binDir, libDir, gtk2Dir, os.getenv("PATH")) txt += "%s " % executable if len(args): for arg in args: txt += arg + " "; txt += "\n" else: txt += "%*" if name is None: handle, fullPath = tempfile.mkstemp(suffix=".bat", prefix="pymca", text=False) os.write(handle, txt) os.close(handle) else: fullPath = name if not fullPath.endswith(".bat"): fullPath = name + ".bat" if sys.version < '3.0': f = open(fullPath, "wb") else: f = open(fullPath, "w", newline='') f.write(txt) f.close() elif sys.platform == "darwin": #the bundle has everything needed txt = "#!/bin/bash\n" #this line is critical in order to avoid interference by the bundled PyMca txt += 'DYLD_LIBRARY_PATH=""\n' txt += "%s " % pathToExecutable if len(args): for arg in args: txt += arg + " "; txt += "\n" else: txt += "$*" if name is None: handle, fullPath = tempfile.mkstemp(suffix=".sh", prefix="pymca", text=False) os.write(handle, txt) os.close(handle) else: fullPath = name if not fullPath.endswith(".sh"): fullPath = name + ".sh" f = open(fullPath, "wb") f.write(txt) f.close() os.system("chmod +x %s" % fullPath) else: binDir = xmimsim_directory libDir = os.path.join(xmimsim_directory, "lib") path = os.getenv("PATH") txt = "#!/bin/bash\n" txt += "export PATH=%s:%s:%s\n" % (binDir, libDir, os.getenv("PATH")) txt += "%s " % executable if len(args): for arg in args: txt += arg + " "; txt += "\n" else: txt += "$*" if name is None: handle, fullPath = tempfile.mkstemp(suffix=".sh", prefix="pymca", text=False) os.write(handle, txt) os.close(handle) else: fullPath = name if not fullPath.endswith(".sh"): fullPath = name + ".sh" f = open(fullPath, "wb") f.write(txt) f.close() os.system("chmod +x %s" % fullPath) return fullPath def getOutputFileNames(fitFile, outputDir=None): if outputDir is None: outputDir = os.path.dirname(fitFile) ddict = {} newFile = os.path.join(outputDir, os.path.basename(fitFile)) if newFile.lower().endswith(".fit"): rootName = newFile[:-4] elif newFile.lower().endswith(".cfg"): rootName = newFile[:-4] else: rootName = newFile scriptName = rootName + "_script" csvName = rootName + ".csv" speName = rootName + ".spe" xmsoName = rootName + ".xmso" if sys.platform == 'win32': scriptName = scriptName + ".bat" fitName = rootName + ".fit" ddict={} ddict['fit'] = rootName + ".fit" ddict['script'] = scriptName ddict['csv'] = csvName ddict['spe'] = speName ddict['xmso'] = xmsoName return ddict def getXRFMCCorrectionFactors(fitConfiguration, xmimsim_pymca=None, verbose=False): outputDir=tempfile.mkdtemp(prefix="pymcaTmp") if 'result' in fitConfiguration: # we have to create a .fit file with the information ddict = ConfigDict.ConfigDict() ddict.update(fitConfiguration) else: # for the time being we have to build a "fit-like" file with the information import numpy from PyMca5.PyMca import ClassMcaTheory fitConfiguration['fit']['linearfitflag']=1 fitConfiguration['fit']['stripflag']=0 fitConfiguration['fit']['stripiterations']=0 xmin = fitConfiguration['fit']['xmin'] xmax = fitConfiguration['fit']['xmax'] #xdata = numpy.arange(xmin, xmax + 1) * 1.0 xdata = numpy.arange(0, xmax + 1) * 1.0 ydata = 0.0 + 0.1 * xdata mcaFit = ClassMcaTheory.McaTheory() mcaFit.configure(fitConfiguration) #a dummy time dummyTime = 1.0 if "concentrations" in fitConfiguration: dummyTime = fitConfiguration["concentrations"].get("time", dummyTime) mcaFit.setData(x=xdata, y=ydata, xmin=xmin, xmax=xmax, time=dummyTime) mcaFit.estimate() fitresult, result = mcaFit.startfit(digest=1) ddict=ConfigDict.ConfigDict() ddict['result'] = result ddict['xrfmc'] = fitConfiguration['xrfmc'] handle, fitFile = tempfile.mkstemp(suffix=".fit", prefix="pymca", dir=outputDir, text=False) os.close(handle) ddict.write(fitFile) ddict = None # we have the input file ready fileNamesDict = getOutputFileNames(fitFile, outputDir) scriptFile = getScriptFile(pathToExecutable=xmimsim_pymca, name=fileNamesDict['script']) xmsoName = fileNamesDict['xmso'] # basic parameters args = [scriptFile, "--enable-single-run", #"--set-threads=2", #"--verbose", #"--spe-file=%s" % speName, #"--csv-file=%s" % csvName, #"--enable-roi-normalization", #"--disable-roi-normalization", #default #"--enable-pile-up" #"--disable-pile-up" #default #"--enable-poisson", #"--disable-poisson", #default no noise #"--set-threads=2", #overwrite default maximum fitFile, xmsoName] if verbose: args.insert(2, "--verbose") process = subprocess.Popen(args, bufsize=0, stdout=subprocess.PIPE, stderr=subprocess.PIPE, universal_newlines=True) while process.poll() is None: # process did not finish yet time.sleep(0.1) line = process.stdout.readline() if verbose: if len(line) > 1: print("OUTPUT = <%s>" % line[:-1]) returnCode = process.returncode line = process.stdout.readline() while len(line) > 1: if verbose: print("OUTPUT = %s" % line[:-1]) line = process.stdout.readline() if returnCode: text = "" line = process.stderr.readline() while len(line) > 1: text += line if verbose: print("ERROR = %s" % line[:-1]) line = process.stderr.readline() removeDirectory(outputDir) raise IOError("Program terminated with error code %d:\n%s" % (returnCode, text)) corrections = getXMSOFileFluorescenceInformation(xmsoName) xmsoName = None removeDirectory(outputDir) return corrections def removeDirectory(dirName): if os.path.exists(dirName): if os.path.isdir(dirName): shutil.rmtree(dirName) def start(fitFile, outputDir, xmimsim_pymca, parameters=None, verbose=True): args = XRFMCHelper.getBasicSubprocessCommand(fitFile, outputDir, xmimsim_pymca) if parameters is None: parameters = ["--enable-single-run", "--set-threads=2"] i = 0 for parameter in parameters: i += 1 args.insert(1, parameter) process = subprocess.Popen(args, bufsize=0, stdout=subprocess.PIPE, stderr=subprocess.PIPE, universal_newlines=True) while process.poll() is None: # process did not finish yet time.sleep(0.1) line = process.stdout.readline() if verbose: if len(line) > 1: print("OUTPUT = <%s>" % line[:-1]) returnCode = process.returncode line = process.stdout.readline() while len(line) > 1: if verbose: print("OUTPUT = %s" % line[:-1]) line = process.stdout.readline() if returnCode: text = "" line = process.stderr.readline() while len(line) > 1: text += line if verbose: print("ERROR = %s" % line[:-1]) line = process.stderr.readline() raise IOError("Program terminated with error code %d:\n%s" % (returnCode, text)) def getBasicSubprocessCommand(fitFile, outputDir=None, xmimsim_pymca=None): ddict = getOutputFileNames(fitFile, outputDir) scriptFile = getScriptFile(pathToExecutable=xmimsim_pymca, name=ddict['script']) if ddict['fit'] != fitFile: if outputDir is None: # this should never happen raise ValueError("Inconsistent internal behaviour!") # recreate input in output directory new = ConfigDict.ConfigDict() new.read(fitFile) if os.path.exists(ddict['fit']): os.remove(ddict['fit']) new.write(ddict['fit']) new = None speName = ddict['spe'] csvName = ddict['csv'] newFitFile = ddict['fit'] xmsoName = ddict['xmsoName'] args = [scriptFile, #"--enable-single-run", "--verbose", "--spe-file=%s" % speName, "--csv-file=%s" % csvName, #"--enable-roi-normalization", #"--disable-roi-normalization", #default #"--enable-pile-up" #"--disable-pile-up" #default #"--enable-poisson", #"--disable-poisson", #default no noise #"--set-threads=2", #overwrite default maximum newFitFile, xmsoName] return args def test(filename): fitConfig = ConfigDict.ConfigDict() fitConfig.read(filename) ddict = getXRFMCCorrectionFactors(fitConfig, verbose=True) fitConfig = None for element in ddict: for line in ddict[element]: if line == "z": #atomic number continue if line in ['K', 'Ka', 'Kb', 'L', 'L1', 'L2', 'L3', 'M']: correction1 = ddict[element][line]['correction_factor'][1] correctionn = ddict[element][line]['correction_factor'][-1] print("Element %s Line %s Correction 2 = %f Correction n = %f" %\ (element, line,correction1, correctionn)) if __name__ == "__main__": if len(sys.argv) > 1: test(sys.argv[1]) else: print("Usage:") print("python XRFMCHelper.py path_to_cfg_or_fit_file") PyMca5-5.2.2/PyMca5/PyMcaPhysics/xrf/XRFMC/XMSOParser.py0000644000276300001750000001344113136054446022401 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os import xml.etree.ElementTree as ElementTree DEBUG = 0 def getXMSOFileFluorescenceInformation(xmsoFile): f = ElementTree.parse(xmsoFile) ddict = {} root = f.getroot() transitions = ['K', 'Ka', 'Kb', 'L', 'L1', 'L2', 'L3', 'M'] for i in root.iter('fluorescence_line_counts'): if DEBUG: print(i.attrib) for key in ['symbol', 'total_counts']: print(key, '= ', i.get(key)) element = i.get('symbol') ddict[element] = {} #ddict[element]['z'] = i.get('atomic_number') for key in transitions: ddict[element][key] = { 'total':0.0, 'counts': [], 'correction_factor':[]} for a in i.iter('fluorescence_line'): if DEBUG: print(a.attrib) for key in ['type', 'total_counts']: print(key, '= ', a.get(key)) line = a.get('type') ddict[element][line] = {} #ddict[element][line]['total'] = float(a.get('total_counts')) ddict[element][line]['counts'] = [] ddict[element][line]['total']=0 transitionsAffected = [] for key in transitions: if line.startswith(key): transitionsAffected.append(key) elif line.startswith('KL') and (key == 'Ka'): transitionsAffected.append(key) elif line.startswith('K') and (key == 'Kb'): if not line.startswith('KL'): transitionsAffected.append(key) cumulator = 0 for b in a.iter('counts'): if DEBUG: print(b.attrib) value = float(b.text) ddict[element][line]['counts'].append(value) cumulator += value ddict[element][line]['total'] = cumulator single = ddict[element][line]['counts'][0] multiple = 0.0 ddict[element][line]['correction_factor'] = [] excitationCounter = 0 for value in ddict[element][line]['counts']: multiple += value ddict[element][line]['correction_factor'].append(\ multiple/single) for key in transitionsAffected: nValues = len(ddict[element][line]['counts']) while(len(ddict[element][key]['counts']) < nValues): ddict[element][key]['counts'].append(0.0) ddict[element][key]['counts'][excitationCounter] += value excitationCounter += 1 ddict[element][key]['correction_factor'] = [] for key in transitions: multiple = 0.0 if len(ddict[element][key]['counts']) == 0: nValues = len(ddict[element][line]['counts']) ddict[element][key]['counts'] = [0.0] * nValues ddict[element][key]['correction_factor'] = [1.0] * nValues else: single = ddict[element][key]['counts'][0] for value in ddict[element][key]['counts']: multiple += value ddict[element][key]['correction_factor'].append(\ multiple/single) ddict[element][key]['total'] = multiple return ddict def test(xmsoFile='t.xmso'): ddict = getXMSOFileFluorescenceInformation(xmsoFile) for element in ddict: for line in ddict[element]: if line == "z": #atomic number continue if 1 or DEBUG or line in ['K', 'Ka', 'Kb', 'L', 'L1', 'L2', 'L3', 'M']: correction1 = ddict[element][line]['correction_factor'][1] correctionn = ddict[element][line]['correction_factor'][-1] print("Element %s Line %s Correction 2 = %f Correction n = %f" %\ (element, line,correction1, correctionn)) if __name__ == "__main__": if len(sys.argv) < 2: if os.path.exists('t.xmso'): test() else: print("Usage:") print("python XMSOParser.py xmso_file") sys.exit(0) else: test(sys.argv[1]) PyMca5-5.2.2/PyMca5/PyMcaPhysics/xrf/XRFMC/__init__.py0000644000276300001750000000000013136054446022160 0ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/PyMcaPhysics/xrf/FisxHelper.py0000644000276300001750000010527413173367502021637 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2017 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import os import sys import time from fisx import DataDir from fisx import Elements as FisxElements from fisx import Material from fisx import Detector from fisx import XRF xcom = None DEBUG = 0 def getElementsInstance(dataDir=None, bindingEnergies=None, xcomFile=None): if dataDir is None: dataDir = DataDir.FISX_DATA_DIR try: from PyMca5.PyMcaDataDir import PYMCA_DATA_DIR as pymcaDataDir from PyMca5 import getDataFile except: print("Using fisx shell constants and ratios") pymcaDataDir = None if bindingEnergies is None: if pymcaDataDir is None: bindingEnergies = os.path.join(dataDir, "BindingEnergies.dat") else: bindingEnergies = getDataFile("BindingEnergies.dat") if xcomFile is None: if pymcaDataDir is None: xcomFile = os.path.join(dataDir, "XCOM_CrossSections.dat") else: xcomFile = getDataFile("XCOM_CrossSections.dat") if DEBUG: t0 = time.time() instance = FisxElements(dataDir, bindingEnergies, xcomFile) if DEBUG: print("Shell constants") # the files should be taken from PyMca to make sure the same data are used for key in ["K", "L", "M"]: fname = instance.getShellConstantsFile(key) if sys.version > '3.0': # we have to make sure we have got a string if hasattr(fname, "decode"): fname = fname.decode("latin-1") if DEBUG: print("Before %s" % fname) if pymcaDataDir is not None: fname = getDataFile(key + "ShellConstants.dat") else: fname = os.path.join(os.path.dirname(fname), key + "ShellConstants.dat") instance.setShellConstantsFile(key, fname) if DEBUG: print("After %s" % instance.getShellConstantsFile(key)) if DEBUG: print("Radiative transitions") for key in ["K", "L", "M"]: fname = instance.getShellRadiativeTransitionsFile(key) if sys.version > '3.0': # we have to make sure we have got a string ... if hasattr(fname, "decode"): fname = fname.decode("latin-1") if DEBUG: print("Before %s" % fname) if pymcaDataDir is not None: fname = getDataFile(key + "ShellRates.dat") else: fname = os.path.join(os.path.dirname(fname), key + "ShellRates.dat") instance.setShellRadiativeTransitionsFile(key, fname) if DEBUG: print("After %s " % instance.getShellRadiativeTransitionsFile(key)) if DEBUG: print("Reading Elapsed = ", time.time() - t0) return instance def getMultilayerFluorescence(multilayerSample, energyList, layerList = None, weightList=None, flagList = None, fulloutput = None, beamFilters = None, elementsList = None, attenuatorList = None, alphaIn = None, alphaOut = None, cascade = None, detector= None, elementsFromMatrix=False, secondary=None, materials=None, secondaryCalculationLimit=None): if secondary is None: secondary=0 if secondaryCalculationLimit is None: secondaryCalculationLimit=0.0 if DEBUG: print("Library actually using secondary = ", secondary) print("Library using secondary limit = ", secondaryCalculationLimit) global xcom if xcom is None: if DEBUG: print("Getting fisx elements instance") xcom = getElementsInstance() if materials is not None: if DEBUG: print("Deleting materials") xcom.removeMaterials() for material in materials: if DEBUG: print("Adding material making sure no duplicates") xcom.addMaterial(material, errorOnReplace=1) # the instance if DEBUG: print("creating XRF instance") xrf = XRF() # the beam energies if not len(energyList): raise ValueError("Empty list of beam energies!!!") if DEBUG: print("setting beam") xrf.setBeam(energyList, weights=weightList, characteristic=flagList) # the beam filters (if any) if beamFilters is None: beamFilters = [] """ Due to wrapping constraints, the filter list must have the form: [[Material name or formula0, density0, thickness0, funny factor0], [Material name or formula1, density1, thickness1, funny factor1], ... [Material name or formulan, densityn, thicknessn, funny factorn]] Unless you know what you are doing, the funny factors must be 1.0 """ if DEBUG: print("setting beamFilters") xrf.setBeamFilters(beamFilters) # the sample description """ Due to wrapping constraints, the list must have the form: [[Material name or formula0, density0, thickness0, funny factor0], [Material name or formula1, density1, thickness1, funny factor1], ... [Material name or formulan, densityn, thicknessn, funny factorn]] Unless you know what you are doing, the funny factors must be 1.0 """ if DEBUG: print("setting sample") xrf.setSample(multilayerSample) # the attenuators if attenuatorList is not None: if len(attenuatorList) > 0: if DEBUG: print("setting attenuators") xrf.setAttenuators(attenuatorList) # the geometry if DEBUG: print("setting Geometry") if alphaIn is None: alphaIn = 45 if alphaOut is None: alphaOut = 45 xrf.setGeometry(alphaIn, alphaOut) # the detector if DEBUG: print("setting Detector") if detector is not None: # Detector can be a list as [material, density, thickness] # or a Detector instance if isinstance(detector, Detector): detectorInstance = detector elif len(detector) == 3: detectorInstance = Detector(detector[0], density=detector[1], thickness=detector[2]) else: detectorInstance = Detector(detector[0], density=detector[1], thickness=detector[2], funny=detector[3]) else: detectorInstance = Detector("") xrf.setDetector(detectorInstance) if detectorInstance.getActiveArea() > 0.0: useGeometricEfficiency = 1 else: useGeometricEfficiency = 0 if elementsList in [None, []]: raise ValueError("Element list not specified") if len(elementsList): if len(elementsList[0]) == 3: # PyMca can send [atomic number, element, peak] actualElementsList = [x[1] + " " + x[2] for x in elementsList] elif len(elementsList[0]) == 2: actualElementsList = [x[0] + " " + x[1] for x in elementsList] else: actualElementsList = elementsList matrixElementsList = [] for peak in actualElementsList: ele = peak.split()[0] considerIt = False for layer in multilayerSample: composition = xcom.getComposition(layer[0]) if ele in composition: considerIt = True if considerIt: if peak not in matrixElementsList: matrixElementsList.append(peak) if elementsFromMatrix: elementsList = matrixElementsList # enabling the cascade cache gets a (miserable) 15 % speed up if DEBUG: print("Using cascade cache") t0 = time.time() treatedElements = [] emittedLines = [] for layer in multilayerSample: composition = xcom.getComposition(layer[0]) for element in composition.keys(): xcom.setElementCascadeCacheEnabled(element, 1) if hasattr(xcom, "updateCache"): if element not in treatedElements: lines = xcom.getEmittedXRayLines(element) sampleEnergies = [lines[key] for key in lines] for e in sampleEnergies: if e not in emittedLines: emittedLines.append(e) treatedElements.append(element) if hasattr(xcom, "updateCache"): if DEBUG: print("Filling atenuation cache") composition = detectorInstance.getComposition(xcom) for element in composition.keys(): xcom.setElementCascadeCacheEnabled(element, 1) if element not in treatedElements: lines = xcom.getEmittedXRayLines(element) sampleEnergies = [lines[key] for key in lines] for e in sampleEnergies: if e not in emittedLines: emittedLines.append(e) treatedElements.append(element) for element in actualElementsList: if element.split()[0] not in treatedElements: treatedElements.append(element.split()[0]) for element in treatedElements: # this limit seems overestimated but still reasonable if xcom.getCacheSize(element) > 5000: print("Clearing cache") xcom.clearCache(element) xcom.updateCache(element, energyList) xcom.updateCache(element, emittedLines) xcom.setCacheEnabled(element, 1) if DEBUG: print("Element %s cache size = %d" % (element, xcom.getCacheSize(element))) for element in actualElementsList: xcom.setElementCascadeCacheEnabled(element.split()[0], 1) if hasattr(xcom, "updateEscapeCache") and \ hasattr(xcom, "setEscapeCacheEnabled"): if detector is not None: for element in actualElementsList: lines = xcom.getEmittedXRayLines(element.split()[0]) lines_energy = [lines[key] for key in lines] for e in lines_energy: if e not in emittedLines: emittedLines.append(e) xcom.setEscapeCacheEnabled(1) xcom.updateEscapeCache(detectorInstance.getComposition(xcom), emittedLines, energyThreshold=detectorInstance.getEscapePeakEnergyThreshold(), \ intensityThreshold=detectorInstance.getEscapePeakIntensityThreshold(), \ nThreshold=detectorInstance.getEscapePeakNThreshold(), \ alphaIn=detectorInstance.getEscapePeakAlphaIn(), thickness=0) # No escape by the back considered yet else: if DEBUG: print("NOT CALLING UPDATE CACHE") if DEBUG: print("C++ elapsed filling cache = ", time.time() - t0) if DEBUG: print("Calling getMultilayerFluorescence") t0 = time.time() expectedFluorescence = xrf.getMultilayerFluorescence(actualElementsList, xcom, secondary=secondary, useGeometricEfficiency=useGeometricEfficiency, useMassFractions=elementsFromMatrix, secondaryCalculationLimit=secondaryCalculationLimit) if DEBUG: print("C++ elapsed TWO = ", time.time() - t0) if not elementsFromMatrix: # If one element was present in one layer and not on others, PyMca only # calculated contributions from the layers in which the element was # present for peakFamily in matrixElementsList: element, family = peakFamily.split()[0:2] key = element + " " + family if key in expectedFluorescence: # those layers where the amount of the material was 0 have # to present no contribution for iLayer in range(len(expectedFluorescence[key])): layerMaterial = multilayerSample[iLayer][0] if element not in xcom.getComposition(layerMaterial): expectedFluorescence[key][iLayer] = {} return expectedFluorescence def _getFisxMaterials(fitConfiguration): """ Given a PyMca fir configuration, return the list of fisx materials to be used by the library for calculation purposes. """ global xcom if xcom is None: xcom = getElementsInstance() # define all the needed materials inputMaterialDict = fitConfiguration.get("materials", {}) inputMaterialList = list(inputMaterialDict.keys()) nMaterials = len(inputMaterialList) fisxMaterials = [] processedMaterialList = [] nIter = 10000 while (len(processedMaterialList) != nMaterials) and (nIter > 0): nIter -= 1 for i in range(nMaterials): materialName = inputMaterialList[i] if materialName in processedMaterialList: # already defined pass else: thickness = inputMaterialDict[materialName].get("Thickness", 1.0) density = inputMaterialDict[materialName].get("Density", 1.0) comment = inputMaterialDict[materialName].get("Comment", "") if type(comment) in [type([])]: # the user may have put a comma in the comment leading to # misinterpretation of the string as a list if len(comment) == 0: comment = "" elif len(comment) == 1: comment = comment[0] else: actualComment = comment[0] for commentPiece in comment[1:]: actualComment = actualComment + "," + commentPiece comment = actualComment if not len(comment): comment = "" compoundList = inputMaterialDict[materialName]["CompoundList"] fractionList = inputMaterialDict[materialName]["CompoundFraction"] if not hasattr(fractionList, "__getitem__"): compoundList = [compoundList] fractionList = [fractionList] composition = {} for n in range(len(compoundList)): if fractionList[n] > 0.0: composition[compoundList[n]] = fractionList[n] else: print("ignoring ", compoundList[n], "fraction = ", fractionList[n]) # check the composition is expressed in terms of elements # and not in terms of other undefined materials totallyDefined = True for element in composition: #check if it can be understood if element in processedMaterialList: # already defined continue elif not len(xcom.getComposition(element)): # compound not understood # probably we have a material defined in terms of other material totallyDefined = False if totallyDefined: try: fisxMaterial = Material(materialName, density=density, thickness=thickness, comment=comment) fisxMaterial.setComposition(composition) fisxMaterials.append(fisxMaterial) except: if len(materialName): raise TypeError("Error defining material <%s>" % \ materialName) processedMaterialList.append(materialName) if len(processedMaterialList) < nMaterials: txt = "Undefined materials. " for material in inputMaterialList: if material not in processedMaterialList: txt += "\nCannot define material <%s>\nComposition " % material compoundList = inputMaterialDict[material]["CompoundList"] fractionList = inputMaterialDict[material]["CompoundFraction"] for compound in compoundList: if not len(xcom.getComposition(compound)): if compound not in processedMaterialList: if compound + " " in processedMaterialList: txt += "contains <%s> (defined as <%s>), " % (compound, compound + " ") else: txt += "contains <%s> (undefined)," % compound print(txt) raise KeyError(txt) return fisxMaterials def _getBeam(fitConfiguration): inputEnergy = fitConfiguration['fit'].get('energy', None) if inputEnergy in [None, ""]: raise ValueError("Beam energy has to be specified") if not hasattr(inputEnergy, "__len__"): energyList = [inputEnergy] weightList = [1.0] characteristicList = [1] else: energyList = [] weightList = [] characteristicList = [] for i in range(len(inputEnergy)): if fitConfiguration['fit']['energyflag'][i]: energy = fitConfiguration['fit']['energy'][i] if energy is not None: if fitConfiguration['fit']['energyflag'][i]: weight = fitConfiguration['fit']['energyweight'][i] if weight > 0.0: energyList.append(energy) weightList.append(weight) if 'energyscatter' in fitConfiguration['fit']: characteristicList.append(fitConfiguration['fit'] \ ['energyscatter'][i]) elif i == 0: characteristicList.append(1) else: characteristicList.append(0) return energyList, weightList, characteristicList def _getFiltersMatrixAttenuatorsDetectorGeometry(fitConfiguration): useMatrix = False attenuatorList =[] filterList = [] detector = None for attenuator in list(fitConfiguration['attenuators'].keys()): if not fitConfiguration['attenuators'][attenuator][0]: # set to be ignored continue #if len(fitConfiguration['attenuators'][attenuator]) == 4: # fitConfiguration['attenuators'][attenuator].append(1.0) if attenuator.upper() == "MATRIX": if fitConfiguration['attenuators'][attenuator][0]: useMatrix = True matrix = fitConfiguration['attenuators'][attenuator][1:4] alphaIn= fitConfiguration['attenuators'][attenuator][4] alphaOut= fitConfiguration['attenuators'][attenuator][5] else: useMatrix = False elif attenuator.upper() == "DETECTOR": detector = fitConfiguration['attenuators'][attenuator][1:5] elif attenuator.upper().startswith("BEAMFILTER"): filterList.append(fitConfiguration['attenuators'][attenuator][1:5]) else: attenuatorList.append(fitConfiguration['attenuators'][attenuator][1:5]) if not useMatrix: raise ValueError("Sample matrix has to be specified!") if matrix[0].upper() == "MULTILAYER": multilayerSample = [] layerKeys = list(fitConfiguration['multilayer'].keys()) if len(layerKeys): layerKeys.sort() for layer in layerKeys: if fitConfiguration['multilayer'][layer][0]: multilayerSample.append(fitConfiguration['multilayer'][layer][1:]) else: multilayerSample = [matrix] return filterList, multilayerSample, attenuatorList, detector, \ alphaIn, alphaOut def _getPeakList(fitConfiguration): elementsList = [] for element in fitConfiguration['peaks'].keys(): if len(element) > 1: ele = element[0:1].upper() + element[1:2].lower() else: ele = element.upper() if type(fitConfiguration['peaks'][element]) == type([]): for peak in fitConfiguration['peaks'][element]: elementsList.append(ele + " " + peak) else: for peak in [fitConfiguration['peaks'][element]]: elementsList.append(ele + " " + peak) elementsList.sort() return elementsList def _getFisxDetector(fitConfiguration, attenuatorsDetector=None): distance = fitConfiguration["concentrations"]["distance"] area = fitConfiguration["concentrations"]["area"] detectorMaterial = fitConfiguration["detector"]["detele"] if attenuatorsDetector is None: # user is not interested on accounting for detection efficiency if fitConfiguration["fit"]["escapeflag"]: # but wants to account for escape peaks # we can forget about efficiency but not about detector composition # assign "infinite" efficiency density = 0.0 thickness = 0.0 fisxDetector = Detector(detectorMaterial, density=density, thickness=thickness) else: # user is not interested on considering the escape peaks fisxDetector = None else: # make sure information is consistent if attenuatorsDetector[0] not in [detectorMaterial, detectorMaterial+"1"]: print("%s not equal to %s" % (attenuatorsDetector[0], detectorMaterial)) msg = "Inconsistent detector material between DETECTOR and ATTENUATORS tab" msg += "\n%s not equal to %s" % (attenuatorsDetector[0], detectorMaterial) raise ValueError(msg) if len(attenuatorsDetector) == 3: fisxDetector = Detector(detectorMaterial, density=attenuatorsDetector[1], thickness=attenuatorsDetector[2]) else: fisxDetector = Detector(detectorMaterial, density=attenuatorsDetector[1], thickness=attenuatorsDetector[2], funny=attenuatorsDetector[3]) fisxDetector.setActiveArea(area) fisxDetector.setDistance(distance) if fisxDetector is not None: nThreshold = fitConfiguration["detector"]["nthreshold"] fisxDetector.setMaximumNumberOfEscapePeaks(nThreshold) return fisxDetector def _getSecondaryCalculationLimitFromFitConfiguration(fitConfiguration): try: limit = float(\ fitConfiguration["concentrations"]["secondarycalculationlimit"]) except: if DEBUG: print("Exception. Forcing no limit") limit = 0.0 return limit def getMultilayerFluorescenceFromFitConfiguration(fitConfiguration, elementsFromMatrix=False, secondaryCalculationLimit=None): return _fisxFromFitConfigurationAction(fitConfiguration, action="fluorescence", elementsFromMatrix=elementsFromMatrix, secondaryCalculationLimit= \ secondaryCalculationLimit) def getFisxCorrectionFactorsFromFitConfiguration(fitConfiguration, elementsFromMatrix=False, secondaryCalculationLimit=None): return _fisxFromFitConfigurationAction(fitConfiguration, action="correction", elementsFromMatrix=elementsFromMatrix, secondaryCalculationLimit= \ secondaryCalculationLimit) def _fisxFromFitConfigurationAction(fitConfiguration, action=None, elementsFromMatrix=False, \ secondaryCalculationLimit=None): if action is None: raise ValueError("Please specify action") if secondaryCalculationLimit is None: secondaryCalculationLimit = \ _getSecondaryCalculationLimitFromFitConfiguration(fitConfiguration) # This is highly inefficient because one has to perform all the parsing # that has been already made when configuring the fit. However, this is # currently the simplest implementation that can work as standalone given # the fit configuration # the fisx materials list fisxMaterials = _getFisxMaterials(fitConfiguration) # extract beam parameters energyList, weightList, characteristicList = _getBeam(fitConfiguration) # extract beamFilters, matrix, geometry, attenuators and detector filterList, multilayerSample, attenuatorList, detector, alphaIn, alphaOut \ = _getFiltersMatrixAttenuatorsDetectorGeometry(fitConfiguration) # The elements and families to be considered elementsList = _getPeakList(fitConfiguration) # The detection setup detectorInstance = _getFisxDetector(fitConfiguration, detector) try: secondary = fitConfiguration["concentrations"]["usemultilayersecondary"] except: print("Exception. Forcing tertiary") secondary = 2 if action.upper() == "FLUORESCENCE": return getMultilayerFluorescence(multilayerSample, energyList, weightList = weightList, flagList = characteristicList, fulloutput = None, beamFilters = filterList, elementsList = elementsList, attenuatorList = attenuatorList, alphaIn = alphaIn, alphaOut = alphaOut, cascade = None, detector = detectorInstance, elementsFromMatrix=elementsFromMatrix, secondary=secondary, materials=fisxMaterials, secondaryCalculationLimit= \ secondaryCalculationLimit) else: if secondary == 0: # otherways it is meaning less to call the function secondary = 2 return getFisxCorrectionFactors(multilayerSample, energyList, weightList = weightList, flagList = characteristicList, fulloutput = None, beamFilters = filterList, elementsList = elementsList, attenuatorList = attenuatorList, alphaIn = alphaIn, alphaOut = alphaOut, cascade = None, detector = detectorInstance, elementsFromMatrix=elementsFromMatrix, secondary=secondary, materials=fisxMaterials, secondaryCalculationLimit= \ secondaryCalculationLimit) def getFisxCorrectionFactors(*var, **kw): expectedFluorescence = getMultilayerFluorescence(*var, **kw) ddict = {} transitions = ['K', 'Ka', 'Kb', 'L', 'L1', 'L2', 'L3', 'M'] if kw["secondary"] == 2: nItems = 3 else: nItems = 2 for key in expectedFluorescence: element, family = key.split() if element not in ddict: ddict[element] = {} if family not in transitions: raise KeyError("Invalid transition family: %s" % family) if family not in ddict[element]: ddict[element][family] = {'total':0.0, 'correction_factor':[1.0] * nItems, 'counts':[0.0] * nItems} for iLayer in range(len(expectedFluorescence[key])): layerOutput = expectedFluorescence[key][iLayer] layerKey = "layer %d" % iLayer if layerKey not in ddict[element][family]: ddict[element][family][layerKey] = {'total':0.0, 'correction_factor':[1.0] * nItems, 'counts':[0.0] * nItems} for line in layerOutput: rate = layerOutput[line]["rate"] primary = layerOutput[line]["primary"] secondary = layerOutput[line]["secondary"] tertiary = layerOutput[line].get("tertiary", 0.0) if rate <= 0.0: continue # primary counts tmpDouble = rate * (primary / (primary + secondary + tertiary)) ddict[element][family]["counts"][0] += tmpDouble secondaryCounts = rate * \ ((primary + secondary)/ (primary + secondary + tertiary)) ddict[element][family]["counts"][1] += secondaryCounts if nItems == 3: ddict[element][family]["counts"][2] += rate ddict[element][family]["total"] += rate #layer by layer information ddict[element][family][layerKey]["counts"][0] += tmpDouble ddict[element][family][layerKey]["counts"][1] += secondaryCounts if nItems == 3: ddict[element][family][layerKey]["counts"][2] += rate ddict[element][family][layerKey]["total"] += rate for element in ddict: for family in ddict[element]: # second order includes tertiary!!! firstOrder = ddict[element][family]["counts"][0] secondOrder = ddict[element][family]["counts"][1] ddict[element][family]["correction_factor"][1] = \ secondOrder / firstOrder if nItems == 3: thirdOrder = ddict[element][family]["counts"][2] ddict[element][family]["correction_factor"][2] = \ thirdOrder / firstOrder i = 0 layerKey = "layer %d" % i while layerKey in ddict[element][family]: firstOrder = ddict[element][family][layerKey]["counts"][0] secondOrder = ddict[element][family][layerKey]["counts"][1] if firstOrder <= 0: if secondOrder > 0.0: print("Inconsistency? secondary with no primary?") ddict[element][family][layerKey]["correction_factor"][1] = 1 if nItems == 3: ddict[element][family][layerKey]["correction_factor"][2] = 1 else: ddict[element][family][layerKey]["correction_factor"][1] =\ secondOrder / firstOrder if nItems == 3: ddict[element][family][layerKey]["correction_factor"][2] =\ thirdOrder / firstOrder i += 1 layerKey = "layer %d" % i return ddict def getFisxCorrectionFactorsFromFitConfigurationFile(fileName, elementsFromMatrix=False, secondaryCalculationLimit=None): from PyMca5.PyMca import ConfigDict d = ConfigDict.ConfigDict() d.read(fileName) return getFisxCorrectionFactorsFromFitConfiguration(d, elementsFromMatrix=elementsFromMatrix, secondaryCalculationLimit= \ secondaryCalculationLimit) if __name__ == "__main__": DEBUG = 1 import time import sys if len(sys.argv) < 2: print("Usage: python FisxHelper FitConfigurationFile [element] [matrix_flag]") sys.exit(0) fileName = sys.argv[1] if len(sys.argv) > 2: element = sys.argv[2] if len(sys.argv) > 3: matrix = int(sys.argv[3]) print(getFisxCorrectionFactorsFromFitConfigurationFile(\ fileName, elementsFromMatrix=matrix))[element] else: print(getFisxCorrectionFactorsFromFitConfigurationFile(fileName)) \ [element] else: print(getFisxCorrectionFactorsFromFitConfigurationFile(fileName)) PyMca5-5.2.2/PyMca5/PyMcaPhysics/xrf/Scofield1973.py0000644000276300001750000000340013136054446021625 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2016 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os from PyMca5.PyMcaIO import ConfigDict from PyMca5 import getDataFile dict = ConfigDict.ConfigDict() dictfile = getDataFile("Scofield1973.dict") dict.read(dictfile) PyMca5-5.2.2/PyMca5/PyMcaPhysics/xrf/FastXRFLinearFit.py0000644000276300001750000010614513136054446022636 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2017 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" __doc__ = """ Module to perform a fast linear fit on a stack of fluorescence spectra. """ import os import numpy from PyMca5.PyMcaMath.linalg import lstsq from . import ClassMcaTheory from PyMca5.PyMcaMath.fitting import Gefit from . import ConcentrationsTool from PyMca5.PyMcaMath.fitting import SpecfitFuns from PyMca5.PyMcaIO import ConfigDict import time DEBUG = 0 class FastXRFLinearFit(object): def __init__(self, mcafit=None): self._config = None if mcafit is None: self._mcaTheory = ClassMcaTheory.McaTheory() else: self._mcaTheory = mcafit def setFitConfiguration(self, configuration): self._mcaTheory.setConfiguration(configuration) def setFitConfigurationFile(self, ffile): if not os.path.exists(ffile): raise IOError("File <%s> does not exists" % ffile) configuration = ConfigDict.ConfigDict() configuration.read(ffile) self.setFitConfiguration(configuration) def fitMultipleSpectra(self, x=None, y=None, xmin=None, xmax=None, configuration=None, concentrations=False, ysum=None, weight=None, refit=True): """ This method performs the actual fit. The y keyword is the only mandatory input argument. :param x: 1D array containing the x axis (usually the channels) of the spectra. :param y: 3D array containing the spectra as [nrows, ncolumns, nchannels] :param xmin: lower limit of the fitting region :param xmax: upper limit of the fitting region :param weight: 0 Means no weight, 1 Use an average weight, 2 Individual weights (slow) :param concentrations: 0 Means no calculation, 1 Calculate them :param refit: if False, no check for negative results. Default is True. :return: A dictionnary with the parameters, uncertainties, concentrations and names as keys. """ if y is None: raise RuntimeError("y keyword argument is mandatory!") #if concentrations: # txt = "Fast concentration calculation not implemented yet" # raise NotImplemented(txt) if DEBUG: t0 = time.time() if configuration is not None: self._mcaTheory.setConfiguration(configuration) # read the current configuration config = self._mcaTheory.getConfiguration() # background if config['fit']['stripflag']: if config['fit']['stripalgorithm'] == 1: if DEBUG: print("SNIP") else: raise RuntimeError("Please use the faster SNIP background") toReconfigure = False if weight is None: # dictated by the file weight = config['fit']['fitweight'] if weight: # individual pixel weights (slow) weightPolicy = 2 else: # No weight weightPolicy = 0 elif weight == 1: # use average weight from the sum spectrum weightPolicy = 1 if not config['fit']['fitweight']: config['fit']['fitweight'] = 1 toReconfigure = True elif weight == 2: # individual pixel weights (slow) weightPolicy = 2 if not config['fit']['fitweight']: config['fit']['fitweight'] = 1 toReconfigure = True weight = 1 else: # No weight weightPolicy = 0 if config['fit']['fitweight']: config['fit']['fitweight'] = 0 toReconfigure = True weight = 0 if not config['fit']['linearfitflag']: #make sure we force a linear fit config['fit']['linearfitflag'] = 1 toReconfigure = True if toReconfigure: # we must configure again the fit self._mcaTheory.setConfiguration(config) if hasattr(y, "info") and hasattr(y, "data"): data = y.data mcaIndex = y.info.get("McaIndex", -1) else: data = y mcaIndex = -1 if len(data.shape) != 3: txt = "For the time being only three dimensional arrays supported" raise IndexError(txt) elif mcaIndex not in [-1, 2]: txt = "For the time being only mca arrays supported" raise IndexError(txt) else: # if the cumulated spectrum is present it should be better nRows = data.shape[0] nColumns = data.shape[1] nPixels = nRows * nColumns if ysum is not None: firstSpectrum = ysum elif weightPolicy == 1: # we need to calculate the sum spectrum to derive the uncertainties totalSpectra = data.shape[0] * data.shape[1] jStep = min(5000, data.shape[1]) ysum = numpy.zeros((data.shape[mcaIndex],), numpy.float) for i in range(0, data.shape[0]): if i == 0: chunk = numpy.zeros((data.shape[0], jStep), numpy.float) jStart = 0 while jStart < data.shape[1]: jEnd = min(jStart + jStep, data.shape[1]) ysum += data[i, jStart:jEnd, :].sum(axis=0, dtype=numpy.float) jStart = jEnd firstSpectrum = ysum elif not concentrations: # just one spectrum is enough for the setup firstSpectrum = data[0, 0, :] else: firstSpectrum = data[0, :, :].sum(axis=0, dtype=numpy.float) # make sure we calculate the matrix of the contributions self._mcaTheory.enableOptimizedLinearFit() # initialize the fit # print("xmin = ", xmin) # print("xmax = ", xmax) # print("firstShape = ", firstSpectrum.shape) self._mcaTheory.setData(x=x, y=firstSpectrum, xmin=xmin, xmax=xmax) # and initialize the derivatives self._mcaTheory.estimate() # now we can get the derivatives respect to the free parameters # These are the "derivatives" respect to the peaks # linearMatrix = self._mcaTheory.linearMatrix # but we are still missing the derivatives from the background nFree = 0 freeNames = [] nFreeBackgroundParameters = 0 for i, param in enumerate(self._mcaTheory.PARAMETERS): if self._mcaTheory.codes[0][i] != ClassMcaTheory.Gefit.CFIXED: nFree += 1 freeNames.append(param) if i < self._mcaTheory.NGLOBAL: nFreeBackgroundParameters += 1 #build the matrix of derivatives derivatives = None idx = 0 for i, param in enumerate(self._mcaTheory.PARAMETERS): if self._mcaTheory.codes[0][i] == ClassMcaTheory.Gefit.CFIXED: continue deriv= self._mcaTheory.linearMcaTheoryDerivative(self._mcaTheory.parameters, i, self._mcaTheory.xdata) deriv.shape = -1 if derivatives is None: derivatives = numpy.zeros((deriv.shape[0], nFree), numpy.float) derivatives[:, idx] = deriv idx += 1 #loop for anchors xdata = self._mcaTheory.xdata if config['fit']['stripflag']: anchorslist = [] if config['fit']['stripanchorsflag']: if config['fit']['stripanchorslist'] is not None: ravelled = numpy.ravel(xdata) for channel in config['fit']['stripanchorslist']: if channel <= ravelled[0]:continue index = numpy.nonzero(ravelled >= channel)[0] if len(index): index = min(index) if index > 0: anchorslist.append(index) if len(anchorslist) == 0: anchorlist = [0, self._mcaTheory.ydata.size - 1] anchorslist.sort() # find the indices to be used for selecting the appropriate data # if the original x data were not ordered we have a problem # TODO: check for original ordering. if x is None: # we have an enumerated channels axis iXMin = xdata[0] iXMax = xdata[-1] else: iXMin = numpy.nonzero(x <= xdata[0])[0][-1] iXMax = numpy.nonzero(x >= xdata[-1])[0][0] # numpy 1.11.0 returns an array on previous expression # and then complains about a future deprecation warning # because of using an arry and not an scalar in the selection if hasattr(iXMin, "shape"): if len(iXMin.shape): iXMin = iXMin[0] if hasattr(iXMax, "shape"): if len(iXMax.shape): iXMax = iXMax[0] dummySpectrum = firstSpectrum[iXMin:iXMax+1].reshape(-1, 1) # print("dummy = ", dummySpectrum.shape) # allocate the output buffer results = numpy.zeros((nFree, nRows, nColumns), numpy.float32) uncertainties = numpy.zeros((nFree, nRows, nColumns), numpy.float32) #perform the initial fit if DEBUG: print("Configuration elapsed = %f" % (time.time() - t0)) t0 = time.time() totalSpectra = data.shape[0] * data.shape[1] jStep = min(100, data.shape[1]) if weightPolicy == 2: SVD = False sigma_b = None elif weightPolicy == 1: # the +1 is to prevent misbehavior due to weights less than 1.0 sigma_b = 1 + numpy.sqrt(dummySpectrum)/nPixels SVD = True else: SVD = True sigma_b = None last_svd = None for i in range(0, data.shape[0]): #print(i) #chunks of nColumns spectra if i == 0: chunk = numpy.zeros((dummySpectrum.shape[0], jStep), numpy.float) jStart = 0 while jStart < data.shape[1]: jEnd = min(jStart + jStep, data.shape[1]) chunk[:,:(jEnd - jStart)] = data[i, jStart:jEnd, iXMin:iXMax+1].T if config['fit']['stripflag']: for k in range(jStep): # obtain the smoothed spectrum background=SpecfitFuns.SavitskyGolay(chunk[:, k], config['fit']['stripfilterwidth']) lastAnchor = 0 for anchor in anchorslist: if (anchor > lastAnchor) and (anchor < background.size): background[lastAnchor:anchor] =\ SpecfitFuns.snip1d(background[lastAnchor:anchor], config['fit']['snipwidth'], 0) lastAnchor = anchor if lastAnchor < background.size: background[lastAnchor:] =\ SpecfitFuns.snip1d(background[lastAnchor:], config['fit']['snipwidth'], 0) chunk[:, k] -= background # perform the multiple fit to all the spectra in the chunk #print("SHAPES") #print(derivatives.shape) #print(chunk[:,:(jEnd - jStart)].shape) ddict=lstsq(derivatives, chunk[:,:(jEnd - jStart)], sigma_b=sigma_b, weight=weight, digested_output=True, svd=SVD, last_svd=last_svd) last_svd = ddict.get('svd', None) parameters = ddict['parameters'] results[:, i, jStart:jEnd] = parameters uncertainties[:, i, jStart:jEnd] = ddict['uncertainties'] jStart = jEnd if DEBUG: t = time.time() - t0 print("First fit elapsed = %f" % t) print("Spectra per second = %f" % (data.shape[0]*data.shape[1]/float(t))) t0 = time.time() # cleanup zeros # start with the parameter with the largest amount of negative values if refit: negativePresent = True else: negativePresent = False nFits = 0 while negativePresent: zeroList = [] #totalNegative = 0 for i in range(nFree): #we have to skip the background parameters if i >= nFreeBackgroundParameters: t = results[i] < 0 tsum = t.sum() if tsum > 0: zeroList.append((tsum, i, t)) #totalNegative += tsum #print("totalNegative = ", totalNegative) if len(zeroList) == 0: negativePresent = False continue if nFits > (2 * (nFree - nFreeBackgroundParameters)): # we are probably in an endless loop # force negative pixels for item in zeroList: i = item[1] badMask = item[2] results[i][badMask] = 0.0 print("WARNING: %d pixels of parameter %s forced to zero" % (item[0], freeNames[i])) continue zeroList.sort() zeroList.reverse() badParameters = [] badParameters.append(zeroList[0][1]) badMask = zeroList[0][2] if 1: # prevent and endless loop if two or more parameters have common pixels where they are # negative and one of them remains negative when forcing other one to zero for i, item in enumerate(zeroList): if item[1] not in badParameters: if item[0] > 0: #check if they have common negative pixels t = badMask * item[-1] if t.sum() > 0: badParameters.append(item[1]) badMask = t if badMask.sum() < (0.0025 * nPixels): # fit not worth for i in badParameters: results[i][badMask] = 0.0 uncertainties[i][badMask] = 0.0 if DEBUG: print("WARNING: %d pixels of parameter %s set to zero" % (badMask.sum(), freeNames[i])) else: if DEBUG: print("Number of secondary fits = %d" % (nFits + 1)) nFits += 1 A = derivatives[:, [i for i in range(nFree) if i not in badParameters]] #assume we'll not have too many spectra if data.dtype not in [numpy.float32, numpy.float64]: data if data.dtype not in [numpy.float32, numpy.float64]: if data.itemsize < 5: data_dtype = numpy.float32 else: data_dtype = numpy.floa64 else: data_dtype = data.dtype try: if data.dtype != data_dtype: spectra = numpy.zeros((int(badMask.sum()), 1 + iXMax - iXMin), data_dtype) spectra[:] = data[badMask, iXMin:iXMax+1] else: spectra = data[badMask, iXMin:iXMax+1] spectra.shape = badMask.sum(), -1 except TypeError: # in case of dynamic arrays, two dimensional indices are not # supported by h5py spectra = numpy.zeros((int(badMask.sum()), 1 + iXMax - iXMin), data_dtype) selectedIndices = numpy.nonzero(badMask > 0) tmpData = numpy.zeros((1, 1 + iXMax - iXMin), data_dtype) oldDataRow = -1 j = 0 for i in range(len(selectedIndices[0])): j = selectedIndices[0][i] if j != oldDataRow: tmpData = data[j] olddataRow = j spectra[i] = tmpData[selectedIndices[1][i], iXMin:iXMax+1] spectra = spectra.T # if config['fit']['stripflag']: for k in range(spectra.shape[1]): # obtain the smoothed spectrum background=SpecfitFuns.SavitskyGolay(spectra[:, k], config['fit']['stripfilterwidth']) lastAnchor = 0 for anchor in anchorslist: if (anchor > lastAnchor) and (anchor < background.size): background[lastAnchor:anchor] =\ SpecfitFuns.snip1d(background[lastAnchor:anchor], config['fit']['snipwidth'], 0) lastAnchor = anchor if lastAnchor < background.size: background[lastAnchor:] =\ SpecfitFuns.snip1d(background[lastAnchor:], config['fit']['snipwidth'], 0) spectra[:, k] -= background ddict = lstsq(A, spectra, sigma_b=sigma_b, weight=weight, digested_output=True, svd=SVD) idx = 0 for i in range(nFree): if i in badParameters: results[i][badMask] = 0.0 uncertainties[i][badMask] = 0.0 else: results[i][badMask] = ddict['parameters'][idx] uncertainties[i][badMask] = ddict['uncertainties'][idx] idx += 1 if DEBUG and refit: t = time.time() - t0 print("Fit of negative peaks elapsed = %f" % t) t0 = time.time() outputDict = {'parameters':results, 'uncertainties':uncertainties, 'names':freeNames} if concentrations: # check if an internal reference is used and if it is set to auto #################################################### # CONCENTRATIONS cTool = ConcentrationsTool.ConcentrationsTool() cToolConf = cTool.configure() cToolConf.update(config['concentrations']) fitFirstSpectrum = False if config['concentrations']['usematrix']: if DEBUG: print("USING MATRIX") if config['concentrations']['reference'].upper() == "AUTO": fitFirstSpectrum = True fitresult = {} if fitFirstSpectrum: # we have to fit the "reference" spectrum just to get the reference element mcafitresult = self._mcaTheory.startfit(digest=0, linear=True) # if one of the elements has zero area this cannot be made directly fitresult['result'] = self._mcaTheory.imagingDigestResult() fitresult['result']['config'] = config concentrationsResult, addInfo = cTool.processFitResult(config=cToolConf, fitresult=fitresult, elementsfrommatrix=False, fluorates=self._mcaTheory._fluoRates, addinfo=True) # and we have to make sure that all the areas are positive for group in fitresult['result']['groups']: if fitresult['result'][group]['fitarea'] <= 0.0: # give a tiny area fitresult['result'][group]['fitarea'] = 1.0e-6 config['concentrations']['reference'] = addInfo['ReferenceElement'] else: fitresult['result'] = {} fitresult['result']['config'] = config fitresult['result']['groups'] = [] idx = 0 for i, param in enumerate(self._mcaTheory.PARAMETERS): if self._mcaTheory.codes[0][i] == Gefit.CFIXED: continue if i < self._mcaTheory.NGLOBAL: # background pass else: fitresult['result']['groups'].append(param) fitresult['result'][param] = {} # we are just interested on the factor to be applied to the area to get the # concentrations fitresult['result'][param]['fitarea'] = 1.0 fitresult['result'][param]['sigmaarea'] = 1.0 idx += 1 concentrationsResult, addInfo = cTool.processFitResult(config=cToolConf, fitresult=fitresult, elementsfrommatrix=False, fluorates=self._mcaTheory._fluoRates, addinfo=True) nValues = 1 if len(concentrationsResult['layerlist']) > 1: nValues += len(concentrationsResult['layerlist']) nElements = len(list(concentrationsResult['mass fraction'].keys())) massFractions = numpy.zeros((nValues * nElements, nRows, nColumns), numpy.float32) referenceElement = addInfo['ReferenceElement'] referenceTransitions = addInfo['ReferenceTransitions'] if DEBUG: print("Reference <%s> transition <%s>" % (referenceElement, referenceTransitions)) if referenceElement in ["", None, "None"]: if DEBUG: print("No reference") counter = 0 for i, group in enumerate(fitresult['result']['groups']): if group.lower().startswith("scatter"): if DEBUG: print("skept %s" % group) continue outputDict['names'].append("C(%s)" % group) massFractions[counter] = results[nFreeBackgroundParameters+i] *\ (concentrationsResult['mass fraction'][group]/fitresult['result'][group]['fitarea']) counter += 1 if len(concentrationsResult['layerlist']) > 1: for layer in concentrationsResult['layerlist']: outputDict['names'].append("C(%s)-%s" % (group, layer)) massFractions[counter] = results[nFreeBackgroundParameters+i] *\ (concentrationsResult[layer]['mass fraction'][group]/fitresult['result'][group]['fitarea']) counter += 1 else: if DEBUG: print("With reference") idx = None testGroup = referenceElement+ " " + referenceTransitions.split()[0] for i, group in enumerate(fitresult['result']['groups']): if group == testGroup: idx = i if idx is None: raise ValueError("Invalid reference: <%s> <%s>" %\ (referenceElement, referenceTransitions)) group = fitresult['result']['groups'][idx] referenceArea = fitresult['result'][group]['fitarea'] referenceConcentrations = concentrationsResult['mass fraction'][group] goodIdx = results[nFreeBackgroundParameters+idx] > 0 massFractions[idx] = referenceConcentrations counter = 0 for i, group in enumerate(fitresult['result']['groups']): if group.lower().startswith("scatter"): if DEBUG: print("skept %s" % group) continue outputDict['names'].append("C(%s)" % group) goodI = results[nFreeBackgroundParameters+i] > 0 tmp = results[nFreeBackgroundParameters+idx][goodI] massFractions[counter][goodI] = (results[nFreeBackgroundParameters+i][goodI]/(tmp + (tmp == 0))) *\ ((referenceArea/fitresult['result'][group]['fitarea']) *\ (concentrationsResult['mass fraction'][group])) counter += 1 if len(concentrationsResult['layerlist']) > 1: for layer in concentrationsResult['layerlist']: outputDict['names'].append("C(%s)-%s" % (group, layer)) massFractions[counter][goodI] = (results[nFreeBackgroundParameters+i][goodI]/(tmp + (tmp == 0))) *\ ((referenceArea/fitresult['result'][group]['fitarea']) *\ (concentrationsResult[layer]['mass fraction'][group])) counter += 1 outputDict['concentrations'] = massFractions if DEBUG: t = time.time() - t0 print("Calculation of concentrations elapsed = %f" % t) t0 = time.time() #################################################### return outputDict def getFileListFromPattern(pattern, begin, end, increment=None): if type(begin) == type(1): begin = [begin] if type(end) == type(1): end = [end] if len(begin) != len(end): raise ValueError(\ "Begin list and end list do not have same length") if increment is None: increment = [1] * len(begin) elif type(increment) == type(1): increment = [increment] if len(increment) != len(begin): raise ValueError(\ "Increment list and begin list do not have same length") fileList = [] if len(begin) == 1: for j in range(begin[0], end[0] + increment[0], increment[0]): fileList.append(pattern % (j)) elif len(begin) == 2: for j in range(begin[0], end[0] + increment[0], increment[0]): for k in range(begin[1], end[1] + increment[1], increment[1]): fileList.append(pattern % (j, k)) elif len(begin) == 3: raise ValueError("Cannot handle three indices yet.") for j in range(begin[0], end[0] + increment[0], increment[0]): for k in range(begin[1], end[1] + increment[1], increment[1]): for l in range(begin[2], end[2] + increment[2], increment[2]): fileList.append(pattern % (j, k, l)) else: raise ValueError("Cannot handle more than three indices.") return fileList if __name__ == "__main__": DEBUG = True import glob import sys from PyMca5.PyMca import EDFStack from PyMca5.PyMca import ArraySave import getopt options = '' longoptions = ['cfg=', 'outdir=', 'concentrations=', 'weight=', 'refit=', 'tif=', #'listfile=', 'filepattern=', 'begin=', 'end=', 'increment=', "outfileroot="] try: opts, args = getopt.getopt( sys.argv[1:], options, longoptions) except: print(sys.exc_info()[1]) sys.exit(1) fileRoot = "" outputDir = None refit = None fileindex = 0 filepattern=None begin = None end = None increment=None backend=None weight=0 tif=0 concentrations=0 for opt, arg in opts: if opt in ('--cfg'): configurationFile = arg elif opt in '--begin': if "," in arg: begin = [int(x) for x in arg.split(",")] else: begin = [int(arg)] elif opt in '--end': if "," in arg: end = [int(x) for x in arg.split(",")] else: end = int(arg) elif opt in '--increment': if "," in arg: increment = [int(x) for x in arg.split(",")] else: increment = int(arg) elif opt in '--filepattern': filepattern = arg.replace('"', '') filepattern = filepattern.replace("'", "") elif opt in '--outdir': outputDir = arg elif opt in '--weight': weight = int(arg) elif opt in '--refit': refit = int(arg) elif opt in '--concentrations': concentrations = int(arg) elif opt in '--outfileroot': fileRoot = arg elif opt in ['--tif', '--tiff']: tif = int(arg) if filepattern is not None: if (begin is None) or (end is None): raise ValueError(\ "A file pattern needs at least a set of begin and end indices") if filepattern is not None: fileList = getFileListFromPattern(filepattern, begin, end, increment=increment) else: fileList = args if refit is None: refit = 0 print("WARNING: --refit=%d taken as default" % refit) if len(fileList): if (not os.path.exists(fileList[0])) and \ os.path.exists(fileList[0].split("::")[0]): # odo convention to get a dataset form an HDF5 import h5py fname, dataPath = fileList[0].split("::") h5 = h5py.File(fname, "r") # compared to the ROI imaging tool, this way of reading puts data into memory # while with the ROI imaging tool, there is a check. dataStack = h5[dataPath][:] h5.close() else: dataStack = EDFStack.EDFStack(fileList, dtype=numpy.float32) else: print("OPTIONS:", longoptions) sys.exit(0) if outputDir is None: print("RESULTS WILL NOT BE SAVED: No output directory specified") t0 = time.time() fastFit = FastXRFLinearFit() fastFit.setFitConfigurationFile(configurationFile) print("Main configuring Elapsed = % s " % (time.time() - t0)) result = fastFit.fitMultipleSpectra(y=dataStack, weight=weight, refit=refit, concentrations=concentrations) print("Total Elapsed = % s " % (time.time() - t0)) if outputDir is not None: if 'concentrations' in result: imageNames = result['names'] images = numpy.concatenate((result['parameters'], result['concentrations']), axis=0) else: images = result['parameters'] imageNames = result['names'] nImages = images.shape[0] if fileRoot in [None, ""]: fileRoot = "images" if not os.path.exists(outputDir): os.mkdir(outputDir) imagesDir = os.path.join(outputDir, "IMAGES") if not os.path.exists(imagesDir): os.mkdir(imagesDir) imageList = [None] * (nImages + len(result['uncertainties'])) fileImageNames = [None] * (nImages + len(result['uncertainties'])) j = 0 for i in range(nImages): name = imageNames[i].replace(" ","-") fileImageNames[j] = name imageList[j] = images[i] j += 1 if not imageNames[i].startswith("C("): # fitted parameter fileImageNames[j] = "s(%s)" % name imageList[j] = result['uncertainties'][i] j += 1 fileName = os.path.join(imagesDir, fileRoot+".edf") ArraySave.save2DArrayListAsEDF(imageList, fileName, labels=fileImageNames) fileName = os.path.join(imagesDir, fileRoot+".csv") ArraySave.save2DArrayListAsASCII(imageList, fileName, csv=True, labels=fileImageNames) if tif: i = 0 for i in range(len(fileImageNames)): label = fileImageNames[i] if label.startswith("s("): continue elif label.startswith("C("): mass_fraction = "_" + label[2:-1] + "_mass_fraction" else: mass_fraction = "_" + label fileName = os.path.join(imagesDir, fileRoot + mass_fraction + ".tif") ArraySave.save2DArrayListAsMonochromaticTiff([imageList[i]], fileName, labels=[label], dtype=numpy.float32) PyMca5-5.2.2/PyMca5/PyMcaPhysics/xrf/Elements.py0000644000276300001750000041536313136054446021344 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2017 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" LOGLOG = True import sys import os import numpy import re import weakref import types from PyMca5.PyMcaIO import ConfigDict from . import CoherentScattering from . import IncoherentScattering from . import PyMcaEPDL97 from PyMca5 import PyMcaDataDir """ Constant Symbol 2006 CODATA value Relative uncertainty Electron relative atomic mass Ar(e) 5.485 799 0943(23) x 10-4 4.2 x 10-10 Molar mass constant Mu 0.001 kg/mol defined Rydberg constant R 10 973 731.568 527(73) m-1 6.6 x 10-12 Planck constant h 6.626 068 96(33) x 10-34 Js 5.0 x 10-8 Speed of light c 299 792 458 m/s defined Fine structure constant alpha 7.297 352 5376(50) x 10-3 6.8 x 10-10 Avogadro constant NA 6.022 141 79(30) x 10+23 mol-1 5.0 x 10-8 """ MINENERGY = 0.175 AVOGADRO_NUMBER = 6.02214179E23 # # Symbol Atomic Number x y ( positions on table ) # name, mass, density # ElementsInfo = [ ["H", 1, 1,1, "hydrogen", 1.00800, 0.08988 ], ["He", 2, 18,1, "helium", 4.00300, 0.17860 ], ["Li", 3, 1,2, "lithium", 6.94000, 534.000 ], ["Be", 4, 2,2, "beryllium", 9.01200, 1848.00 ], ["B", 5, 13,2, "boron", 10.8110, 2340.00 ], ["C", 6, 14,2, "carbon", 12.0100, 1580.00 ], ["N", 7, 15,2, "nitrogen", 14.0080, 1.25000 ], ["O", 8, 16,2, "oxygen", 16.0000, 1.42900 ], ["F", 9, 17,2, "fluorine", 19.0000, 1108.00 ], ["Ne", 10, 18,2, "neon", 20.1830, 0.90020 ], ["Na", 11, 1,3, "sodium", 22.9970, 970.000 ], ["Mg", 12, 2,3, "magnesium", 24.3200, 1740.00 ], ["Al", 13, 13,3, "aluminium", 26.9700, 2720.00 ], ["Si", 14, 14,3, "silicon", 28.0860, 2330.00 ], ["P", 15, 15,3, "phosphorus", 30.9750, 1820.00 ], ["S", 16, 16,3, "sulphur", 32.0660, 2000.00 ], ["Cl", 17, 17,3, "chlorine", 35.4570, 1560.00 ], ["Ar", 18, 18,3, "argon", 39.9440, 1.78400 ], ["K", 19, 1,4, "potassium", 39.1020, 862.000 ], ["Ca", 20, 2,4, "calcium", 40.0800, 1550.00 ], ["Sc", 21, 3,4, "scandium", 44.9600, 2992.00 ], ["Ti", 22, 4,4, "titanium", 47.9000, 4540.00 ], ["V", 23, 5,4, "vanadium", 50.9420, 6110.00 ], ["Cr", 24, 6,4, "chromium", 51.9960, 7190.00 ], ["Mn", 25, 7,4, "manganese", 54.9400, 7420.00 ], ["Fe", 26, 8,4, "iron", 55.8500, 7860.00 ], ["Co", 27, 9,4, "cobalt", 58.9330, 8900.00 ], ["Ni", 28, 10,4, "nickel", 58.6900, 8900.00 ], ["Cu", 29, 11,4, "copper", 63.5400, 8940.00 ], ["Zn", 30, 12,4, "zinc", 65.3800, 7140.00 ], ["Ga", 31, 13,4, "gallium", 69.7200, 5903.00 ], ["Ge", 32, 14,4, "germanium", 72.5900, 5323.00 ], ["As", 33, 15,4, "arsenic", 74.9200, 5730.00 ], ["Se", 34, 16,4, "selenium", 78.9600, 4790.00 ], ["Br", 35, 17,4, "bromine", 79.9200, 3120.00 ], ["Kr", 36, 18,4, "krypton", 83.8000, 3.74000 ], ["Rb", 37, 1,5, "rubidium", 85.4800, 1532.00 ], ["Sr", 38, 2,5, "strontium", 87.6200, 2540.00 ], ["Y", 39, 3,5, "yttrium", 88.9050, 4405.00 ], ["Zr", 40, 4,5, "zirconium", 91.2200, 6530.00 ], ["Nb", 41, 5,5, "niobium", 92.9060, 8570.00 ], ["Mo", 42, 6,5, "molybdenum", 95.9500, 10220.0 ], ["Tc", 43, 7,5, "technetium", 99.0000, 11500.0 ], ["Ru", 44, 8,5, "ruthenium", 101.0700, 12410.0 ], ["Rh", 45, 9,5, "rhodium", 102.9100, 12440.0 ], ["Pd", 46, 10,5, "palladium", 106.400, 12160.0 ], ["Ag", 47, 11,5, "silver", 107.880, 10500.0 ], ["Cd", 48, 12,5, "cadmium", 112.410, 8650.00 ], ["In", 49, 13,5, "indium", 114.820, 7280.00 ], ["Sn", 50, 14,5, "tin", 118.690, 5310.00 ], ["Sb", 51, 15,5, "antimony", 121.760, 6691.00 ], ["Te", 52, 16,5, "tellurium", 127.600, 6240.00 ], ["I", 53, 17,5, "iodine", 126.910, 4940.00 ], ["Xe", 54, 18,5, "xenon", 131.300, 5.90000 ], ["Cs", 55, 1,6, "caesium", 132.910, 1873.00 ], ["Ba", 56, 2,6, "barium", 137.360, 3500.00 ], ["La", 57, 3,6, "lanthanum", 138.920, 6150.00 ], ["Ce", 58, 4,9, "cerium", 140.130, 6670.00 ], ["Pr", 59, 5,9, "praseodymium",140.920, 6769.00 ], ["Nd", 60, 6,9, "neodymium", 144.270, 6960.00 ], ["Pm", 61, 7,9, "promethium", 147.000, 6782.00 ], ["Sm", 62, 8,9, "samarium", 150.350, 7536.00 ], ["Eu", 63, 9,9, "europium", 152.000, 5259.00 ], ["Gd", 64, 10,9, "gadolinium", 157.260, 7950.00 ], ["Tb", 65, 11,9, "terbium", 158.930, 8272.00 ], ["Dy", 66, 12,9, "dysprosium", 162.510, 8536.00 ], ["Ho", 67, 13,9, "holmium", 164.940, 8803.00 ], ["Er", 68, 14,9, "erbium", 167.270, 9051.00 ], ["Tm", 69, 15,9, "thulium", 168.940, 9332.00 ], ["Yb", 70, 16,9, "ytterbium", 173.040, 6977.00 ], ["Lu", 71, 17,9, "lutetium", 174.990, 9842.00 ], ["Hf", 72, 4,6, "hafnium", 178.500, 13300.0 ], ["Ta", 73, 5,6, "tantalum", 180.950, 16600.0 ], ["W", 74, 6,6, "tungsten", 183.920, 19300.0 ], ["Re", 75, 7,6, "rhenium", 186.200, 21020.0 ], ["Os", 76, 8,6, "osmium", 190.200, 22500.0 ], ["Ir", 77, 9,6, "iridium", 192.200, 22420.0 ], ["Pt", 78, 10,6, "platinum", 195.090, 21370.0 ], ["Au", 79, 11,6, "gold", 197.200, 19370.0 ], ["Hg", 80, 12,6, "mercury", 200.610, 13546.0 ], ["Tl", 81, 13,6, "thallium", 204.390, 11860.0 ], ["Pb", 82, 14,6, "lead", 207.210, 11340.0 ], ["Bi", 83, 15,6, "bismuth", 209.000, 9800.00 ], ["Po", 84, 16,6, "polonium", 209.000, 0 ], ["At", 85, 17,6, "astatine", 210.000, 0 ], ["Rn", 86, 18,6, "radon", 222.000, 9.73000 ], ["Fr", 87, 1,7, "francium", 223.000, 0 ], ["Ra", 88, 2,7, "radium", 226.000, 0 ], ["Ac", 89, 3,7, "actinium", 227.000, 0 ], ["Th", 90, 4,10, "thorium", 232.000, 11700.0 ], ["Pa", 91, 5,10, "proactinium",231.03588, 0 ], ["U", 92, 6,10, "uranium", 238.070, 19050.0 ], ["Np", 93, 7,10, "neptunium", 237.000, 0 ], ["Pu", 94, 8,10, "plutonium", 239.100, 19700.0 ], ["Am", 95, 9,10, "americium", 243, 0 ], ["Cm", 96, 10,10, "curium", 247, 0 ], ["Bk", 97, 11,10, "berkelium", 247, 0 ], ["Cf", 98, 12,10, "californium",251, 0 ], ["Es", 99, 13,10, "einsteinium",252, 0 ], ["Fm", 100, 14,10, "fermium", 257, 0 ], ["Md", 101, 15,10, "mendelevium",258, 0 ], ["No", 102, 16,10, "nobelium", 259, 0 ], ["Lr", 103, 17,10, "lawrencium", 262, 0 ], ["Rf", 104, 4,7, "rutherfordium",261, 0 ], ["Db", 105, 5,7, "dubnium", 262, 0 ], ["Sg", 106, 6,7, "seaborgium", 266, 0 ], ["Bh", 107, 7,7, "bohrium", 264, 0 ], ["Hs", 108, 8,7, "hassium", 269, 0 ], ["Mt", 109, 9,7, "meitnerium", 268, 0 ], ] ElementList= [ elt[0] for elt in ElementsInfo ] from . import BindingEnergies ElementShells = BindingEnergies.ElementShells[1:] ElementBinding = BindingEnergies.ElementBinding from . import KShell from . import LShell from . import MShell #Scofield's photoelectric dictionnary from . import Scofield1973 ElementShellTransitions = [KShell.ElementKShellTransitions, KShell.ElementKAlphaTransitions, KShell.ElementKBetaTransitions, LShell.ElementLShellTransitions, LShell.ElementL1ShellTransitions, LShell.ElementL2ShellTransitions, LShell.ElementL3ShellTransitions, MShell.ElementMShellTransitions] ElementShellRates = [KShell.ElementKShellRates, KShell.ElementKAlphaRates, KShell.ElementKBetaRates, LShell.ElementLShellRates, LShell.ElementL1ShellRates, LShell.ElementL2ShellRates, LShell.ElementL3ShellRates,MShell.ElementMShellRates] ElementXrays = ['K xrays', 'Ka xrays', 'Kb xrays', 'L xrays','L1 xrays','L2 xrays','L3 xrays','M xrays'] def getsymbol(z): if (z > 0) and (z<=len(ElementList)): return ElementsInfo[int(z)-1][0] else: return None def getname(z): if (z > 0) and (z<=len(ElementList)): return ElementsInfo[int(z)-1][4] else: return None def getz(ele): if ele in ElementList: return ElementList.index(ele)+1 else: return None #fluorescence yields def getomegak(ele): index = KShell.ElementKShellConstants.index('omegaK') return KShell.ElementKShellValues[getz(ele)-1][index] def getomegal1(ele): index = LShell.ElementL1ShellConstants.index('omegaL1') return LShell.ElementL1ShellValues[getz(ele)-1][index] def getomegal2(ele): index = LShell.ElementL2ShellConstants.index('omegaL2') return LShell.ElementL2ShellValues[getz(ele)-1][index] def getomegal3(ele): index = LShell.ElementL3ShellConstants.index('omegaL3') return LShell.ElementL3ShellValues[getz(ele)-1][index] def getomegam1(ele): return MShell.getomegam1(ele) def getomegam2(ele): return MShell.getomegam2(ele) def getomegam3(ele): return MShell.getomegam3(ele) def getomegam4(ele): return MShell.getomegam4(ele) def getomegam5(ele): return MShell.getomegam5(ele) #CosterKronig def getCosterKronig(ele): return LShell.getCosterKronig(ele) #Jump ratios following Veigele: Atomic Data Tables 5 (1973) 51-111. p 54 and 55 VEIGELE = True def getjkVeigele(z): return (125.0/z) + 3.5 def getjl1Veigele(z): return 1.2 def getjl2Veigele(z): return 1.4 def getjl3Veigele(z): return (80.0/z) + 1.5 def getjm1Veigele(z): return 1.1 def getjm2Veigele(z): return 1.1 def getjm3Veigele(z): return 1.2 def getjm4Veigele(z): return 1.5 def getjm5Veigele(z): return (225.0/z) - 0.35 def getjk(z, veigele=None): if z > 101:z=101 if veigele is None: veigele = VEIGELE if VEIGELE: return getjkVeigele(z) ele = getsymbol(z) if 'JK' in Scofield1973.dict[ele].keys(): return Scofield1973.dict[ele]['JK']*1.0 else: return None def getjl1(z, veigele=None): if z > 101:z=101 if veigele is None: veigele = VEIGELE if VEIGELE: return getjl1Veigele(z) ele = getsymbol(z) if 'JL1' in Scofield1973.dict[ele].keys(): return Scofield1973.dict[ele]['JL1']*1.0 else: return None def getjl2(z, veigele=None): if z > 101:z=101 if veigele is None: veigele = VEIGELE if VEIGELE: return getjl2Veigele(z) ele = getsymbol(z) if 'JL2' in Scofield1973.dict[ele].keys(): return Scofield1973.dict[ele]['JL2']*1.0 else: return None def getjl3(z, veigele=None): if z > 101:z=101 if veigele is None: veigele = VEIGELE if VEIGELE: return getjl3Veigele(z) ele = getsymbol(z) if 'JL3' in Scofield1973.dict[ele].keys(): return Scofield1973.dict[ele]['JL3']*1.0 else: return None def getjm1(z, veigele=None): if z > 101:z=101 if veigele is None: veigele = VEIGELE if VEIGELE: return getjm1Veigele(z) ele = getsymbol(z) if 'JM1' in Scofield1973.dict[ele].keys(): return Scofield1973.dict[ele]['JM1']*1.0 else: return None def getjm2(z, veigele=None): if z > 101:z=101 if veigele is None: veigele = VEIGELE if VEIGELE: return getjm2Veigele(z) ele = getsymbol(z) if 'JM3' in Scofield1973.dict[ele].keys(): return Scofield1973.dict[ele]['JM2']*1.0 else: return None def getjm3(z, veigele=None): if z > 101:z=101 if veigele is None: veigele = VEIGELE if VEIGELE: return getjm3Veigele(z) ele = getsymbol(z) if 'JM3' in Scofield1973.dict[ele].keys(): return Scofield1973.dict[ele]['JM3']*1.0 else: return None def getjm4(z, veigele=None): if z > 101:z=101 if veigele is None: veigele = VEIGELE if VEIGELE: return getjm4Veigele(z) ele = getsymbol(z) if 'JM4' in Scofield1973.dict[ele].keys(): return Scofield1973.dict[ele]['JM4']*1.0 else: return None def getjm5(z, veigele=None): if z > 101:z=101 if veigele is None: veigele = VEIGELE if VEIGELE: return getjm5Veigele(z) ele = getsymbol(z) if 'JM5' in Scofield1973.dict[ele].keys(): return Scofield1973.dict[ele]['JM5']*1.0 else: return None def getLJumpWeight(ele,excitedshells=[1.0,1.0,1.0]): """ wjump represents the probability for a vacancy to be created on the respective L-Shell by direct photoeffect on that shell """ z = getz(ele) #weights due to photoeffect jl = [getjl1(z), getjl2(z), getjl3(z)] wjump = [] i = 0 cum = 0.00 for jump in jl: if jump is not None: v = excitedshells[i]*(jump-1.0)/jump else: v = 0.0 wjump.append(v) cum += v i+=1 for i in range(len(wjump)): if cum > 0.0: wjump[i] = wjump[i] / cum else: wjump[i] = 0.0 return wjump def getMJumpWeight(ele,excitedshells=[1.0,1.0,1.0,1.0,1.0]): """ wjump represents the probability for a vacancy to be created on the respective M-Shell by direct photoeffect on that shell """ z = getz(ele) #weights due to photoeffect jm = [getjm1(z), getjm2(z), getjm3(z), getjm4(z), getjm5(z)] wjump = [] i = 0 cum = 0.00 for jump in jm: if jump is not None: v = excitedshells[i]*(jump-1.0)/jump else: v = 0.0 wjump.append(v) cum += v i+=1 for i in range(len(wjump)): if cum > 0.0: wjump[i] = wjump[i] / cum else: wjump[i] = 0.0 return wjump def getPhotoWeight(ele,shelllist,energy, normalize = None, totals = None): #shellist = ['M1', 'M2', 'M3', 'M4', 'M5'] # or ['L1', 'L2', 'L3'] if normalize is None:normalize = True if totals is None: totals = False w = [] z = getz(ele) if z > 101: element = getsymbol(101) if z > 104: elework = getsymbol(104) else: elework = ele else: elework = ele element = ele if totals and (energy < 1.0): raise ValueError("Incompatible combination") elif (energy < 1.0): #make sure the binding energies are correct if PyMcaEPDL97.EPDL97_DICT[ele]['original']: #make sure the binding energies are those used by this module and not EADL ones PyMcaEPDL97.setElementBindingEnergies(ele, Element[ele]['binding']) return PyMcaEPDL97.getPhotoelectricWeights(ele, shelllist, energy, normalize=normalize, totals=False) elif totals: totalPhoto = [] logf = numpy.log expf = numpy.exp for key in shelllist: wi = 0.0 totalPhotoi = 0.0 if key != "all other": bindingE = Element[elework]['binding'][key] else: bindingE = 0.001 if (key == "all other") and (key not in Scofield1973.dict[element].keys()): doit = False else: doit = True if doit and bindingE > 0.0: if energy >= bindingE: deltae = energy - bindingE if key != "all other": ework = Scofield1973.dict[element]['binding'][key]+deltae else: ework = energy if ework > Scofield1973.dict[element]['energy'][-1]: #take last wi = Scofield1973.dict[element][key][-1] totalPhotoi=Scofield1973.dict[element]['total'][-1] else: #interpolate i=0 while (Scofield1973.dict[element]['energy'][i] < ework): i+=1 #if less than 5 eV take that value (Scofield calculations #do not seem to be self-consistent in tems of energy grid #and binding energy -see Lead with e=2.5 -> ework = 2.506 #that is below the binding energy of Scofield) if False and (Scofield1973.dict[element]['energy'][i] - ework) < 0.005: #this does not work for Cd and E=3.5376" print("Not interpolate for key = ",key,'ework = ',ework,"taken ",Scofield1973.dict[element]['energy'][i]) wi = Scofield1973.dict[element][key][i] elif (key != 'all other') and Scofield1973.dict[element]['energy'][i-1] < Scofield1973.dict[element]['binding'][key]: wi = Scofield1973.dict[element][key][i] totalPhotoi = Scofield1973.dict[element]['total'][i] elif Scofield1973.dict[element][key][i-1] <= 0.0: #equivalent to previous case, solves problem of Fr at excitation = 3.0 wi = Scofield1973.dict[element][key][i] totalPhotoi = Scofield1973.dict[element]['total'][i] else: #if element == "Fr": # print "energy = ",energy," ework = ",ework # print Scofield1973.dict[element]['energy'][i] # print Scofield1973.dict[element]['energy'][i-1] # print Scofield1973.dict[element][key][i] # print Scofield1973.dict[element][key][i-1] # print type( Scofield1973.dict[element][key][i-1] ) x2 = logf(Scofield1973.dict[element]['energy'][i]) x1 = logf(Scofield1973.dict[element]['energy'][i-1]) y2 = logf(Scofield1973.dict[element][key][i]) y1 = logf(Scofield1973.dict[element][key][i-1]) slope = (y2 - y1)/(x2 - x1) wi = expf(y1 + slope * (logf(ework) - x1)) if totals: y2 = logf(Scofield1973.dict[element]['total'][i]) y1 = logf(Scofield1973.dict[element]['total'][i-1]) totalPhotoi = expf(y1 + slope * (logf(ework) - x1)) w += [wi] if totals: totalPhoto += [totalPhotoi] if normalize: total = sum(w) for i in range(len(w)): if total > 0.0: w[i] = w[i]/total else: w[i] = 0.0 if totals: return w, totalPhoto else: return w def _getFluorescenceWeights(ele, energy, normalize = None, cascade = None): if normalize is None:normalize = True if cascade is None:cascade = False if sys.version < '3.0': if type(ele) in types.StringTypes: pass else: ele = getsymbol(int(ele)) else: #python 3 if type(ele) == type(" "): #unicode, fine pass elif 'bytes' in str(type(ele)): #bytes object, convert to unicode ele = ele.decode() else: ele = getsymbol(int(ele)) wall = getPhotoWeight(ele,['K','L1','L2','L3','M1','M2','M3','M4','M5','all other'],energy, normalize=True) #weights due to Coster - Kronig transitions #k shell is not affected ck= LShell.getCosterKronig(ele) if cascade and (sum(wall[1:4]) > 0.0) and (wall[0] > 0.0): #l shell (considering holes due to k shell transitions) #I assume that approximately the auger transitions give #single equaly distributed vacancies # I guess this will be better than ignoring them if Element[ele]['omegak'] > 0.001: auger = 0.32 * (1.0 - Element[ele]['omegak']) #assume rest goes to other shells ... cor = [auger, auger + Element[ele]['KL2']['rate'] * Element[ele]['omegak'], auger + Element[ele]['KL3']['rate'] * Element[ele]['omegak']] w = [wall[1]+cor[0] * wall[0], wall[2]+cor[1] * wall[0], wall[3]+cor[2] * wall[0]] else: cor = 0.3 * wall[0] w = [wall[1]+cor, wall[2]+cor, wall[3]+cor] else: #l shell (neglecting holes due to k shell transitions) w = [wall[1], wall[2], wall[3]] w[0] = w[0] w[1] = w[1] + ck['f12'] * w[0] w[2] = w[2] + ck['f13'] * w[0] + ck['f23'] * w[1] wall[1] = w[0] * 1.0 wall[2] = w[1] * 1.0 wall[3] = w[2] * 1.0 #mshell ck= MShell.getCosterKronig(ele) if cascade and (sum(wall[4:]) > 0): cor = [0.0, 0.0, 0.0, 0.0, 0.0] augercor = 0.0 if wall[0] > 0.0: #K shell if 'KM2' in Element[ele]['K xrays']: cor[1] += wall[0] * Element[ele]['KM2']['rate'] * \ Element[ele]['omegak'] if 'KM3' in Element[ele]['K xrays']: cor[2] += wall[0] * Element[ele]['KM3']['rate'] * \ Element[ele]['omegak'] #auger K transitions (5 % total of shells M1, M2, M3) cor[0] += wall[0] * 0.05 * (1.0 - Element[ele]['omegak']) cor[1] += wall[0] * 0.05 * (1.0 - Element[ele]['omegak']) cor[2] += wall[0] * 0.05 * (1.0 - Element[ele]['omegak']) cor[3] += wall[0] * 0.01 * (1.0 - Element[ele]['omegak']) cor[4] += wall[0] * 0.01 * (1.0 - Element[ele]['omegak']) if sum(wall[1:4]) > 0: #L shell #X rays I can take them rigorously mlist = ['M1','M2','M3','M4','M5'] i = 0 #for the auger I take 95% of the value and #equally distribute it among the shells augerfactor = 0.95/ 5.0 augercor = 0.0 for key in ['L1 xrays', 'L2 xrays', 'L3 xrays']: i = i + 1 if i == 1: omega=Element[ele]['omegal1'] auger= 1.0 - omega \ - Element[ele]['CosterKronig']['L']['f12'] \ - Element[ele]['CosterKronig']['L']['f13'] augercor += augerfactor * auger elif i == 2: omega=Element[ele]['omegal2'] auger= 1.0 - omega \ - Element[ele]['CosterKronig']['L']['f23'] augercor += augerfactor * auger elif i == 3: omega=Element[ele]['omegal3'] auger= 1.0 - omega augercor += augerfactor * auger else: print("Error unknown shell, Please report") omega = 0.0 #for the elements #I consider Coster-Kronig for L1 if (i == 1) and (Element[ele]['Z'] >= 80): #f13 is the main transition if Element[ele]['Z'] >= 90: #L1-L3M5 is ~ 40 % #L1-L3M4 is ~ 32 % #rest is other shells cor[3] += 0.32 * wall[1] * \ Element[ele]['CosterKronig']['L']['f13'] cor[4] += 0.43 * wall[1] * \ Element[ele]['CosterKronig']['L']['f13'] if Element[ele]['Z'] > 90: cor[2] += 0.5 * wall[1] * \ Element[ele]['CosterKronig']['L']['f13'] else: #L1-L3M5 is ~ 43 % #L1-L3M4 is ~ 32 % #rest is other shells cor[3] += 0.32 * wall[1] * \ Element[ele]['CosterKronig']['L']['f13'] cor[4] += 0.44 * wall[1] * \ Element[ele]['CosterKronig']['L']['f13'] #L2 elif (i == 2) and (Element[ele]['Z'] >= 90): if Element[ele]['Z'] >= 94: #L2-L3M5 ~ 3 % #L2-L3M4 ~ 50% cor[3] += 0.50 * wall[2] * \ Element[ele]['CosterKronig']['L']['f23'] cor[4] += 0.03 * wall[2] * \ Element[ele]['CosterKronig']['L']['f23'] else: #L2-L3M5 ~ 6 % cor[4] += 0.06 * wall[2] * \ Element[ele]['CosterKronig']['L']['f23'] elif (i==3): #missing pages from article pass if key in Element[ele]: for t in Element[ele][key]: if t[2:] in mlist: index = mlist.index(t[2:]) cor[index] += Element[ele][t]['rate'] * \ wall[i] * omega cor[0] += augercor cor[1] += augercor cor[2] += augercor cor[3] += augercor cor[4] += augercor w = [wall[4]+cor[0], wall[5]+cor[1], wall[6]+cor[2], wall[7]+cor[3], wall[8]+cor[4]] else: w = [wall[4], wall[5], wall[6], wall[7], wall[8]] w[0] = w[0] w[1] = w[1] + ck['f12'] * w[0] w[2] = w[2] + ck['f13'] * w[0] + ck['f23'] * w[1] w[3] = w[3] + ck['f14'] * w[0] + ck['f24'] * w[1] + ck['f34'] * w[2] w[4] = w[4] + ck['f15'] * w[0] + ck['f25'] * w[1] + ck['f35'] * w[2] +\ ck['f45'] * w[3] wall[4] = w[0] * 1.0 wall[5] = w[1] * 1.0 wall[6] = w[2] * 1.0 wall[7] = w[3] * 1.0 wall[8] = w[4] * 1.0 #weights due to omega omega = [ getomegak(ele), getomegal1(ele), getomegal2(ele), getomegal3(ele), getomegam1(ele), getomegam2(ele), getomegam3(ele), getomegam4(ele), getomegam5(ele)] w = wall[0:9] for i in range(len(w)): w[i] *= omega[i] if normalize: cum = sum(w) for i in range(len(w)): if cum > 0.0: w[i] /= cum return w def getEscape(matrix, energy, ethreshold=None, ithreshold=None, nthreshold = None, alphain = None, cascade = None, fluorescencemode=None): """ getEscape(matrixlist, energy, ethreshold=None, ithreshold=None, nthreshold = None, alphain = None) matrixlist is a list of the form [material, density, thickness] energy is the incident beam energy ethreshold is the difference in keV between two peaks to be considered the same ithreshold is the minimum absolute peak intensity to consider nthreshold is maximum number of escape peaks to consider alphain is the incoming beam angle with detector surface It gives back a list of the form [[energy0, intensity0, label0], [energy1, intensity1, label1], .... [energyn, intensityn, labeln]] with the escape energies, intensities and labels """ if alphain is None: alphain = 90.0 if fluorescencemode is None:fluorescencemode = False sinAlphaIn = numpy.sin(alphain * (numpy.pi)/180.) sinAlphaOut = 1.0 elementsList = None if cascade is None:cascade=False if elementsList is None: #get material elements and concentrations eleDict = getMaterialMassFractions([matrix[0]], [1.0]) if eleDict == {}: return {} #sort the elements according to atomic number (not needed because the output will be a dictionnary) keys = eleDict.keys() elementsList = [[getz(x),x] for x in keys] elementsList.sort() #do the job outputDict = {} shelllist = ['K', 'L1', 'L2', 'L3','M1', 'M2', 'M3', 'M4', 'M5'] for z,ele in elementsList: #use own unfiltered dictionnary elementDict = _getUnfilteredElementDict(ele, energy) outputDict[ele] ={} outputDict[ele]['mass fraction'] = eleDict[ele] outputDict[ele]['rates'] = {} #get the fluorescence term for all shells fluoWeights = _getFluorescenceWeights(ele, energy, normalize = False, cascade=cascade) outputDict[ele]['rays'] = elementDict['rays'] * 1 for rays in elementDict['rays']: outputDict[ele][rays] = [] rates = [] energies = [] transitions = elementDict[rays] for transition in transitions: outputDict[ele][rays] += [transition] outputDict[ele][transition]={} outputDict[ele][transition]['rate'] = 0.0 if transition[0] == "K": """ if transition[-1] == 'a': elif transition[-1] == 'b': else: """ rates.append(fluoWeights[0] * elementDict[transition]['rate']) else: rates.append(fluoWeights[shelllist.index(transition[0:2])] * elementDict[transition]['rate']) ene = elementDict[transition]['energy'] energies += [ene] outputDict[ele][transition]['energy'] = ene if ene < 0.0: print("element = ", ele, "transition = ", transition, "exc. energy = ", energy) #matrix term formula = matrix[0] thickness = matrix[1] * matrix[2] energies += [energy] allcoeffs = getMaterialMassAttenuationCoefficients(formula,1.0,energies) mutotal = allcoeffs['total'] #muphoto = allcoeffs['photo'] muphoto = getMaterialMassAttenuationCoefficients(ele,1.0,energy)['photo'] # correct respect to Reed and Ware # because there can be more than one element and # I also weight the mass fraction notalone = (muphoto[-1]/mutotal[-1]) *\ 0.5 * outputDict[ele]['mass fraction'] del energies[-1] i = 0 for transition in transitions: trans = (mutotal[i]/sinAlphaOut)/(mutotal[-1]/sinAlphaIn) trans = notalone * \ (1.0 - trans * numpy.log(1.0 + 1.0/trans)) if thickness > 0.0: #extremely thin case trans0 = notalone * thickness * mutotal[-1]/sinAlphaIn trans = min(trans0, trans) rates[i] *= trans outputDict[ele][transition]['rate'] = rates[i] i += 1 outputDict[ele]['rates'][rays] = sum(rates) #outputDict[ele][rays]= Element[ele]['rays'] * 1 peaklist = [] for key in outputDict: rays = [] if 'M xrays' in outputDict[key]: rays += outputDict[key]['M xrays'] if 'L xrays' in outputDict[key]: rays += outputDict[key]['L xrays'] if 'K xrays' in outputDict[key]: rays += outputDict[key]['K xrays'] for label in rays: if fluorescencemode: peaklist.append([outputDict[key][label]['energy'], outputDict[key][label]['rate'], key+' '+label.replace('*','')]) else: peaklist.append([energy - outputDict[key][label]['energy'], outputDict[key][label]['rate'], key+' '+label.replace('*','')]) return _filterPeaks(peaklist, ethreshold = ethreshold, ithreshold = ithreshold, nthreshold = nthreshold, absoluteithreshold = True, keeptotalrate = False) #return outputDict def _filterPeaks(peaklist, ethreshold = None, ithreshold = None, nthreshold = None, absoluteithreshold=None, keeptotalrate=None): """ Given a list of peaks of the form [[energy0, intensity0, label0], [energy1, intensity1, label1], .... [energyn, intensityn, labeln]] gives back a filtered list of the same form ethreshold -> peaks within that threshold are considered one ithreshold -> intensity threshold relative to maximum unless absoluteithreshold is set to True The total rate is kept unless keeptotal rate is set to false (for instance for the escape peak calculation """ if absoluteithreshold is None:absoluteithreshold=False if keeptotalrate == None: keeptotalrate = True div = [] for i in range(len(peaklist)): if peaklist[i][1] > 0.0: div.append([peaklist[i][0],[peaklist[i][1],peaklist[i][0]],peaklist[i][2]]) #div =[[peaklist[i][0],[peaklist[i][1],peaklist[i][0]],peaklist[i][2]] for i in range(len(peaklist))] div.sort() totalrate = sum([x[1] for x in peaklist]) newpeaks =[div[i][1] for i in range(len(div))] newpeaksnames=[div[i][2] for i in range(len(div))] tojoint=[] deltaonepeak = ethreshold mix = [] if len(newpeaks) > 1: for i in range(len(newpeaks)): #print "i = ",i,"energy = ",newpeaks[i][1], \ # " rate = ",newpeaks[i][0], \ # "name = ",newpeaksnames[i] for j in range(i,len(newpeaks)): if i != j: if abs(newpeaks[i][1]-newpeaks[j][1]) < deltaonepeak: if len(tojoint): if (i in tojoint[-1]) and (j in tojoint[-1]): #print "i and j already there" pass elif (i in tojoint[-1]): #print "i was there" tojoint[-1]+=[j] elif (j in tojoint[-1]): #print "j was there" tojoint[-1]+=[i] else: tojoint.append([i,j]) else: tojoint.append([i,j]) if len(tojoint): mix=[] iDelete = [] for _group in tojoint: rate = 0.0 rateMax = 0.0 for i in _group: rate += newpeaks[i][0] if newpeaks[i][0] > rateMax: rateMax = newpeaks[i][0] iMax = i iDelete += [i] transition = newpeaksnames[iMax] ene = 0.0 for i in _group: ene += newpeaks[i][0] * newpeaks[i][1]/rate mix.append([ene,rate,transition]) iDelete.sort() iDelete.reverse() for i in iDelete: del newpeaks[i] del newpeaksnames[i] output = [] for i in range(len(newpeaks)): output.append([newpeaks[i][1], newpeaks[i][0], newpeaksnames [i]]) for peak in mix: output.append(peak) output.sort() #intensity threshold if len(output) <= 1:return output if ithreshold is not None: imax = max([x[1] for x in output]) if absoluteithreshold: threshold = ithreshold else: threshold = ithreshold * imax for i in range(-len(output)+1,1): if output[i][1] < threshold: del output[i] #number threshold if nthreshold is not None: if nthreshold < len(output): div = [[x[1],x] for x in output] div.sort() div.reverse() div = div[:nthreshold] output = [x[1] for x in div] output.sort() #recover original rates if keeptotalrate: currenttotal = sum([x[1] for x in output]) if currenttotal > 0: totalrate = totalrate/currenttotal output = [[x[0],x[1]*totalrate,x[2]] for x in output] return output def _getAttFilteredElementDict(elementsList, attenuators= None, detector = None, funnyfilters = None, energy = None): if energy is None: energy = 100. if attenuators is None: attenuators = [] if funnyfilters is None: funnyfilters = [] outputDict = {} for group in elementsList: ele = group[1] * 1 if not (ele in outputDict): outputDict[ele] = {} outputDict[ele]['rays'] = [] raysforloop = [group[2] + " xrays"] elementDict = _getUnfilteredElementDict(ele, energy) for rays in raysforloop: if rays not in elementDict:continue else:outputDict[ele]['rays'].append(rays) outputDict[ele][rays] = [] rates = [] energies = [] transitions = elementDict[rays] for transition in transitions: outputDict[ele][rays] += [transition] outputDict[ele][transition]={} ene = elementDict[transition]['energy'] * 1 energies += [ene] rates.append(elementDict[transition]['rate'] * 1.0) outputDict[ele][transition]['energy'] = ene #I do not know if to include this loop in the previous one (because rates are 0.0 sometimes) #attenuators coeffs = numpy.zeros(len(energies), numpy.float) for attenuator in attenuators: formula = attenuator[0] thickness = attenuator[1] * attenuator[2] coeffs += thickness * numpy.array(getMaterialMassAttenuationCoefficients(formula,1.0,energies)['total']) try: trans = numpy.exp(-coeffs) except OverflowError: #deal with underflows reported as overflows trans = numpy.zeros(len(energies), numpy.float) for i in range(len(energies)): coef = coeffs[i] if coef < 0.0: raise ValueError("Positive exponent in attenuators transmission term") else: try: trans[i] = numpy.exp(-coef) except OverflowError: #if we are here we know it is not an overflow and trans[i] has the proper value pass #funnyfilters (only make sense to have more than one if same opening and aligned) coeffs = numpy.zeros(len(energies), numpy.float) funnyfactor = None for attenuator in funnyfilters: formula = attenuator[0] thickness = attenuator[1] * attenuator[2] if funnyfactor is None: funnyfactor = attenuator[3] else: if abs(attenuator[3]-funnyfactor) > 0.0001: raise ValueError("All funny type filters must have same openning fraction") coeffs += thickness * numpy.array(getMaterialMassAttenuationCoefficients(formula,1.0,energies)['total']) if funnyfactor is None: for i in range(len(rates)): rates[i] *= trans[i] else: try: transFunny = funnyfactor * numpy.exp(-coeffs) +\ (1.0 - funnyfactor) except OverflowError: #deal with underflows reported as overflows transFunny = numpy.zeros(len(energies), numpy.float) for i in range(len(energies)): coef = coeffs[i] if coef < 0.0: raise ValueError("Positive exponent in funnyfilters transmission term") else: try: transFunny[i] = numpy.exp(-coef) except OverflowError: #if we are here we know it is not an overflow and trans[i] has the proper value pass transFunny = funnyfactor * transFunny + \ (1.0 - funnyfactor) for i in range(len(rates)): rates[i] *= (trans[i] * transFunny[i]) #detector term if detector is not None: formula = detector[0] thickness = detector[1] * detector[2] coeffs = thickness * numpy.array(getMaterialMassAttenuationCoefficients(formula,1.0,energies)['total']) try: trans = (1.0 - numpy.exp(-coeffs)) except OverflowError: #deal with underflows reported as overflows trans = numpy.ones(len(energies), numpy.float) for i in range(len(energies)): coef = coeffs[i] if coef < 0.0: raise ValueError("Positive exponent in detector transmission term") else: try: trans[i] = 1.0 - numpy.exp(-coef) except OverflowError: #if we are here we know it is not an overflow and trans[i] has the proper value pass for i in range(len(rates)): rates[i] *= trans[i] i = 0 for transition in transitions: outputDict[ele][transition]['rate'] = rates[i] * 1 i += 1 return outputDict def getMultilayerFluorescence(multilayer0, energyList, layerList = None, weightList=None, flagList = None, fulloutput = None, beamfilters = None, elementsList = None, attenuators = None, alphain = None, alphaout = None, cascade = None, detector= None, funnyfilters=None, forcepresent=None, secondary=None): if multilayer0 is None:return [] if secondary is None:secondary=False if len(multilayer0): if type(multilayer0[0]) != type([]): multilayer=[multilayer0 * 1] else: multilayer=multilayer0 * 1 if fulloutput is None:fulloutput = 0 if (type(energyList) != type([])) and \ (type(energyList) != numpy.ndarray): energyList = [energyList] energyList = numpy.array(energyList, dtype=numpy.float) if layerList is None: layerList = list(range(len(multilayer))) if type(layerList) != type([]): layerList = [layerList] if elementsList is not None: if type(elementsList) != type([]): elementsList = [elementsList] if weightList is not None: if (type(weightList) != type([])) and \ (type(weightList) != numpy.ndarray): weightList = [weightList] weightList = numpy.array(weightList, dtype=numpy.float) else: weightList = numpy.ones(len(energyList)).astype(numpy.float) if flagList is not None: if (type(flagList) != type([])) and \ (type(flagList) != numpy.ndarray): flagList = [flagList] flagList = numpy.array(flagList) else: flagList = numpy.ones(len(energyList)).astype(numpy.float) optimized = 0 if beamfilters is None:beamfilters = [] if len(beamfilters): if type(beamfilters[0]) != type([]): beamfilters=[beamfilters] if elementsList is not None: if len(elementsList): if type(elementsList[0]) == type([]): if len(elementsList[0]) == 3: optimized = 1 if attenuators is None:attenuators = [] if beamfilters is None:beamfilters = [] if alphain is None: alphain = 45.0 if alphaout is None: alphaout = 45.0 if alphain >= 0: sinAlphaIn = numpy.sin(alphain * numpy.pi / 180.) else: sinAlphaIn = numpy.sin(-alphain * numpy.pi / 180.) sinAlphaOut = numpy.sin(alphaout * numpy.pi / 180.) origattenuators = attenuators * 1 newbeamfilters = beamfilters * 1 if alphain < 0: ilayerindexes = list(range(len(multilayer))) ilayerindexes.reverse() for ilayer in ilayerindexes: newbeamfilters.append(multilayer[ilayer] * 1) newbeamfilters[-1][2] = newbeamfilters[-1][2]/sinAlphaIn del newbeamfilters[-1] #normalize incoming beam i0 = numpy.nonzero(flagList>0)[0] weightList = numpy.take(weightList, i0).astype(numpy.float) energyList = numpy.take(energyList, i0).astype(numpy.float) flagList = numpy.take(flagList, i0).astype(numpy.float) #normalize selected weights total = sum(weightList) if 0: #old way for beamfilter in beamfilters: formula = beamfilter[0] thickness = beamfilter[1] * beamfilter[2] coeffs = thickness * numpy.array(getMaterialMassAttenuationCoefficients(formula,1.0,energyList)['total']) try: trans = numpy.exp(-coeffs) except OverflowError: for coef in coeffs: if coef < 0.0: raise ValueError("Positive exponent in attenuators transmission term") trans = 0.0 * coeffs weightList = weightList * trans else: pass #new way will be made later #formula = [] #thickness = [] #for beamfilter in newbeamfilters: # formula.append(beamfilter[0] * 1) # thickness.append(beamfilter[1] * beamfilter[2]) #trans = getMaterialTransmission(formula, thickness, energyList, # density=1.0, thickness = sum(thickness))['transmission'] #weightList = weightList * trans if total <= 0.0: raise ValueError("Sum of weights lower or equal to 0") weightList = weightList / total #forcepresent is to set concentration 1 for the fit #useless if elementsList is not given if forcepresent is None:forcepresent=0 forcedElementsList = [] if elementsList is not None: if forcepresent: forcedElementsList = elementsList * 1 keys = [] for ilayer in list(range(len(multilayer))): pseudomatrix = multilayer[ilayer] * 1 eleDict = getMaterialMassFractions([pseudomatrix[0]], [1.0]) keys += eleDict.keys() for ele in keys: todelete = [] for i in list(range(len(forcedElementsList))): group = forcedElementsList[i] if optimized: groupElement = group[1] * 1 else: groupElement = group * 1 if ele == groupElement: todelete.append(i) todelete.reverse() for i in todelete: del forcedElementsList[i] else: forcedElementsList = [] #print "forcedElementsList = ",forcedElementsList #import time #t0 = time.time() result = [] dictListList = [] elementsListFinal = [] for ilayer in list(range(len(multilayer))): dictList = [] if ilayer > 0: #arrange attenuators origattenuators.append(multilayer[ilayer-1] * 1) origattenuators[-1][2] = origattenuators[-1][2]/sinAlphaOut #arrange beamfilters if alphain >= 0: newbeamfilters.append(multilayer[ilayer-1] * 1) newbeamfilters[-1][2] = newbeamfilters[-1][2]/sinAlphaIn else: del newbeamfilters[-1] if 0: print(multilayer[ilayer], "beamfilters =", newbeamfilters) print(multilayer[ilayer], "attenuators =", origattenuators) if ilayer not in layerList:continue pseudomatrix = multilayer[ilayer] * 1 newelementsList = [] eleDict = getMaterialMassFractions([pseudomatrix[0]], [1.0]) if eleDict == {}: raise ValueError("Invalid layer material %s" % pseudomatrix[0]) keys = list(eleDict.keys()) if elementsList is None: newelementsList = keys for key in keys: if key not in elementsListFinal: elementsListFinal.append(key) else: newelementsList = [] if optimized: for ele in keys: for group in elementsList: if ele == group[1]: newelementsList.append(group) else: for ele in keys: for group in elementsList: if ele == group: newelementsList.append(group) for group in forcedElementsList: newelementsList.append(group * 1) if optimized: eleDict[group[1] * 1] = {} eleDict[group[1] * 1] = 1.0 else: eleDict[group * 1] = {} eleDict[group * 1] = 1.0 if not len(newelementsList): dictList.append({}) result.append({}) continue #here I could recalculate the dictionnary if optimized: userElementDict = _getAttFilteredElementDict(newelementsList, attenuators= origattenuators, detector = detector, funnyfilters = funnyfilters, energy = max(energyList)) workattenuators = None workdetector = None workfunnyfilters = None else: userElementDict = None workattenuators = origattenuators * 1 if detector is not None: workdetector = detector * 1 else: workdetector = None if funnyfilters is not None: workfunnyfilters = funnyfilters * 1 else: workfunnyfilters = None newweightlist = numpy.ones(weightList.shape,numpy.float) if len(newbeamfilters): coeffs = numpy.zeros(len(energyList), numpy.float) for beamfilter in newbeamfilters: formula = beamfilter[0] thickness = beamfilter[1] * beamfilter[2] coeffs += thickness * numpy.array(getMaterialMassAttenuationCoefficients(formula,1.0,energyList)['total']) try: trans = numpy.exp(-coeffs) except OverflowError: #deal with underflows reported as overflows trans = numpy.zeros(len(energyList), numpy.float) for i in range(len(energyList)): coef = coeffs[i] if coef < 0.0: raise ValueError("Positive exponent in attenuators transmission term") else: try: trans[i] = numpy.exp(-coef) except OverflowError: #if we are here we know it is not an overflow and trans[i] has the proper value pass newweightlist = weightList * trans else: newweightlist = weightList * 1 #nobody warrants the list ordered if optimized: newelementsListWork = newelementsList * 1 else: newelementsListWork = [newelementsList * 1] matrixmutotalexcitation = getMaterialMassAttenuationCoefficients(pseudomatrix[0], 1.0, energyList)['total'] for justone in newelementsListWork: if optimized: if justone[2].upper()[0] == 'K': shellIdent = 'K' elif len(justone[2]) == 2: shellIdent = justone[2].upper() elif justone[2].upper() == 'L': shellIdent = 'L3' elif justone[2].upper() == 'M': shellIdent = 'M5' else: raise ValueError("Unknown Element shell %s" % justone[2]) bindingEnergy = Element[justone[1]]['binding'][shellIdent] nrgi = numpy.nonzero(energyList >= bindingEnergy)[0] if len(nrgi) == 0:nrgi=[0] justoneList = [justone] matrixmutotalfluorescence = None if len(nrgi) > 1: #calculate all the matrix mass attenuation coefficients #for the fluorescent energies outside the energy loop. #the energy list could also be taken out of this loop. element_energies = [] for item in userElementDict[justone[1]][justone[2]+ " xrays"]: element_energies.append(userElementDict[justone[1]]\ [item]['energy']) matrixmutotalfluorescence = getMaterialMassAttenuationCoefficients(pseudomatrix[0], 1.0, element_energies)['total'] else: matrixmutotalfluorescence = None else: justoneList = justone nrgi = range(len(energyList)) matrixmutotalfluorescence= None for iene in nrgi: energy = energyList[iene] * 1.0 #print "before origattenuators = ",origattenuators dict = getFluorescence(pseudomatrix, energy, attenuators = workattenuators, alphain = alphain, alphaout = alphaout, #elementsList = newelementsList, elementsList = justoneList, cascade = cascade, detector = workdetector, funnyfilters = workfunnyfilters, userElementDict = userElementDict, matrixmutotalfluorescence=matrixmutotalfluorescence, matrixmutotalexcitation=matrixmutotalexcitation[iene]*1.0) #print "after origattenuators = ",origattenuators if optimized: #give back with concentration 1 for ele in dict.keys(): dict[ele]['weight'] = newweightlist[iene] * 1.0 dict[ele]['mass fraction'] = eleDict[ele] * 1.0 else: #already corrected for concentration for ele in dict.keys(): dict[ele]['weight'] = newweightlist[iene] * eleDict[ele] dict[ele]['mass fraction'] = eleDict[ele] * 1.0 #if ele == "Cl":print "dict[ele]['mass fraction'] ",eleDict[ele] dictList.append(dict) #secondary fluorescence term from next layers if secondary: newweightlist2 = newweightlist * 1 for ilayer2 in range(len(multilayer)): if ilayer2 <= ilayer:continue #get beam intensity at the layer pseudomatrix2 = multilayer[ilayer2] * 1 beamfilter = multilayer[ilayer2-1] * 1 formula = beamfilter[0] thickness = beamfilter[1] * beamfilter[2] coeffs = thickness * numpy.array(getMaterialMassAttenuationCoefficients(formula,1.0,energyList)['total']) try: trans = numpy.exp(-coeffs) except OverflowError: #deal with underflows reported as overflows trans = numpy.zeros(len(energyList), numpy.float) for i in range(len(energyList)): coef = coeffs[i] if coef < 0.0: raise ValueError("Positive exponent in attenuators transmission term") else: try: trans[i] = numpy.exp(-coef) except OverflowError: #if we are here we know it is not an overflow and trans[i] has the proper value pass newweightlist2 = newweightlist2 * trans #get beam2 for iene in range(len(energyList)): energy = energyList[iene] * 1.0 escape = getEscape(pseudomatrix2, energy, alphain = alphain, cascade = True, #up to 20 peaks nthreshold = 20, ithreshold = 1.0e-5, ethreshold = 0.010, fluorescencemode=True) if not len(escape):continue energyList2 = [x[0] for x in escape] weightList2 = numpy.array([x[1] for x in escape]) * newweightlist2[iene] #correct for attenuation in intermediate layers!!! weightList3 = 1.0 * weightList2 for ilayer3 in range(len(multilayer)): if ilayer3 >= ilayer2:continue if ilayer3 <= ilayer: continue #I have an intermediate layer beamfilter = multilayer[ilayer3] * 1 formula = beamfilter[0] thickness = beamfilter[1] * beamfilter[2] coeffs = thickness * numpy.array(getMaterialMassAttenuationCoefficients(formula,1.0,energyList2)['total']) try: trans = numpy.exp(-coeffs) except OverflowError: #deal with underflows reported as overflows trans = numpy.zeros(len(energyList2), numpy.float) for i in range(len(energyList2)): coef = coeffs[i] if coef < 0.0: raise ValueError("Positive exponent in attenuators transmission term") else: try: trans[i] = numpy.exp(-coef) except OverflowError: #if we are here we know it is not an overflow and trans[i] has the proper value pass weightList3 = weightList3 * trans for iene2 in range(len(energyList2)): energy = energyList2[iene2] dict2 = getFluorescence(pseudomatrix, energy, attenuators = workattenuators, alphain = -90., alphaout = alphaout, elementsList = newelementsList, cascade = cascade, detector = workdetector, funnyfilters = workfunnyfilters, userElementDict = userElementDict) if optimized: #give back with concentration 1 #for ele in dict.keys(): for ele in dict2.keys(): dict2[ele]['weight'] = weightList3[iene2] * 1.0 dict2[ele]['mass fraction'] = eleDict[ele] * 1.0 else: #already corrected for concentration #for ele in dict.keys(): for ele in dict2.keys(): dict2[ele]['weight'] = weightList3[iene2] * eleDict[ele] dict2[ele]['mass fraction'] = eleDict[ele] * 1.0 dictList.append(dict2) if optimized: pass else: newelementsList = [[getz(x),x] for x in newelementsList] if fulloutput: result.append(_combineMatrixFluorescenceDict(dictList, newelementsList)) dictListList += dictList #print "total elapsed = ",time.time() - t0 if fulloutput: if optimized: return [_combineMatrixFluorescenceDict(dictListList, elementsList)] + result else: newelementsList = [[getz(x),x] for x in (elementsListFinal + forcedElementsList)] return [_combineMatrixFluorescenceDict(dictListList, newelementsList)] +result else: if optimized: return _combineMatrixFluorescenceDict(dictListList, elementsList) else: newelementsList = [[getz(x),x] for x in (elementsListFinal + forcedElementsList)] return _combineMatrixFluorescenceDict(dictListList, newelementsList) def _combineMatrixFluorescenceDict(dictList, elementsList0): finalDict = {} elementsList = [[x[0], x[1]] for x in elementsList0] for z,ele in elementsList: #print ele finalDict[ele] = {} finalDict[ele]['rates'] = {} finalDict[ele]['mass fraction'] = {} finalDict[ele]['rays']=[] for dict in dictList: if not (ele in dict):continue if not len(dict[ele]['rays']):continue finalDict[ele]['mass fraction'] = dict[ele]['mass fraction'] * 1.0 for key in dict[ele]['rates'].keys(): if key not in finalDict[ele]['rates']: if not ('weight' in dict[ele]): dict[ele]['weight']=dict['weight'] * 1.0 finalDict[ele]['rates'][key] = dict[ele]['rates'][key] * dict[ele]['weight'] else: if not ('weight' in dict[ele]): dict[ele]['weight']=dict['weight'] * 1.0 finalDict[ele]['rates'][key] += dict[ele]['rates'][key] * dict[ele]['weight'] for transitions0 in dict[ele]['rays']: #try to avoid creation of new references transitions = transitions0 * 1 if transitions not in dict[ele]['rates'].keys(): continue if transitions not in finalDict[ele]['rays']: finalDict[ele]['rays'].append(transitions) finalDict[ele][transitions] = [] if not (dict[ele]['weight'] > 0.0): continue else: w = dict[ele]['weight'] for transition0 in dict[ele][transitions]: transition = transition0 * 1 #print ele,"transition = ",transition if not (transition in finalDict[ele]): finalDict[ele][transition] = {'rate':0.0, 'energy':dict[ele][transition]['energy'] * 1} if transition not in finalDict[ele][transitions]: finalDict[ele][transitions].append(transition) if transition not in finalDict[ele].keys(): finalDict[ele][transition] = {'rate':0.0} if transition in dict[ele]: if transition in finalDict[ele]: finalDict[ele][transition]['rate'] += w * dict[ele][transition]['rate'] else: finalDict[ele][transition] = {} finalDict[ele][transition]['rate'] = w * dict[ele][transition]['rate'] else: print(dict[ele][transitions]) print(transition) print("is this an error?") sys.exit(0) return finalDict def getScattering(matrix, energy, attenuators = None, alphain = None, alphaout = None, elementsList = None, cascade=None, detector=None): if alphain is None: alphain = 45.0 if alphaout is None: alphaout = 45.0 sinAlphaIn = numpy.sin(alphain * (numpy.pi)/180.) sinAlphaOut = numpy.sin(alphaout * (numpy.pi)/180.) if attenuators is None: attenuators = [] if len(attenuators): if type(attenuators[0]) != type([]): attenuators=[attenuators] if detector is not None: if type(detector) != type([]): raise TypeError("Detector must be a list as [material, density, thickness]") elif len(detector) != 3: raise ValueError("Detector must have the form [material, density, thickness]") if energy is None: raise ValueError("Invalid Energy") if elementsList is None: #get material elements and concentrations eleDict = getMaterialMassFractions([matrix[0]], [1.0]) if eleDict == {}: return {} #sort the elements according to atomic number (not needed because the output will be a dictionnary) keys = eleDict.keys() elementsList = [[getz(x),x] for x in keys] elementsList.sort() else: if (type(elementsList) != type([])) and (type(elementsList) != types.TupleType): elementsList = [elementsList] elementsList = [[getz(x),x] for x in elementsList] elementsList.sort() eleDict = {} for z, ele in elementsList: eleDict[ele] = 1.0 if energy <= 0.10: raise ValueError("Invalid Energy %.5g keV" % energy) #do the job outputDict = {} for z,ele in elementsList: outputDict[ele] ={} outputDict[ele]['mass fraction'] = eleDict[ele] outputDict[ele]['rates'] = {} outputDict[ele]['rays'] = ['Coherent','Compton'] for rays in outputDict[ele]['rays']: theta = alphain + alphaout outputDict[ele][rays] = {} if rays == 'Coherent': outputDict[ele][rays]['energy'] = energy rates=[getElementCoherentDifferentialCrossSection(ele, theta, energy)] else: outputDict[ele][rays]['energy'] = IncoherentScattering.getComptonScatteringEnergy(energy, theta) rates=[getElementComptonDifferentialCrossSection(ele, theta, energy)] ene = outputDict[ele][rays]['energy'] energies =[ene] #I do not know if to include this loop in the previous one (because rates are 0.0 sometimes) #attenuators for attenuator in attenuators: formula = attenuator[0] thickness = attenuator[1] * attenuator[2] coeffs = thickness * numpy.array(getMaterialMassAttenuationCoefficients(formula,1.0,energies)['total']) try: trans = numpy.exp(-coeffs) except OverflowError: #deal with underflows reported as overflows trans = numpy.zeros(len(energies), numpy.float) for i in range(len(energies)): coef = coeffs[i] if coef < 0.0: raise ValueError("Positive exponent in attenuators transmission term") else: try: trans[i] = numpy.exp(-coef) except OverflowError: #if we are here we know it is not an overflow and trans[i] has the proper value pass trans = trans for i in range(len(rates)): rates[i] *= trans[i] #detector term if detector is not None: formula = detector[0] thickness = detector[1] * detector[2] coeffs = thickness * numpy.array(getMaterialMassAttenuationCoefficients(formula,1.0,energies)['total']) try: trans = (1.0 - numpy.exp(-coeffs)) except OverflowError: #deal with underflows reported as overflows trans = numpy.ones(len(rates), numpy.float) for i in range(len(rates)): coef = coeffs[i] if coef < 0.0: raise ValueError("Positive exponent in attenuators transmission term") else: try: trans[i] = 1.0 - numpy.exp(-coef) except OverflowError: #if we are here we know it is not an overflow and trans[i] has the proper value pass for i in range(len(rates)): rates[i] *= trans[i] #matrix term formula = matrix[0] thickness = matrix[1] * matrix[2] energies += [energy] allcoeffs = getMaterialMassAttenuationCoefficients(formula,1.0,energies) mutotal = allcoeffs['total'] del energies[-1] i = 0 if 1: #thick target term trans = outputDict[ele]['mass fraction'] * 1.0/(mutotal[-1] + mutotal[i] * (sinAlphaIn/sinAlphaOut)) #correction term if thickness > 0.0: if abs(sinAlphaIn) > 0.0: try: expterm = numpy.exp(-((mutotal[-1]/sinAlphaIn) +(mutotal[i]/sinAlphaOut)) * thickness) except OverflowError: if -((mutotal[-1]/sinAlphaIn) +(mutotal[i]/sinAlphaOut)) * thickness > 0.0: raise ValueError("Positive exponent in transmission term") expterm = 0.0 trans *= (1.0 - expterm) #if ele == 'Pb': # oldRatio.append(newpeaks[i][0]) # print "energy = %.3f ratio=%.5f transmission = %.5g final=%.5g" % (newpeaks[i][1], newpeaks[i][0],trans,trans * newpeaks[i][0]) rates[i] *= trans outputDict[ele][rays]['rate'] = rates[i] outputDict[ele]['rates'][rays] = sum(rates) #outputDict[ele][rays]= Element[ele]['rays'] * 1 return outputDict def getFluorescence(matrix, energy, attenuators = None, alphain = None, alphaout = None, elementsList = None, cascade=None, detector=None, funnyfilters=None, userElementDict=None, matrixmutotalfluorescence=None, matrixmutotalexcitation=None): """ getFluorescence(matrixlist, energy, attenuators = None, alphain = None, alphaout = None, elementsList = None, cascade=None, detector=None) matrixlist is a list of the form [material, density, thickness] energy is the incident beam energy attenuators is a list of the form [[material1, density1, thickness1],....] alphain is the incoming beam angle with sample surface alphaout is the outgoing beam angle with sample surface if a given elements list is given, the fluorescence rate will be calculated for ONLY for those elements without taking into account if they are present in the matrix and considering a mass fraction of 1 to all of them. This should allow a program to fit directly concentrations. cascade is a flag to consider vacancy propagation (it is a crude approximation) detector is just one attenuator more but treated as (1 - Transmission) [material, density, thickness] These formulae are strictly valid only for parallel beams. Needs to be corrected for detector efficiency (at least solid angle) and incoming intensity. Secondary transitions are neglected. """ if alphain is None: alphain = 45.0 if alphaout is None: alphaout = 45.0 if userElementDict is None:userElementDict = {} bottomExcitation = False if (alphain < 0.0) and (alphaout < 0.0): #it is the same sinAlphaIn = numpy.sin(-alphain * (numpy.pi)/180.) sinAlphaOut = numpy.sin(-alphaout * (numpy.pi)/180.) elif (alphain < 0.0) and (alphaout > 0.0): #bottom excitation #print "bottom excitation case" bottomExcitation = True sinAlphaIn = numpy.sin(-alphain * (numpy.pi)/180.) sinAlphaOut = numpy.sin(alphaout * (numpy.pi)/180.) else: sinAlphaIn = numpy.sin(alphain * (numpy.pi)/180.) sinAlphaOut = numpy.sin(alphaout * (numpy.pi)/180.) if cascade is None:cascade=False if attenuators is None: attenuators = [] if len(attenuators): if type(attenuators[0]) != type([]): attenuators=[attenuators] if funnyfilters is None: funnyfilters = [] if len(funnyfilters): if type(funnyfilters[0]) != type([]): funnyfilters=[funnyfilters] if detector is not None: if type(detector) != type([]): raise TypeError(\ "Detector must be a list as [material, density, thickness]") elif len(detector) != 3: raise ValueError(\ "Detector must have the form [material, density, thickness]") if energy is None: raise ValueError("Invalid Energy") elementsRays = None if elementsList is None: #get material elements and concentrations eleDict = getMaterialMassFractions([matrix[0]], [1.0]) if eleDict == {}: return {} #sort the elements according to atomic number #(not needed because the output will be a dictionnary) keys = eleDict.keys() elementsList = [[getz(x),x] for x in keys] elementsList.sort() else: if (type(elementsList) != type([])) and\ (type(elementsList) != types.TupleType): elementsList = [elementsList] if len(elementsList[0]) == 3: raysforloopindex = 0 elementsList.sort() elementsRays = [x[2] for x in elementsList] elementsList = [[x[0],x[1]] for x in elementsList] else: elementsList = [[getz(x),x] for x in elementsList] elementsList.sort() eleDict = {} for z, ele in elementsList: eleDict[ele] = 1.0 if energy <= 0.10: raise ValueError("Invalid Energy %.5g keV" % energy) #do the job outputDict = {} shelllist = ['K', 'L1', 'L2', 'L3','M1', 'M2', 'M3', 'M4', 'M5'] for z,ele in elementsList: #use own unfiltered dictionnary if ele in userElementDict: elementDict = userElementDict[ele] else: elementDict = _getUnfilteredElementDict(ele, energy) if not (ele in outputDict): outputDict[ele] ={} outputDict[ele]['mass fraction'] = eleDict[ele] if not ('rates' in outputDict[ele]): outputDict[ele]['rates'] = {} #get the fluorescence term for all shells fluoWeights = _getFluorescenceWeights(ele, energy, normalize = False, cascade=cascade) outputDict[ele]['rays'] = elementDict['rays'] * 1 if elementsRays is None: raysforloop = elementDict['rays'] else: if type(elementsRays[raysforloopindex]) != type([]): raysforloop = [elementsRays[raysforloopindex] + " xrays"] else: raysforloop = [] for item in elementsRays[raysforloopindex]: raysforloop.append(item + " xrays") raysforloopindex +=1 for rays in raysforloop: if rays not in elementDict['rays']:continue outputDict[ele][rays] = [] rates = [] energies = [] transitions = elementDict[rays] for transition in transitions: outputDict[ele][rays] += [transition] outputDict[ele][transition]={} outputDict[ele][transition]['rate'] = 0.0 if transition[0] == "K": rates.append(fluoWeights[0] * elementDict[transition]['rate']) else: rates.append(fluoWeights[shelllist.index(transition[0:2])] * elementDict[transition]['rate']) ene = elementDict[transition]['energy'] energies += [ene] outputDict[ele][transition]['energy'] = ene #I do not know if to include this loop in the previous one (because rates are 0.0 sometimes) #attenuators coeffs = numpy.zeros(len(energies), numpy.float) for attenuator in attenuators: formula = attenuator[0] thickness = attenuator[1] * attenuator[2] coeffs += thickness * numpy.array(getMaterialMassAttenuationCoefficients(formula,1.0,energies)['total']) try: trans = numpy.exp(-coeffs) except OverflowError: for coef in coeffs: if coef < 0.0: raise ValueError("Positive exponent in attenuators transmission term") trans = 0.0 * coeffs #funnyfilters coeffs = numpy.zeros(len(energies), numpy.float) funnyfactor = None for attenuator in funnyfilters: formula = attenuator[0] thickness = attenuator[1] * attenuator[2] if funnyfactor is None: funnyfactor = attenuator[3] else: if abs(attenuator[3] - funnyfactor) > 0.0001: raise ValueError(\ "All funny type filters must have same openning fraction") coeffs += thickness * numpy.array(getMaterialMassAttenuationCoefficients(formula,1.0,energies)['total']) if funnyfactor is None: for i in range(len(rates)): rates[i] *= trans[i] else: try: transFunny = funnyfactor * numpy.exp(-coeffs) +\ (1.0 - funnyfactor) except OverflowError: #deal with underflows reported as overflows transFunny = numpy.zeros(len(energies), numpy.float) for i in range(len(energies)): coef = coeffs[i] if coef < 0.0: raise ValueError(\ "Positive exponent in funnyfilters transmission term") else: try: transFunny[i] = numpy.exp(-coef) except OverflowError: #if we are here we know it is not an overflow and trans[i] has the proper value pass transFunny = funnyfactor * transFunny + \ (1.0 - funnyfactor) for i in range(len(rates)): rates[i] *= (trans[i] * transFunny[i]) #detector term if detector is not None: formula = detector[0] thickness = detector[1] * detector[2] coeffs = thickness * numpy.array(getMaterialMassAttenuationCoefficients(formula,1.0,energies)['total']) try: trans = (1.0 - numpy.exp(-coeffs)) except OverflowError: #deal with underflows reported as overflows trans = numpy.ones(len(rates), numpy.float) for i in range(len(rates)): coef = coeffs[i] if coef < 0.0: raise ValueError(\ "Positive exponent in attenuators transmission term") else: try: trans[i] = 1.0 - numpy.exp(-coef) except OverflowError: #if we are here we know it is not an overflow and trans[i] has the proper value pass for i in range(len(rates)): rates[i] *= trans[i] #matrix term formula = matrix[0] thickness = matrix[1] * matrix[2] energies += [energy] if matrixmutotalfluorescence is None: allcoeffs = getMaterialMassAttenuationCoefficients(formula,1.0,energies) mutotal = allcoeffs['total'] else: mutotal = matrixmutotalfluorescence * 1 if matrixmutotalexcitation is None: mutotal.append(getMaterialMassAttenuationCoefficients(formula, 1.0, energy)['total'][0]) else: mutotal.append(matrixmutotalexcitation) #muphoto = allcoeffs['photo'] muphoto = getMaterialMassAttenuationCoefficients(ele,1.0,energy)['photo'] del energies[-1] i = 0 for transition in transitions: #thick target term if rates[i] <= 0.0:trans=0.0 else: if bottomExcitation: denominator = (mutotal[-1] - mutotal[i] * (sinAlphaIn/sinAlphaOut)) if denominator == 0.0: trans = thickness/sinAlphaIn trans = -outputDict[ele]['mass fraction'] *\ muphoto[-1] * trans *\ numpy.exp(-trans*mutotal[-1]) else: trans = -outputDict[ele]['mass fraction'] *\ muphoto[-1]/denominator #correction term if thickness > 0.0: try: expterm = numpy.exp(-(mutotal[-1]/sinAlphaIn) * thickness) -\ numpy.exp(-(mutotal[i]/sinAlphaOut) * thickness) except OverflowError: #print "overflow" if ((-(mutotal[-1]/sinAlphaIn) * thickness) > 0.0) or\ ((-(mutotal[i]/sinAlphaOut) * thickness) > 0.0): raise ValueError("Positive exponent in transmission term") expterm = 0.0 trans *= expterm else: raise ValueError("Incorrect target density and/or thickness") if trans < 0.0: print("trans lower than 0.0. Reset to 0.0") trans = 0.0 else: trans = outputDict[ele]['mass fraction'] *\ muphoto[-1]/(mutotal[-1] + mutotal[i] * (sinAlphaIn/sinAlphaOut)) #correction term if thickness > 0.0: if abs(sinAlphaIn) > 0.0: try: expterm = numpy.exp(-((mutotal[-1]/sinAlphaIn) +(mutotal[i]/sinAlphaOut)) * thickness) except OverflowError: #print "overflow" if -((mutotal[-1]/sinAlphaIn) +(mutotal[i]/sinAlphaOut)) * thickness > 0.0: raise ValueError(\ "Positive exponent in transmission term") expterm = 0.0 trans *= (1.0 - expterm) #if ele == 'Pb': # oldRatio.append(newpeaks[i][0]) # print "energy = %.3f ratio=%.5f transmission = %.5g final=%.5g" % (newpeaks[i][1], newpeaks[i][0],trans,trans * newpeaks[i][0]) rates[i] *= trans outputDict[ele][transition]['rate'] = rates[i] i += 1 outputDict[ele]['rates'][rays] = sum(rates) #outputDict[ele][rays]= Element[ele]['rays'] * 1 return outputDict def getLWeights(ele,energy=None, normalize = None, shellist = None): if normalize is None:normalize = True if shellist is None: shellist = ['L1', 'L2', 'L3'] if type(ele) == type(" "): pass else: ele = getsymbol(int(ele)) if energy is None: #Use the L shell jumps w = getLJumpWeight(ele,excitedshells=[1.0,1.0,1.0]) #weights due to Coster Kronig transitions and fluorescence yields ck= LShell.getCosterKronig(ele) w[0] = w[0] w[1] = w[1] + ck['f12'] * w[0] w[2] = w[2] + ck['f13'] * w[0] + ck['f23'] * w[1] omega = [ getomegal1(ele), getomegal2(ele), getomegal3(ele)] for i in range(len(w)): w[i] *= omega[i] else: #Take into account the cascade as in the getFluorescence method #The PyMCA fit was already using that when there was a matrix but #it was not shown in the Elements Info window. allweights = _getFluorescenceWeights(ele, energy, normalize = False, cascade = True) w = allweights[1:4] if normalize: cum = sum(w) if cum > 0.0: for i in range(len(w)): w[i] /= cum return w def getMWeights(ele,energy=None, normalize = None, shellist = None): if normalize is None:normalize = True if shellist is None: shellist = ['M1', 'M2', 'M3', 'M4', 'M5'] if type(ele) == type(" "): pass else: ele = getsymbol(int(ele)) if energy is None: w = getMJumpWeight(ele,excitedshells=[1.0,1.0,1.0,1.0,1.0]) #weights due to Coster Kronig transitions and fluorescence yields ck= MShell.getCosterKronig(ele) w[0] = w[0] w[1] = w[1] + ck['f12'] * w[0] w[2] = w[2] + ck['f13'] * w[0] + ck['f23'] * w[1] w[3] = w[3] + ck['f14'] * w[0] + ck['f24'] * w[1] + ck['f34'] * w[2] w[4] = w[4] + ck['f15'] * w[0] + ck['f25'] * w[1] + ck['f35'] * w[2] + ck['f45'] * w[3] omega = [ getomegam1(ele), getomegam2(ele), getomegam3(ele), getomegam4(ele), getomegam5(ele)] for i in range(len(w)): w[i] *= omega[i] else: #Take into account the cascade as in the getFluorescence method #The PyMCA fit was already using that when there was a matrix but #it was not shown in the Elements Info window. allweights = _getFluorescenceWeights(ele, energy, normalize = False, cascade = True) w = allweights[4:9] if normalize: cum = sum(w) for i in range(len(w)): if cum > 0.0: w[i] /= cum return w def getxrayenergy(symbol,transition): if len(symbol) > 1: ele = symbol[0].upper() + symbol[1].lower() else: ele = symbol.upper() trans = transition.upper() z = getz(ele) if z > len(ElementBinding): #Give the bindings of the last element energies = ElementBinding[-1] else: energies = ElementBinding[z-1] if len(trans) == 2: trans=trans[0:2]+'2' if trans[0:1] == 'K': i=1 emax = energies[ElementShells.index('K')+1] elif trans[0:2] in ElementShells: i=2 emax = energies[ElementShells.index(trans[0:2])+1] else: #print transition #print "Shell %s not in Element %s Shells" % (trans[0:2], ele) return -1 if trans[i:i+2] in ElementShells: emin = energies[ElementShells.index(trans[i:i+2])+1] else: if (z > 80) and (trans[i:i+2] == "Q1"): emin = 0.003 else: #print "HERE ",trans[i:i+2],transition,z #print "Final shell %s not in Element %s Shells" % (trans[i:i+1], ele) return -1 if emin > emax: if z != 13: print("Warning, negative energy!") print("Please report this message:") print("Symbol=",symbol) print("emin = ",emin) print("emax = ",emax) print("z = ",z) print("transition = ",transition) print("the transition will be ignored") return emax - emin def isValidFormula(compound): #Avoid Fe 2 or Fe-2 or SRM-1832 being considered as valid formulae for c in [" ", "-", "_"]: if c in compound: return False #single element case if compound in Element.keys():return True try: elts= [ w for w in re.split('[0-9]', compound) if w != '' ] nbs= [ int(w) for w in re.split('[a-zA-Z]', compound) if w != '' ] except: return False if len(elts)==1 and len(nbs)==0: if type(elts) == type([]): return False if elts in Element.keys(): return True else: return False if (len(elts)==0 and len(nbs)==0) or (len(elts) != len(nbs)):return False return True def isValidMaterial(compound): if compound in Material.keys():return True elif isValidFormula(compound):return True else:return False def getMaterialKey(compound): matkeys = Material.keys() if compound in matkeys:return compound compoundHigh = compound.upper() matkeysHigh = [] for key in matkeys: matkeysHigh.append(key.upper()) if compoundHigh in matkeysHigh: index = matkeysHigh.index(compoundHigh) return matkeys[index] return None def getmassattcoef(compound, energy=None): """ Usage: getmassattcoef(element symbol/composite, energy in kev) Computes mass attenuation coefficients for a single element or a compound. It gets the info from files generated by XCOM If energy is not given, it gives back a dictionary with the form: dict['energy'] = [energies] dict['coherent'] = [coherent scattering cross section(energies)] dict['compton'] = [incoherent scattering cross section(energies)] dict['photo'] = [photoelectic effect cross section(energies)] dict['pair'] = [pair production cross section(energies)] dict['total'] = [total cross section] A compound is defined with a string as follow: 'C22H10N2O5' means 22 * C, 10 * H, 2 * N, 5 * O xsection = SUM(xsection(zi)*ni*ai) / SUM(ai*ni) zi = Z of each element ni = number of element zi ai = atomic weight of element zi Result in cm2/g """ #single element case if compound in Element.keys(): return getelementmassattcoef(compound,energy) elts= [ w for w in re.split('[0-9]', compound) if w != '' ] nbs= [ int(w) for w in re.split('[a-zA-Z]', compound) if w != '' ] if len(elts)==1 and len(nbs)==0: if elts in Element.keys(): return getelementmassattcoef(compound,energy) else: return {} if (len(elts)==0 and len(nbs)==0) or (len(elts) != len(nbs)): return {} fraction = [Element[elt]['mass'] *nb for (elt, nb) in zip(elts, nbs) ] div = sum(fraction) fraction = [x/div for x in fraction] #print "fraction = ",fraction ddict={} ddict['energy'] = [] ddict['coherent'] = [] ddict['compton'] = [] ddict['photo'] = [] ddict['pair'] = [] ddict['total'] = [] eltindex = 0 if energy is None: energy=[] for ele in elts: xcom_data = getelementmassattcoef(ele,None)['energy'] for ene in xcom_data: if ene not in energy: energy.append(ene) energy.sort() for ele in elts: xcom_data = getelementmassattcoef(ele,None) #now I have to interpolate at the different energies if not hasattr(energy, "__len__"): energy =[energy] eneindex = 0 for ene in energy: if ene < 1.0: if PyMcaEPDL97.EPDL97_DICT[ele]['original']: #make sure the binding energies are those used by this module and not EADL ones PyMcaEPDL97.setElementBindingEnergies(ele, Element[ele]['binding']) tmpDict = PyMcaEPDL97.getElementCrossSections(ele, ene) cohe = tmpDict['coherent'][0] comp = tmpDict['compton'][0] photo = tmpDict['photo'][0] pair = 0.0 else: i0=max(numpy.nonzero(xcom_data['energy'] <= ene)[0]) i1=min(numpy.nonzero(xcom_data['energy'] >= ene)[0]) if (i1 == i0) or (i0>i1): cohe=xcom_data['coherent'][i1] comp=xcom_data['compton'][i1] photo=xcom_data['photo'][i1] pair=xcom_data['pair'][i1] else: if LOGLOG: A=xcom_data['energylog10'][i0] B=xcom_data['energylog10'][i1] logene = numpy.log10(ene) c2=(logene-A)/(B-A) c1=(B-logene)/(B-A) else: A=xcom_data['energy'][i0] B=xcom_data['energy'][i1] c2=(ene-A)/(B-A) c1=(B-ene)/(B-A) cohe= pow(10.0,c2*xcom_data['coherentlog10'][i1]+\ c1*xcom_data['coherentlog10'][i0]) comp= pow(10.0,c2*xcom_data['comptonlog10'][i1]+\ c1*xcom_data['comptonlog10'][i0]) photo=pow(10.0,c2*xcom_data['photolog10'][i1]+\ c1*xcom_data['photolog10'][i0]) if xcom_data['pair'][i1] > 0.0: c2 = c2*numpy.log10(xcom_data['pair'][i1]) if xcom_data['pair'][i0] > 0.0: c1 = c1*numpy.log10(xcom_data['pair'][i0]) pair = pow(10.0,c1+c2) else: pair =0.0 else: pair =0.0 if eltindex == 0: ddict['energy'].append(ene) ddict['coherent'].append(cohe *fraction[eltindex]) ddict['compton'].append(comp *fraction[eltindex]) ddict['photo'].append(photo *fraction[eltindex]) ddict['pair'].append(pair*fraction[eltindex]) ddict['total'].append((cohe+comp+photo+pair)*fraction[eltindex]) else: ddict['coherent'][eneindex] += cohe *fraction[eltindex] ddict['compton'] [eneindex] += comp *fraction[eltindex] ddict['photo'] [eneindex] += photo *fraction[eltindex] ddict['pair'] [eneindex] += pair *fraction[eltindex] ddict['total'] [eneindex] += (cohe+comp+photo+pair) * fraction[eltindex] eneindex += 1 eltindex += 1 return ddict def __materialInCompoundList(lst): for item in lst: if item in Material.keys(): return True return False def getMaterialTransmission(compoundList0, fractionList0, energy0 = None, density=None, thickness=None, listoutput=True): """ Usage: getMaterialTransmission(compoundList, fractionList, energy = None, density=None, thickness=None): Input compoundlist - List of elements, compounds or materials fractionlist - List of floats indicating the amount of respective material energy - Photon energy (it can be a list) density - Density in g/cm3 (default is 1.0) thickness - Thickness in cm (default is 1.0) The product density * thickness has to be in g/cm2 Output Detailed dictionary. """ if density is None: density = 1.0 if thickness is None: thickness = 1.0 dict = getMaterialMassAttenuationCoefficients(compoundList0, fractionList0, energy0) energy = numpy.array(dict['energy'],numpy.float) mu = numpy.array(dict['total'],numpy.float) * density * thickness if energy0 is not None: if type(energy0) != type([]): listoutput = False if listoutput: dict['energy'] = energy.tolist() dict['density'] = density dict['thickness'] = thickness dict['transmission'] = numpy.exp(-mu).tolist() else: dict['energy'] = energy dict['density'] = density dict['thickness'] = thickness dict['transmission'] = numpy.exp(-mu) return dict def getMaterialMassFractions(compoundList0, fractionList0): return getMaterialMassAttenuationCoefficients(compoundList0, fractionList0, None, massfractions=True) def getMaterialMassAttenuationCoefficients(compoundList0, fractionList0, energy0 = None,massfractions=False): """ Usage: getMaterialMassAttenuationCoefficients(compoundList, fractionList, energy = None,massfractions=False) compoundList - List of compounds into the material fractionList - List of masses of each compound energy - Energy at which the values are desired massfractions- Flag to supply mass fractions on output """ if type(compoundList0) != type([]): compoundList = [compoundList0] else: compoundList = compoundList0 if type(fractionList0) == numpy.ndarray: fractionList = fractionList0.tolist() elif type(fractionList0) != type([]): fractionList = [fractionList0] else: fractionList = fractionList0 fractionList = [float(x) for x in fractionList] while __materialInCompoundList(compoundList): total=sum(fractionList) compoundFractionList = [x/total for x in fractionList] #allow materials in compoundList newcompound = [] newfraction = [] deleteitems = [] for compound in compoundList: if compound in Material.keys(): if type(Material[compound]['CompoundList']) != type([]): Material[compound]['CompoundList']=[Material[compound]['CompoundList']] if type(Material[compound]['CompoundFraction']) != type([]): Material[compound]['CompoundFraction']=[Material[compound]['CompoundFraction']] Material[compound]['CompoundFraction'] = [float(x) for x in Material[compound]['CompoundFraction']] total = sum(Material[compound]['CompoundFraction']) j = compoundList.index(compound) compoundfraction = fractionList[j] i = 0 for item in Material[compound]['CompoundList']: newcompound.append(item) newfraction.append(Material[compound]['CompoundFraction'][i] * compoundfraction /total) i += 1 deleteitems.append(j) if len(deleteitems): deleteitems.reverse() for i in deleteitems: del compoundList[i] del fractionList[i] for i in range(len(newcompound)): compoundList.append(newcompound[i]) fractionList.append(newfraction[i]) total=sum(fractionList) compoundFractionList = [float(x)/total for x in fractionList] materialElements = {} energy = energy0 if energy0 is not None: if type(energy0) == type(2.): energy = [energy0] elif type(energy0) == type(1): energy = [1.0 * energy0] elif type(energy0) == numpy.ndarray: energy = energy0.tolist() for compound in compoundList: elts=[] #get energy list if compound in Element.keys(): elts=[compound] nbs =[1] else: elts= [ w for w in re.split('[0-9]', compound) if w != '' ] try: nbs= [ int(w) for w in re.split('[a-zA-Z]', compound) if w != '' ] except: raise ValueError("Compound '%s' not understood" % compound) if len(elts)==1 and len(nbs)==0: elts=[compound] nbs =[1] if (len(elts)==0 and len(nbs)==0) or (len(elts) != len(nbs)): print("compound %s not understood" % compound) raise ValueError("compound %s not understood" % compound) #the proportion of the element in that compound times the compound fraction fraction = [Element[elt]['mass'] *nb for (elt, nb) in zip(elts, nbs) ] div = compoundFractionList[compoundList.index(compound)]/sum(fraction) fraction = [x * div for x in fraction] if energy is None: #get energy list energy = [] for ele in elts: xcom_data = getelementmassattcoef(ele,None)['energy'] for ene in xcom_data: if ene not in energy: energy.append(ene) for ele in elts: if ele not in materialElements.keys(): materialElements[ele] = fraction[elts.index(ele)] else: materialElements[ele] += fraction[elts.index(ele)] if massfractions == True: return materialElements if energy0 is None: energy.sort() #I have the energy grid, the elements and their fractions dict={} dict['energy'] = [] dict['coherent'] = [] dict['compton'] = [] dict['photo'] = [] dict['pair'] = [] dict['total'] = [] eltindex = 0 for ele in materialElements.keys(): if 'xcom' in Element[ele]: xcom_data = Element[ele]['xcom'] else: xcom_data = getelementmassattcoef(ele,None) #now I have to interpolate at the different energies if (type(energy) != type([])): energy =[energy] eneindex = 0 for ene in energy: if ene < 1.0: if PyMcaEPDL97.EPDL97_DICT[ele]['original']: #make sure the binding energies are those used by this module and not EADL ones PyMcaEPDL97.setElementBindingEnergies(ele, Element[ele]['binding']) tmpDict = PyMcaEPDL97.getElementCrossSections(ele, ene) cohe = tmpDict['coherent'][0] comp = tmpDict['compton'][0] photo = tmpDict['photo'][0] pair = 0.0 else: i0=max(numpy.nonzero(xcom_data['energy'] <= ene)[0]) i1=min(numpy.nonzero(xcom_data['energy'] >= ene)[0]) if (i1 == i0) or (i0>i1): cohe=xcom_data['coherent'][i1] comp=xcom_data['compton'][i1] photo=xcom_data['photo'][i1] pair=xcom_data['pair'][i1] else: if LOGLOG: A=xcom_data['energylog10'][i0] B=xcom_data['energylog10'][i1] logene = numpy.log10(ene) c2=(logene-A)/(B-A) c1=(B-logene)/(B-A) else: A=xcom_data['energy'][i0] B=xcom_data['energy'][i1] c2=(ene-A)/(B-A) c1=(B-ene)/(B-A) cohe= pow(10.0,c2*xcom_data['coherentlog10'][i1]+\ c1*xcom_data['coherentlog10'][i0]) comp= pow(10.0,c2*xcom_data['comptonlog10'][i1]+\ c1*xcom_data['comptonlog10'][i0]) photo=pow(10.0,c2*xcom_data['photolog10'][i1]+\ c1*xcom_data['photolog10'][i0]) if xcom_data['pair'][i1] > 0.0: c2 = c2*numpy.log10(xcom_data['pair'][i1]) if xcom_data['pair'][i0] > 0.0: c1 = c1*numpy.log10(xcom_data['pair'][i0]) pair = pow(10.0,c1+c2) else: pair =0.0 else: pair =0.0 if eltindex == 0: dict['energy'].append(ene) dict['coherent'].append(cohe * materialElements[ele]) dict['compton'].append(comp * materialElements[ele]) dict['photo'].append(photo * materialElements[ele]) dict['pair'].append(pair* materialElements[ele]) dict['total'].append((cohe+comp+photo+pair)* materialElements[ele]) else: dict['coherent'][eneindex] += cohe * materialElements[ele] dict['compton'] [eneindex] += comp * materialElements[ele] dict['photo'] [eneindex] += photo * materialElements[ele] dict['pair'] [eneindex] += pair * materialElements[ele] dict['total'] [eneindex] += (cohe+comp+photo+pair) * materialElements[ele] eneindex += 1 eltindex += 1 return dict def getcandidates(energy,threshold=None,targetrays=None): if threshold is None: threshold = 0.010 if targetrays is None: targetrays=['K', 'L1', 'L2', 'L3', 'M'] if type(energy) != type([]): energy = [energy] if type(targetrays) != type([]): targetrays = [targetrays] #K lines lines ={} index = 0 for ene in energy: lines[index] = {'energy':ene, 'elements':[]} for ele in ElementList: for ray in targetrays: rays = ray + " xrays" if 'rays' in Element[ele]: for transition in Element[ele][rays]: e = Element[ele][transition]['energy'] r = Element[ele][transition]['rate'] if abs(ene-e) < threshold: if ele not in lines[index]['elements']: lines[index]['elements'].append(ele) lines[index][ele]=[] lines[index][ele].append([transition, e, r]) index += 1 return lines def getElementFormFactor(ele, theta, energy): if ele in CoherentScattering.COEFFICIENTS.keys(): return CoherentScattering.getElementFormFactor(ele, theta, energy) else: try: z = int(ele) ele = getsymbol(z) return CoherentScattering.getElementFormFactor(ele, theta, energy) except: raise ValueError("Unknown element %s" % ele) def getElementCoherentDifferentialCrossSection(ele, theta, energy, p1=None): #if ele in CoherentScattering.COEFFICIENTS.keys(): if ele in ElementList: value=CoherentScattering.\ getElementCoherentDifferentialCrossSection(ele, theta, energy, p1) else: try: z = int(ele) ele = getsymbol(z) value=CoherentScattering.\ getElementCoherentDifferentialCrossSection(ele, theta, energy, p1) except: raise ValueError("Unknown element %s" % ele) #convert from cm2/atom to cm2/g return (value * AVOGADRO_NUMBER)/ Element[ele]['mass'] def getElementIncoherentScatteringFunction(ele, theta, energy): if ele in ElementList: value = IncoherentScattering.\ getElementIncoherentScatteringFunction(ele, theta, energy) else: try: z = int(ele) ele = getsymbol(z) value = IncoherentScattering.\ getElementIncoherentScatteringFunction(ele, theta, energy) except: raise ValueError("Unknown element %s" % ele) return value def getElementComptonDifferentialCrossSection(ele, theta, energy, p1=None): if ele in ElementList: value = IncoherentScattering.\ getElementComptonDifferentialCrossSection(ele, theta, energy, p1) else: try: z = int(ele) ele = getsymbol(z) value = IncoherentScattering.\ getElementComptonDifferentialCrossSection(ele, theta, energy, p1) except: raise ValueError("Unknown element %s" % ele) return (value * 6.022142E23)/ Element[ele]['mass'] def getelementmassattcoef(ele,energy=None): """ Usage: getelementmassattcoef(element symbol, energy in kev) It gets the info from files generated by XCOM If energy is not given, it gives back a dictionary with the form: dict['energy'] = [energies] dict['coherent'] = [coherent scattering cross section(energies)] dict['compton'] = [incoherent scattering cross section(energies)] dict['photo'] = [photoelectic effect cross section(energies)] dict['pair'] = [pair production cross section(energies)] dict['total'] = [total cross section] """ if 'xcom' not in Element[ele].keys(): dirmod = PyMcaDataDir.PYMCA_DATA_DIR #read xcom file #print dirmod+"/"+ele+".mat" xcomfile = os.path.join(dirmod, "attdata") xcomfile = os.path.join(xcomfile, ele+".mat") if not os.path.exists(xcomfile): #freeze does bad things with the path ... dirmod = os.path.dirname(dirmod) xcomfile = os.path.join(dirmod, "attdata") xcomfile = os.path.join(xcomfile, ele+".mat") if dirmod.lower().endswith(".zip"): dirmod = os.path.dirname(dirmod) xcomfile = os.path.join(dirmod, "attdata") xcomfile = os.path.join(xcomfile, ele+".mat") if not os.path.exists(xcomfile): print("Cannot find file ",xcomfile) raise IOError("Cannot find %s" % xcomfile) f = open(xcomfile, 'r') line=f.readline() while (line.split('ENERGY')[0] == line): line = f.readline() Element[ele]['xcom'] = {} Element[ele]['xcom']['energy'] =[] Element[ele]['xcom']['coherent'] =[] Element[ele]['xcom']['compton'] =[] Element[ele]['xcom']['photo'] =[] Element[ele]['xcom']['pair'] =[] Element[ele]['xcom']['total'] =[] line = f.readline() while (line.split('COHERENT')[0] == line): line = line.split() for value in line: Element[ele]['xcom']['energy'].append(float(value)*1000.) line = f.readline() Element[ele]['xcom']['energy']=numpy.array(Element[ele]['xcom']['energy']) line = f.readline() while (line.split('INCOHERENT')[0] == line): line = line.split() for value in line: Element[ele]['xcom']['coherent'].append(float(value)) line = f.readline() Element[ele]['xcom']['coherent']=numpy.array(Element[ele]['xcom']['coherent']) line = f.readline() while (line.split('PHOTO')[0] == line): line = line.split() for value in line: Element[ele]['xcom']['compton'].append(float(value)) line = f.readline() Element[ele]['xcom']['compton']=numpy.array(Element[ele]['xcom']['compton']) line = f.readline() while (line.split('PAIR')[0] == line): line = line.split() for value in line: Element[ele]['xcom']['photo'].append(float(value)) line = f.readline() line = f.readline() while (line.split('PAIR')[0] == line): line = line.split() for value in line: Element[ele]['xcom']['pair'].append(float(value)) line = f.readline() i = 0 line = f.readline() while (len(line)): line = line.split() for value in line: Element[ele]['xcom']['pair'][i] += float(value) i += 1 line = f.readline() if sys.version >= '3.0': # next line gave problems under under windows # just try numpy.argsort([1,1,1,1,1]) under linux and windows to see # what I mean # i1=numpy.argsort(Element[ele]['xcom']['energy']) did not work # (uses quicksort and gives problems with Pb not passing tests) i1=numpy.argsort(Element[ele]['xcom']['energy'], kind='mergesort') else: sset = map(None,Element[ele]['xcom']['energy'],range(len(Element[ele]['xcom']['energy']))) sset.sort() i1=numpy.array([x[1] for x in sset]) Element[ele]['xcom']['energy']=numpy.take(Element[ele]['xcom']['energy'],i1) Element[ele]['xcom']['coherent']=numpy.take(Element[ele]['xcom']['coherent'],i1) Element[ele]['xcom']['compton']=numpy.take(Element[ele]['xcom']['compton'],i1) Element[ele]['xcom']['photo']=numpy.take(Element[ele]['xcom']['photo'],i1) Element[ele]['xcom']['pair']=numpy.take(Element[ele]['xcom']['pair'],i1) if Element[ele]['xcom']['coherent'][0] <= 0: Element[ele]['xcom']['coherent'][0] = Element[ele]['xcom']['coherent'][1] * 1.0 try: Element[ele]['xcom']['energylog10']=numpy.log10(Element[ele]['xcom']['energy']) Element[ele]['xcom']['coherentlog10']=numpy.log10(Element[ele]['xcom']['coherent']) Element[ele]['xcom']['comptonlog10']=numpy.log10(Element[ele]['xcom']['compton']) Element[ele]['xcom']['photolog10']=numpy.log10(Element[ele]['xcom']['photo']) except: raise ValueError("Problem calculating logaritm of %s.mat file data" % ele) for i in range(0,len(Element[ele]['xcom']['energy'])): Element[ele]['xcom']['total'].append(Element[ele]['xcom']['coherent'][i]+\ Element[ele]['xcom']['compton'] [i]+\ Element[ele]['xcom']['photo'] [i]+\ Element[ele]['xcom']['pair'] [i]) if energy is None: return Element[ele]['xcom'] ddict={} ddict['energy'] = [] ddict['coherent'] = [] ddict['compton'] = [] ddict['photo'] = [] ddict['pair'] = [] ddict['total'] = [] if not hasattr(energy, "__len__"): energy =[energy] for ene in energy: if ene < 1.0: if PyMcaEPDL97.EPDL97_DICT[ele]['original']: #make sure the binding energies are those used by this module and not EADL ones PyMcaEPDL97.setElementBindingEnergies(ele, Element[ele]['binding']) tmpDict = PyMcaEPDL97.getElementCrossSections(ele, ene) cohe = tmpDict['coherent'][0] comp = tmpDict['compton'][0] photo = tmpDict['photo'][0] pair = 0.0 else: i0=max(numpy.nonzero(Element[ele]['xcom']['energy'] <= ene)[0]) i1=min(numpy.nonzero(Element[ele]['xcom']['energy'] >= ene)[0]) if i1 <= i0: cohe=Element[ele]['xcom']['coherent'][i1] comp=Element[ele]['xcom']['compton'][i1] photo=Element[ele]['xcom']['photo'][i1] pair=Element[ele]['xcom']['pair'][i1] else: if LOGLOG: A=Element[ele]['xcom']['energylog10'][i0] B=Element[ele]['xcom']['energylog10'][i1] logene = numpy.log10(ene) c2=(logene-A)/(B-A) c1=(B-logene)/(B-A) else: A=Element[ele]['xcom']['energy'][i0] B=Element[ele]['xcom']['energy'][i1] c2=(ene-A)/(B-A) c1=(B-ene)/(B-A) cohe= pow(10.0,c2*Element[ele]['xcom']['coherentlog10'][i1]+\ c1*Element[ele]['xcom']['coherentlog10'][i0]) comp= pow(10.0,c2*Element[ele]['xcom']['comptonlog10'][i1]+\ c1*Element[ele]['xcom']['comptonlog10'][i0]) photo=pow(10.0,c2*Element[ele]['xcom']['photolog10'][i1]+\ c1*Element[ele]['xcom']['photolog10'][i0]) if Element[ele]['xcom']['pair'][i1] > 0.0: c2 = c2*numpy.log10(Element[ele]['xcom']['pair'][i1]) if Element[ele]['xcom']['pair'][i0] > 0.0: c1 = c1*numpy.log10(Element[ele]['xcom']['pair'][i0]) pair = pow(10.0,c1+c2) else: pair =0.0 else: pair =0.0 ddict['energy'].append(ene) ddict['coherent'].append(cohe) ddict['compton'].append(comp) ddict['photo'].append(photo) ddict['pair'].append(pair) ddict['total'].append(cohe+comp+photo+pair) return ddict def getElementLShellRates(symbol,energy=None,photoweights = None): """ getElementLShellRates(symbol,energy=None, photoweights = None) gives LShell branching ratios at a given energy weights due to photoeffect, fluorescence and Coster-Kronig transitions are calculated and used unless photoweights is False, in that case weights = [1.0, 1.0, 1.0, 1.0, 1.0] """ if photoweights is None:photoweights=True if photoweights: weights = getLWeights(symbol,energy=energy) else: weights = [1.0, 1.0, 1.0] z = getz(symbol) index = z-1 shellrates = numpy.arange(len(LShell.ElementLShellTransitions)).astype(numpy.float) shellrates[0] = z shellrates[1] = 0 lo = 0 if 'Z' in LShell.ElementL1ShellTransitions[0:2]:lo=1 if 'TOTAL' in LShell.ElementL1ShellTransitions[0:2]:lo=lo+1 n1 = len(LShell.ElementL1ShellTransitions) rates = numpy.array(LShell.ElementL1ShellRates[index]).astype(numpy.float) shellrates[lo:n1] = (rates[lo:] / (sum(rates[lo:]) + (sum(rates[lo:])==0))) * weights[0] n2 = n1 + len(LShell.ElementL2ShellTransitions) - lo rates = numpy.array(LShell.ElementL2ShellRates[index]).astype(numpy.float) shellrates[n1:n2] = (rates[lo:] / (sum(rates[lo:]) + (sum(rates[lo:])==0))) * weights[1] n1 = n2 n2 = n1 + len(LShell.ElementL3ShellTransitions) - lo rates = numpy.array(LShell.ElementL3ShellRates[index]).astype(numpy.float) shellrates[n1:n2] = (rates[lo:] / (sum(rates[lo:]) + (sum(rates[lo:])==0))) * weights[2] return shellrates def getElementMShellRates(symbol,energy=None, photoweights = None): """ getElementMShellRates(symbol,energy=None, photoweights = None) gives MShell branching ratios at a given energy weights due to photoeffect, fluorescence and Coster-Kronig transitions are calculated and used unless photoweights is False, in that case weights = [1.0, 1.0, 1.0, 1.0, 1.0] """ if photoweights is None:photoweights=True if photoweights: weights = getMWeights(symbol,energy=energy) else: weights = [1.0, 1.0, 1.0, 1.0, 1.0] z = getz(symbol) index = z-1 shellrates = numpy.arange(len(MShell.ElementMShellTransitions)).astype(numpy.float) shellrates[0] = z shellrates[1] = 0 n1 = len(MShell.ElementM1ShellTransitions) rates = numpy.array(MShell.ElementM1ShellRates[index]).astype(numpy.float) shellrates[2:n1] = (rates[2:] / (sum(rates[2:]) + (sum(rates[2:])==0))) * weights[0] n2 = n1 + len(MShell.ElementM2ShellTransitions) - 2 rates = numpy.array(MShell.ElementM2ShellRates[index]).astype(numpy.float) shellrates[n1:n2] = (rates[2:] / (sum(rates[2:]) + (sum(rates[2:])==0))) * weights[1] n1 = n2 n2 = n1 + len(MShell.ElementM3ShellTransitions) - 2 rates = numpy.array(MShell.ElementM3ShellRates[index]).astype(numpy.float) shellrates[n1:n2] = (rates[2:] / (sum(rates[2:]) + (sum(rates[2:])==0))) * weights[2] n1 = n2 n2 = n1 + len(MShell.ElementM4ShellTransitions) - 2 rates = numpy.array(MShell.ElementM4ShellRates[index]).astype(numpy.float) shellrates[n1:n2] = (rates[2:] / (sum(rates[2:]) + (sum(rates[2:])==0)))* weights[3] n1 = n2 n2 = n1 + len(MShell.ElementM5ShellTransitions) - 2 rates = numpy.array(MShell.ElementM5ShellRates[index]).astype(numpy.float) shellrates[n1:n2] = (rates[2:] / (sum(rates[2:]) + (sum(rates[2:])==0)))* weights[4] return shellrates def _getUnfilteredElementDict(symbol, energy, photoweights=None): if photoweights == None:photoweights = False ddict = {} if len(symbol) > 1: ele = symbol[0].upper() + symbol[1].lower() else: ele = symbol.upper() #fill the dictionnary ddict['rays']=[] z = getz(ele) for n in range(len(ElementXrays)): rays = ElementXrays[n] if (rays == 'L xrays'): shellrates = getElementLShellRates(ele,energy=energy,photoweights=photoweights) elif (rays == 'M xrays'): shellrates = getElementMShellRates(ele,energy=energy,photoweights=photoweights) else: shellrates = ElementShellRates[n][z-1] shelltransitions = ElementShellTransitions[n] ddict[rays] = [] minenergy = MINENERGY if 'TOTAL' in shelltransitions: indexoffset = 2 else: indexoffset = 1 for i in range(indexoffset, len(shelltransitions)): rate = shellrates [i] transition = shelltransitions[i] if n==0:ddict[transition] = {} if (rays == "Ka xrays"): xenergy = getxrayenergy(ele,transition.replace('a','')) elif (rays == "Kb xrays"): xenergy = getxrayenergy(ele,transition.replace('b','')) else: xenergy = getxrayenergy(ele,transition.replace('*','')) if xenergy > minenergy: ddict[transition] = {} ddict[rays].append(transition) ddict[transition]['energy'] = xenergy ddict[transition]['rate'] = rate if rays not in ddict['rays']: ddict['rays'].append(rays) ddict['buildparameters']={} ddict['buildparameters']['energy'] = energy ddict['buildparameters']['minenergy'] = minenergy ddict['buildparameters']['minrate'] = 0.0 return ddict def _updateElementDict(symbol, dict, energy=None, minenergy=MINENERGY, minrate=0.0010, normalize = None, photoweights = None): if normalize is None: normalize = True if photoweights is None: photoweights = True if len(symbol) > 1: ele = symbol[0].upper() + symbol[1].lower() else: ele = symbol[0].upper() #reset existing dictionnary if 'rays' in dict: for rays in dict['rays']: for transition in dict[rays]: #print "transition deleted = ",transition del dict[transition] #print "rays deleted = ",rays del dict[rays] #fill the dictionnary dict['rays']=[] z = getz(ele) for n in range(len(ElementXrays)): rays = ElementXrays[n] if (rays == 'L xrays'): shellrates = getElementLShellRates(ele,energy=energy,photoweights=photoweights) elif (rays == 'M xrays'): shellrates = getElementMShellRates(ele,energy=energy,photoweights=photoweights) else: shellrates = ElementShellRates[n][z-1] shelltransitions = ElementShellTransitions[n] dict[rays] = [] if 'TOTAL' in shelltransitions: transitionoffset = 2 else: transitionoffset = 1 maxrate = max(shellrates[transitionoffset:]) cum = 0.0 if maxrate > minrate: for i in range(transitionoffset, len(shelltransitions)): rate = shellrates [i] if (rate/maxrate) > minrate: transition = shelltransitions[i] if (rays == "Ka xrays"): xenergy = getxrayenergy(ele,transition.replace('a','')) elif (rays == "Kb xrays"): xenergy = getxrayenergy(ele,transition.replace('b','')) else: xenergy = getxrayenergy(ele,transition.replace('*','')) if (xenergy > minenergy) or (n == 0) : dict[transition] = {} dict[rays].append(transition) dict[transition]['energy'] = xenergy dict[transition]['rate'] = rate cum += rate if rays not in dict['rays']: dict['rays'].append(rays) #cum = 1.00 if normalize: if cum > 0.0: for transition in dict[rays]: dict[transition]['rate'] /= cum dict['buildparameters']={} dict['buildparameters']['energy'] = energy dict['buildparameters']['minenergy'] = minenergy dict['buildparameters']['minrate'] = minrate def updateDict(energy=None, minenergy=MINENERGY, minrate=0.0010, cb=True): for ele in ElementList: _updateElementDict(ele, Element[ele], energy=energy, minenergy=minenergy, minrate=minrate) if cb: _updateCallback() return def _getMaterialDict(): cDict = ConfigDict.ConfigDict() dirmod = PyMcaDataDir.PYMCA_DATA_DIR matdict = os.path.join(dirmod,"attdata") matdict = os.path.join(matdict,"MATERIALS.DICT") if not os.path.exists(matdict): #freeze does bad things with the path ... dirmod = os.path.dirname(dirmod) matdict = os.path.join(dirmod, "attdata") matdict = os.path.join(matdict, "MATERIALS.DICT") if not os.path.exists(matdict): if dirmod.lower().endswith(".zip"): dirmod = os.path.dirname(dirmod) matdict = os.path.join(dirmod, "attdata") matdict = os.path.join(matdict, "MATERIALS.DICT") if not os.path.exists(matdict): print("Cannot find file ", matdict) #raise IOError("Cannot find %s" % matdict) return {} cDict.read(matdict) return cDict class BoundMethodWeakref: """Helper class to get a weakref to a bound method""" def __init__(self, bound_method, onDelete=None): def remove(ref): if self.deleteCb is not None: self.deleteCb(self) self.deleteCb = onDelete self.func_ref = weakref.ref(bound_method.im_func, remove) self.obj_ref = weakref.ref(bound_method.im_self, remove) def __call__(self): obj = self.obj_ref() if obj is not None: func = self.func_ref() if func is not None: return func.__get__(obj) def __cmp__( self, other ): """Compare with another reference""" if not isinstance (other,self.__class__): return cmp( self.__class__, type(other) ) return cmp( self.func_ref, other.func_ref) and cmp( self.obj_ref, other.obj_ref) _registeredCallbacks=[] def registerUpdate(callback): if not hasattr(callback, "__call__"): raise TypeError("It should be a callable method") def delCallback(ref): try: i = _registeredCallbacks.index(ref) del _registeredCallbacks[i] except: pass if hasattr(callback, 'im_self') and callback.im_self is not None: ref = BoundMethodWeakref(callback, delCallback) else: # function weakref ref = weakref.ref(callback, delCallback) if ref not in _registeredCallbacks: _registeredCallbacks.append(ref) def _updateCallback(): for methodref in _registeredCallbacks: method = methodref() if method is not None: method() Element={} for ele in ElementList: z = getz(ele) Element[ele]={} Element[ele]['Z'] = z Element[ele]['name'] = ElementsInfo[z-1][4] Element[ele]['mass'] = ElementsInfo[z-1][5] Element[ele]['density'] = ElementsInfo[z-1][6]/1000. Element[ele]['binding'] = {} i=0 for shell in ElementShells: i = i + 1 if z > len(ElementBinding): #Give the bindings of the last element Element[ele]['binding'][shell] = ElementBinding[-1][i] else: Element[ele]['binding'][shell] = ElementBinding[z-1][i] #fluorescence yields Element[ele]['omegak'] = getomegak(ele) Element[ele]['omegal1'] = getomegal1(ele) Element[ele]['omegal2'] = getomegal2(ele) Element[ele]['omegal3'] = getomegal3(ele) Element[ele]['omegam1'] = getomegam1(ele) Element[ele]['omegam2'] = getomegam2(ele) Element[ele]['omegam3'] = getomegam3(ele) Element[ele]['omegam4'] = getomegam4(ele) Element[ele]['omegam5'] = getomegam5(ele) #Coster-Kronig Element[ele]['CosterKronig'] = {} Element[ele]['CosterKronig']['L'] = getCosterKronig(ele) Element[ele]['CosterKronig']['M'] = MShell.getCosterKronig(ele) #jump ratios #xrays #Element[ele]['rays']=[] #updateElementDict(ele, Element[ele], energy=None, minenergy=0.399, minrate=0.001,cb=False) Material = _getMaterialDict() updateDict() if __name__ == "__main__": if len(sys.argv) > 1: ele = sys.argv[1] if ele in Element.keys(): print("Symbol = ",getsymbol(getz(ele))) print("Atomic Number = ",getz(ele)) print("Name = ",getname(getz(ele))) print("K-shell yield = ",Element[ele]['omegak']) print("L1-shell yield = ",Element[ele]['omegal1']) print("L2-shell yield = ",Element[ele]['omegal2']) print("L3-shell yield = ",Element[ele]['omegal3']) print("M1-shell yield = ",Element[ele]['omegam1']) print("M2-shell yield = ",Element[ele]['omegam2']) print("M3-shell yield = ",Element[ele]['omegam3']) print("M4-shell yield = ",Element[ele]['omegam4']) print("M5-shell yield = ",Element[ele]['omegam5']) print("L Coster-Kronig= ",Element[ele]['CosterKronig']['L']) print("M Coster-Kronig= ",Element[ele]['CosterKronig']['M']) if len(sys.argv) > 2: def testCallback(): print("callback called") registerUpdate(testCallback) e = float(sys.argv[2]) if 0: _updateElementDict(ele,Element[ele],energy=e) else: import time t0=time.time() updateDict(energy=e) print("update took ",time.time() - t0) for rays in Element[ele]['rays']: print(rays,":") for transition in Element[ele][rays]: print("%s energy = %.5f rate = %.5f" %\ (transition,Element[ele][transition]['energy'], Element[ele][transition]['rate'])) if len(sys.argv) > 2: LOGLOG = False print("OLD VALUES") print(getmassattcoef(ele,float(sys.argv[2]))) LOGLOG = True print("NEW VALUES") print(getmassattcoef(ele,float(sys.argv[2]))) if len(sys.argv) >3: print(getcandidates(float(sys.argv[2]), threshold=float(sys.argv[3]))) else: print(getcandidates(float(sys.argv[2]))) else: print(getmassattcoef(ele,[10.,11,12,12.5])) PyMca5-5.2.2/PyMca5/PyMcaPhysics/xrf/MShell.py0000644000276300001750000003243313136054446020745 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2016 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import os import numpy from PyMca5.PyMcaIO import specfile from PyMca5 import getDataFile sf=specfile.Specfile(getDataFile("MShellRates.dat")) ElementM1ShellTransitions = sf[0].alllabels() ElementM2ShellTransitions = sf[1].alllabels() ElementM3ShellTransitions = sf[2].alllabels() ElementM4ShellTransitions = sf[3].alllabels() ElementM5ShellTransitions = sf[4].alllabels() ElementM1ShellRates = numpy.transpose(sf[0].data()).tolist() ElementM2ShellRates = numpy.transpose(sf[1].data()).tolist() ElementM3ShellRates = numpy.transpose(sf[2].data()).tolist() ElementM4ShellRates = numpy.transpose(sf[3].data()).tolist() ElementM5ShellRates = numpy.transpose(sf[4].data()).tolist() sf=specfile.Specfile(getDataFile("MShellConstants.dat")) ElementM1ShellConstants = sf[0].alllabels() ElementM2ShellConstants = sf[1].alllabels() ElementM3ShellConstants = sf[2].alllabels() ElementM4ShellConstants = sf[3].alllabels() ElementM5ShellConstants = sf[4].alllabels() ElementM1ShellValues = numpy.transpose(sf[0].data()).tolist() ElementM2ShellValues = numpy.transpose(sf[1].data()).tolist() ElementM3ShellValues = numpy.transpose(sf[2].data()).tolist() ElementM4ShellValues = numpy.transpose(sf[3].data()).tolist() ElementM5ShellValues = numpy.transpose(sf[4].data()).tolist() sf=None fname = getDataFile("EADL97_MShellConstants.dat") sf = specfile.Specfile(fname) EADL97_ElementM1ShellConstants = sf[0].alllabels() EADL97_ElementM2ShellConstants = sf[1].alllabels() EADL97_ElementM3ShellConstants = sf[2].alllabels() EADL97_ElementM4ShellConstants = sf[3].alllabels() EADL97_ElementM5ShellConstants = sf[4].alllabels() EADL97_ElementM1ShellValues = numpy.transpose(sf[0].data()).tolist() EADL97_ElementM2ShellValues = numpy.transpose(sf[1].data()).tolist() EADL97_ElementM3ShellValues = numpy.transpose(sf[2].data()).tolist() EADL97_ElementM4ShellValues = numpy.transpose(sf[3].data()).tolist() EADL97_ElementM5ShellValues = numpy.transpose(sf[4].data()).tolist() EADL97 = True sf = None Elements = ['H', 'He', 'Li', 'Be', 'B', 'C', 'N', 'O', 'F', 'Ne', 'Na', 'Mg', 'Al', 'Si', 'P', 'S', 'Cl', 'Ar', 'K', 'Ca', 'Sc', 'Ti', 'V', 'Cr', 'Mn', 'Fe', 'Co', 'Ni', 'Cu', 'Zn', 'Ga', 'Ge', 'As', 'Se', 'Br', 'Kr', 'Rb', 'Sr', 'Y', 'Zr', 'Nb', 'Mo', 'Tc', 'Ru', 'Rh', 'Pd', 'Ag', 'Cd', 'In', 'Sn', 'Sb', 'Te', 'I', 'Xe', 'Cs', 'Ba', 'La', 'Ce', 'Pr', 'Nd', 'Pm', 'Sm', 'Eu', 'Gd', 'Tb', 'Dy', 'Ho', 'Er', 'Tm', 'Yb', 'Lu', 'Hf', 'Ta', 'W', 'Re', 'Os', 'Ir', 'Pt', 'Au', 'Hg', 'Tl', 'Pb', 'Bi', 'Po', 'At', 'Rn', 'Fr', 'Ra', 'Ac', 'Th', 'Pa', 'U', 'Np', 'Pu', 'Am', 'Cm', 'Bk', 'Cf', 'Es', 'Fm', 'Md', 'No', 'Lr', 'Rf', 'Db', 'Sg', 'Bh', 'Hs', 'Mt'] def getsymbol(z): return Elements[z-1] def getz(ele): return Elements.index(ele)+1 #fluorescence yields def getomegam1(ele): zEle = getz(ele) index = ElementM1ShellConstants.index('omegaM1') value = ElementM1ShellValues[zEle-1][index] if (value <= 0.0) and EADL97: if zEle > 99: #just to avoid a crash #I do not expect any fluorescent analysis of these elements ... zEle = 99 index = EADL97_ElementM1ShellConstants.index('omegaM1') value = EADL97_ElementM1ShellValues[zEle-1][index] return value def getomegam2(ele): zEle = getz(ele) index = ElementM2ShellConstants.index('omegaM2') value = ElementM2ShellValues[zEle-1][index] if (value <= 0.0) and EADL97: if zEle > 99: #just to avoid a crash #I do not expect any fluorescent analysis of these elements ... zEle = 99 index = EADL97_ElementM2ShellConstants.index('omegaM2') value = EADL97_ElementM2ShellValues[zEle-1][index] return value def getomegam3(ele): zEle = getz(ele) index = ElementM3ShellConstants.index('omegaM3') value = ElementM3ShellValues[zEle-1][index] if (value <= 0.0) and EADL97: if zEle > 99: #just to avoid a crash #I do not expect any fluorescent analysis of these elements ... zEle = 99 index = EADL97_ElementM3ShellConstants.index('omegaM3') value = EADL97_ElementM3ShellValues[zEle-1][index] return value def getomegam4(ele): zEle = getz(ele) index = ElementM4ShellConstants.index('omegaM4') value = ElementM4ShellValues[zEle-1][index] if (value <= 0.0) and EADL97: if zEle > 99: #just to avoid a crash #I do not expect any fluorescent analysis of these elements ... zEle = 99 index = EADL97_ElementM4ShellConstants.index('omegaM4') value = EADL97_ElementM4ShellValues[zEle-1][index] return value def getomegam5(ele): zEle = getz(ele) index = ElementM5ShellConstants.index('omegaM5') value = ElementM5ShellValues[zEle-1][index] if (value <= 0.0) and EADL97: if zEle > 99: #just to avoid a crash #I do not expect any fluorescent analysis of these elements ... zEle = 99 index = EADL97_ElementM5ShellConstants.index('omegaM5') value = EADL97_ElementM5ShellValues[zEle-1][index] return value #Coster Kronig transitions def getCosterKronig(ele): ck = {} transitions = [ 'f12', 'f13', 'f14', 'f15', 'f23', 'f24', 'f25', 'f34', 'f35', 'f45'] zEle = getz(ele) if zEle > 99: #just to avoid a crash #I do not expect any fluorescent analysis of these elements ... EADL_z = 99 else: EADL_z = zEle ckEADL = {} ckSum = 0.0 for t in transitions: if t in ElementM1ShellConstants: index = ElementM1ShellConstants.index(t) ck[t] = ElementM1ShellValues[zEle-1][index] if EADL97: #try to extend with EADL97 values index = EADL97_ElementM1ShellConstants.index(t) ckEADL[t] = EADL97_ElementM1ShellValues[EADL_z-1][index] elif t in ElementM2ShellConstants: index = ElementM2ShellConstants.index(t) ck[t] = ElementM2ShellValues[zEle-1][index] if EADL97: #try to extend with EADL97 values index = EADL97_ElementM2ShellConstants.index(t) ckEADL[t] = EADL97_ElementM2ShellValues[EADL_z-1][index] elif t in ElementM3ShellConstants: index = ElementM3ShellConstants.index(t) ck[t] = ElementM3ShellValues[zEle-1][index] if EADL97: #try to extend with EADL97 values index = EADL97_ElementM3ShellConstants.index(t) ckEADL[t] = EADL97_ElementM3ShellValues[EADL_z-1][index] elif t in ElementM4ShellConstants: index = ElementM4ShellConstants.index(t) ck[t] = ElementM4ShellValues[zEle-1][index] if EADL97: #try to extend with EADL97 values index = EADL97_ElementM4ShellConstants.index(t) ckEADL[t] = EADL97_ElementM4ShellValues[EADL_z-1][index] else: print("%s not in M-Shell Coster-Kronig transitions" % t) continue ckSum += ck[t] if ckSum > 0.0: #I do not force EADL97 because of compatibility #with previous versions. I may offer forcing to #EADL97 in the future. return ck elif EADL97: #extended values if defined #for instance, the region from Mg to Cl return ckEADL else: return ck #Jump ratios following Veigele: Atomic Data Tables 5 (1973) 51-111. p 54 and 55 def getjm1(z): return 1.1 def getjm2(z): return 1.1 def getjm3(z): return 1.2 def getjm4(z): return 1.5 def getjm5(z): return (225.0/z) - 0.35 def getwjump(ele,excitedshells=[1.0,1.0,1.0,1.0,1.0]): """ wjump represents the probability for a vacancy to be created on the respective M-Shell by direct photoeffect on that shell """ z = getz(ele) #weights due to photoeffect jm = [getjm1(z), getjm2(z), getjm3(z), getjm4(z), getjm5(z)] wjump = [] i = 0 cum = 0.00 for jump in jm: v = excitedshells[i]*(jump-1.0)/jump wjump.append(v) cum += v i+=1 for i in range(len(wjump)): wjump[i] = wjump[i] / cum return wjump def getweights(ele,excitedshells=None): if type(ele) == type(" "): pass else: ele = getsymbol(int(ele)) if excitedshells == None:excitedshells=[1.0,1.0,1.0,1.0,1.0] w = getwjump(ele,excitedshells) #weights due to Coster Kronig transitions and fluorescence yields ck= getCosterKronig(ele) w[0] *= 1.0 w[1] *= (1.0 + ck['f12'] * w[0]) w[2] *= (1.0 + ck['f13'] * w[0] + ck['f23'] * w[1]) w[3] *= (1.0 + ck['f14'] * w[0] + ck['f24'] * w[1] + ck['f34'] * w[2]) w[4] *= (1.0 + ck['f15'] * w[0] + ck['f25'] * w[1] + ck['f35'] * w[2] + ck['f45'] * w[3]) omega = [ getomegam1(ele), getomegam2(ele), getomegam3(ele), getomegam4(ele), getomegam5(ele)] for i in range(len(w)): w[i] *= omega[i] cum = sum(w) for i in range(len(w)): if cum > 0.0: w[i] /= cum return w ElementMShellTransitions = ElementM1ShellTransitions + \ ElementM2ShellTransitions[2:] + \ ElementM3ShellTransitions[2:] + \ ElementM4ShellTransitions[2:] + \ ElementM5ShellTransitions[2:] nele = len(ElementM1ShellRates) elements = range(1,nele+1) weights = [] for ele in elements: weights.append(getweights(ele)) weights = numpy.array(weights).astype(numpy.float) ElementMShellRates = numpy.zeros((len(ElementM1ShellRates),len(ElementMShellTransitions)),numpy.float) ElementMShellRates[:,0] = numpy.arange(len(ElementM1ShellRates)) + 1 n1 = len(ElementM1ShellTransitions) ElementMShellRates[:,2:n1] = numpy.array(ElementM1ShellRates).astype(numpy.float)[:,2:] * \ numpy.resize(weights[:,0],(nele,1)) n2 = n1 + len(ElementM2ShellTransitions) - 2 ElementMShellRates[:,n1:n2] = numpy.array(ElementM2ShellRates).astype(numpy.float)[:,2:] * \ numpy.resize(weights[:,1],(nele,1)) n1 = n2 n2 = n1 + len(ElementM3ShellTransitions) - 2 ElementMShellRates[:,n1:n2] = numpy.array(ElementM3ShellRates).astype(numpy.float)[:,2:] * \ numpy.resize(weights[:,2],(nele,1)) n1 = n2 n2 = n1 + len(ElementM4ShellTransitions) - 2 ElementMShellRates[:,n1:n2] = numpy.array(ElementM4ShellRates).astype(numpy.float)[:,2:] * \ numpy.resize(weights[:,3],(nele,1)) n1 = n2 n2 = n1 + len(ElementM5ShellTransitions) - 2 ElementMShellRates[:,n1:n2] = numpy.array(ElementM5ShellRates).astype(numpy.float)[:,2:] * \ numpy.resize(weights[:,4],(nele,1)) if __name__ == "__main__": import sys if len(sys.argv) > 1: ele = sys.argv[1] if ele in Elements: z = getz(ele) print("Atomic Number = ",z) print("M1-shell yield = ",getomegam1(ele)) print("M2-shell yield = ",getomegam2(ele)) print("M3-shell yield = ",getomegam3(ele)) print("M4-shell yield = ",getomegam4(ele)) print("M5-shell yield = ",getomegam5(ele)) print("M1-shell jump = ",getjm1(z)) print("M2-shell jump = ",getjm2(z)) print("M3-shell jump = ",getjm3(z)) print("M4-shell jump = ",getjm4(z)) print("M5-shell jump = ",getjm5(z)) print("Coster-Kronig = ",getCosterKronig(ele)) EADL97 = False print("Coster-Kronig no EADL97 = ",getCosterKronig(ele)) PyMca5-5.2.2/PyMca5/PyMcaPhysics/xrf/GenerateXCOMCrossSections.py0000644000276300001750000001134313136054446024521 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" __doc__= "Generate specfile from XCOM generated files" import sys import os import numpy from PyMca5.PyMcaPhysics import Elements def getHeader(filename): text = '#F %s\n' % filename text += '#U00 This file is a direct conversion to specfile format of \n' text += '#U01 the XCOM selected-arrays output.\n' text += '#U02 \n' text += '#U03 XCOM itself can be found at:\n' text += '#U04 http://www.nist.gov/pml/data/xcom/index.cfm\n' text += '\n' return text if __name__ == "__main__": if len(sys.argv) < 3: print("Usage:") print("python GenerateXCOMTotalCrossSections SPEC_output_filename Barns_flag") sys.exit(0) fname = sys.argv[1] if os.path.exists(fname): os.remove(fname) if int(sys.argv[2]): BARNS = True else: BARNS = False print("BARNS = %s" % BARNS) outfile = open(fname, 'wb') outfile.write(getHeader(fname)) for i in range(1, 101): ele = Elements.getsymbol(i) print("i = %d element = %s" % (i, ele)) # force data readout dataDict = Elements.getelementmassattcoef(ele) # pure XCOM data dataDict = Elements.Element[ele]['xcom'] # energy (keV) energy = dataDict['energy'] # coherent (cm2/g) cohe = dataDict['coherent'] # incoherent incohe = dataDict['compton'] # photoelectric photo = dataDict['photo'] # photoelectric pair = dataDict['pair'] # total total = dataDict['total'] # convert to keV and cut at 500 keV not done for XCOM # indices = numpy.nonzero(energy<=500.) # energy = energy[indices] # photo = photo[indices] # cohe = cohe[indices] # incohe = incohe[indices] # I do not cut at 500 keV. I need to take the pair production total = photo + cohe + incohe + pair #now I am ready to write a Specfile text = '#S %d %s\n' % (i, ele) text += '#N 5\n' labels = '#L PhotonEnergy[keV]' labels += ' Rayleigh(coherent)[barn/atom]' labels += ' Compton(incoherent)[barn/atom]' labels += ' CoherentPlusIncoherent[barn/atom]' labels += ' Photoelectric[barn/atom]' labels += ' PairProduction[barn/atom]' labels += ' TotalCrossSection[barn/atom]\n' if not BARNS: labels = labels.replace("barn/atom", "cm2/g") factor = 1.0 else: factor = Elements.Element[ele]['mass'] /(1.0E-24*AVOGADRO_NUMBER) text += labels if 0: fformat = "%g %g %g %g %g %g %g\n" else: fformat = "%.6E %.6E %.6E %.6E %.6E %.6E %.6E\n" outfile.write(text) for n in range(len(energy)): line = fformat % (energy[n], cohe[n] * factor, incohe[n] * factor, (cohe[n] + incohe[n]) * factor, photo[n] * factor, pair[n] * factor, total[n] * factor) outfile.write(line) outfile.write('\n') outfile.close() PyMca5-5.2.2/PyMca5/PyMcaPhysics/xrf/XRayTubeEbel.py0000644000276300001750000006136613136054446022063 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" from . import Elements import math import numpy def continuumEbel(target, e0, e=None, window=None, alphae=None, alphax=None, transmission=None, targetthickness=None, filterlist=None): """ Calculation of X-ray Tube continuum emission spectrum Parameters: ----------- target : list [Symbol, density (g/cm2), thickness(cm)] or atomic ymbol If set to atomic symbol, the program sets density and thickness of 0.1 cm e0 : float Tube Voltage in kV e : float or array of floats Energy of interest. If not given, the program will generate an array of energies from 1 to the given tube voltage minus 1 kV in keV. window : list Tube window [Formula, density, thickness] alphae : float Angle, in degrees, between electron beam and tube target. Normal incidence is 90. alphax : float Angle, in degrees, of X-ray exit beam. Normal exit is 90. transmission : Boolean, default is False If True the X-ray come out of the tube target by the side opposite to the one receiving the exciting electron beam. targetthickness : Target thickness in cm Only considered in transmission case. If not given, the program uses as target thickness the maximal penetration depth of the incident electron beam. filterlist : [list] Additional filters [[Formula, density, thickness], ...] Return: ------- result : Array Spectral flux density. Flux of photons at the given energies in photons/sr/mA/keV/s Reference: H. Ebel, X-Ray Spectrometry 28 (1999) 255-266 Tube voltage from 5 to 50 kV Electron incident angle from 50 to 90 deg. X-Ray take off angle from 90 to 5 deg. """ if type(target) in [type([]), type(list())]: element = target[0] density = target[1] thickness = target[2] else: element = target density = Elements.Element[element]['density'] thickness = 0.1 if e is None: energy = numpy.arange(e0 * 1.0)[1:] elif type(e) == type([]): energy = numpy.array(e, dtype=numpy.float) elif type(e) == numpy.ndarray: energy = numpy.array(e, dtype=numpy.float) else: energy = numpy.array([e], dtype=numpy.float) if alphae is None: alphae = 75.0 if alphax is None: alphax = 15.0 if transmission is None: transmission = False sinalphae = math.sin(math.radians(alphae)) sinalphax = math.sin(math.radians(alphax)) sinfactor = sinalphae / sinalphax z = Elements.getz(element) const = 1.35e+09 x = 1.109 - 0.00435 * z + 0.00175 * e0 # calculate intermediate constants from formulae (4) in Ebel's paper # eta in Ebel's paper m = 0.1382 - 0.9211 / math.sqrt(z) logz = math.log(z) eta = 0.1904 - 0.2236 * logz + 0.1292 * pow(logz, 2) - \ 0.0149 * pow(logz, 3) eta = eta * pow(e0, m) # dephmax? in Ebel's paper p3 = 0.787e-05 * math.sqrt(0.0135 * z) * pow(e0, 1.5) + \ 0.735e-06 * pow(e0, 2) rhozmax = (Elements.Element[element]['mass'] / z) * p3 # print "max depth = ",2 * rhozmax # and finally we get rhoz u0 = e0 / energy logu0 = numpy.log(u0) p1 = logu0 * (0.49269 - 1.09870 * eta + 0.78557 * pow(eta, 2)) p2 = 0.70256 - 1.09865 * eta + 1.00460 * pow(eta, 2) + logu0 rhoz = rhozmax * (p1 / p2) # the term dealing with the photoelectric absorption of the Bremsstrahlung tau = numpy.array( Elements.getMaterialMassAttenuationCoefficients(element, 1.0, energy)['photo']) if not transmission: rhelp = tau * 2.0 * rhoz * sinfactor if len(numpy.nonzero(rhelp <= 0.0)[0]): result = numpy.zeros(rhelp.shape, numpy.float) for i in range(len(rhelp)): if rhelp[i] > 0.0: result[i] = const * z * pow(u0[i] - 1.0, x) * \ (1.0 - numpy.exp(-rhelp[i])) / rhelp[i] else: result = const * z * pow(u0 - 1.0, x) * \ (1.0 - numpy.exp(-rhelp)) / rhelp # the term dealing with absorption in tube's window if window is not None: if window[2] != 0: w = Elements.getMaterialTransmission(window[0], 1.0, energy, density=window[1], thickness=window[2], listoutput=False)['transmission'] result *= w if filterlist is not None: w = 1 for fwindow in filterlist: if fwindow[2] == 0: continue w *= Elements.getMaterialTransmission(fwindow[0], 1.0, energy, density = fwindow[1], thickness = fwindow[2], listoutput=False)['transmission'] result *= w return result # transmission case if targetthickness is None: #d = Elements.Element[target]['density'] d = density ttarget = 2 * rhozmax print("WARNING target thickness assumed equal to maximum depth of %f cm" % (ttarget/d)) else: #ttarget = targetthickness * Elements.Element[target]['density'] ttarget = targetthickness * density # generationdepth = min(ttarget, 2 * rhozmax) rhelp = tau * 2.0 * rhoz * sinfactor if len(numpy.nonzero(rhelp <= 0.0)[0]): result = numpy.zeros(rhelp.shape, numpy.float) for i in range(len(rhelp)): if rhelp[i] > 0.0: result[i] = const * z * pow(u0[i] - 1.0, x) * \ (numpy.exp(-tau[i] *(ttarget - 2.0 * rhoz[i]) / sinalphax) - \ numpy.exp(-tau[i] * ttarget / sinalphax)) / rhelp[i] else: result = const * z * pow(u0 - 1.0, x) * \ (numpy.exp(-tau *(ttarget - 2.0 * rhoz) / sinalphax) - \ numpy.exp(-tau * ttarget / sinalphax)) / rhelp # the term dealing with absorption in tube's window if window is not None: if window[2] != 0.0 : w = Elements.getMaterialTransmission(window[0], 1.0, energy, density=window[1], thickness=window[2] / sinalphax, listoutput=False)['transmission'] result *= w if filterlist is not None: for fwindow in filterlist: if fwindow[2] == 0: continue w = Elements.getMaterialTransmission(fwindow[0], 1.0, energy, density=fwindow[1], thickness=fwindow[2], listoutput=False)['transmission'] result *= w return result def characteristicEbel(target, e0, window=None, alphae=None, alphax=None, transmission=None, targetthickness=None, filterlist=None): """ Calculation of target characteritic lines and intensities Parameters: ----------- target : list [Symbol, density (g/cm2), thickness(cm)] or atomic ymbol If set to atomic symbol, the program sets density and thickness of 0.1 cm e0 : float Tube Voltage in kV e : float Energy of interest window : list Tube window [Formula, density, thickness] alphae : float Angle, in degrees, between electron beam and tube target. Normal incidence is 90. alphax : float Angle, in degrees, of X-ray exit beam. Normal exit is 90. transmission : Boolean, default is False If True the X-ray come out of the tube target by the side opposite to the one receiving the exciting electron beam. targetthickness : Target thickness in cm Only considered in transmission case. If not given, the program uses as target thickness the maximal penetration depth of the incident electron beam. filterlist : [list] Additional filters [[Formula, density, thickness], ...] Result: list Characteristic lines and intensities in the form [[energy0, intensity0, name0], [energy1, intensity1, name1], ...] Energies in keV Intensities in photons/sr/mA/keV/s """ if type(target) == type([]): element = target[0] density = target[1] thickness = target[2] if targetthickness is None: targetthickness = target[2] else: element = target density = Elements.Element[element]['density'] thickness = 0.1 if alphae is None: alphae = 75.0 if alphax is None: alphax = 15.0 if transmission is None: transmission = False sinalphae = math.sin(math.radians(alphae)) sinalphax = math.sin(math.radians(alphax)) sinfactor = sinalphae/sinalphax z = Elements.getz(element) const = 6.0e+13 # K Shell energy = Elements.Element[element]['binding']['K'] # get the energy of the characteristic lines lines = Elements._getUnfilteredElementDict(element, None, photoweights = True) if 0: # L shell lines will have to be entered directly by the user # L shell lpeaks = [] for label in lines['L xrays']: lpeaks.append([lines[label]['energy'], lines[label]['rate'], element+' '+label]) lfluo = Elements._filterPeaks(lpeaks, ethreshold=0.020, ithreshold=0.001, nthreshold=6, absoluteithreshold=False, keeptotalrate=True) lfluo.sort() peaklist = [] rays = 'K xrays' if rays in lines.keys(): #K shell for label in lines[rays]: peaklist.append([lines[label]['energy'], lines[label]['rate'], element + ' ' + label]) fl = Elements._filterPeaks(peaklist, ethreshold=0.020, ithreshold=0.001, nthreshold=4, absoluteithreshold=False, keeptotalrate=True) fl.sort() if (energy > 0) and (e0 > energy): zk = 2.0 bk = 0.35 else: for i in range(len(fl)): fl[i][1] = 0.00 return fl u0 = e0 / energy logu0 = numpy.log(u0) # stopping factor oneovers = (numpy.sqrt(u0) * logu0 + 2 * (1.0 - numpy.sqrt(u0))) oneovers /= u0 * logu0 + 1.0 - u0 oneovers = 1.0 + 16.05 * numpy.sqrt(0.0135 * z / energy) * oneovers oneovers *= (zk * bk / z) * (u0 * logu0 + 1.0 - u0) # backscattering factor r = 1.0 - 0.0081517 * z + 3.613e-05 * z * z +\ 0.009583 * z * numpy.exp(-u0) + 0.001141 * e0 # Absorption correction # calculate intermediate constants from formulae (4) in Ebel's paper # eta in Ebel's paper m = 0.1382 - 0.9211 / numpy.sqrt(z) logz = numpy.log(z) eta = 0.1904 - 0.2236 * logz + 0.1292 * pow(logz, 2) - 0.0149 * pow(logz, 3) eta = eta * pow(e0, m) # depmax? in Ebel's paper p3 = 0.787e-05 * numpy.sqrt(0.0135 * z) * pow(e0, 1.5) + \ 0.735e-06 * pow(e0, 2) rhozmax = (Elements.Element[element]['mass'] / z) * p3 # and finally we get rhoz p1 = logu0 * (0.49269 - 1.09870 * eta + 0.78557 * pow(eta, 2)) p2 = 0.70256 - 1.09865 * eta + 1.00460 * pow(eta, 2) + logu0 rhoz = rhozmax * (p1 / p2) # the term dealing with the photoelectric absorption energylist = [] for i in range(len(fl)): energylist.append(fl[i][0]) tau = numpy.array( Elements.getMaterialMassAttenuationCoefficients(element, 1.0, energylist)['photo']) if not transmission: rhelp = tau * 2.0 * rhoz * sinfactor w = None if window is not None: if window[2] != 0.0: w = Elements.getMaterialTransmission(window[0], 1.0, energylist, density=window[1], thickness=window[2], listoutput=False)['transmission'] if filterlist is not None: for fwindow in filterlist: if fwindow[2] == 0: continue if w is None: w = Elements.getMaterialTransmission(fwindow[0], 1.0, energylist, density=fwindow[1], thickness=fwindow[2], listoutput=False)['transmission'] else: w *= Elements.getMaterialTransmission(fwindow[0], 1.0, energylist, density=fwindow[1], thickness=fwindow[2], listoutput=False)['transmission'] for i in range(len(fl)): if rhelp[i] > 0.0 : rhelp[i] = (1.0 - numpy.exp(-rhelp[i])) / rhelp[i] else: rhelp[i] = 0.0 intensity = const * oneovers * r * Elements.getomegak(element) * rhelp[i] #the term dealing with absorption in tube's window if w is not None: intensity = intensity * w[i] fl[i][1] = intensity * fl[i][1] return fl #transmission case if targetthickness is None: d = density ttarget = 2 * rhozmax print("WARNING target thickness assumed equal to maximum depth of %f cm" % (ttarget/d)) else: ttarget = targetthickness * density #generationdepth = min(ttarget, 2 * rhozmax) rhelp = tau * 2.0 * rhoz * sinfactor w = None if (window is not None) or (filterlist is not None): if window is not None: if window[2] != 0.0: w = Elements.getMaterialTransmission(window[0], 1.0, energylist, density=window[1], thickness=window[2] / sinalphax, listoutput=False)['transmission'] if filterlist is not None: for fwindow in filterlist: if w is None: w = Elements.getMaterialTransmission(fwindow[0], 1.0, energylist, density=fwindow[1], thickness=fwindow[2], listoutput=False)['transmission'] else: w *= Elements.getMaterialTransmission(fwindow[0], 1.0, energylist, density=fwindow[1], thickness=fwindow[2], listoutput=False)['transmission'] for i in range(len(fl)): if rhelp[i] > 0.0: rhelp[i] = (numpy.exp(-tau[i] *( ttarget - 2.0 * rhoz) / sinalphax) - numpy.exp(-tau[i] * ttarget / sinalphax)) / rhelp[i] else: rhelp[i] = 0.0 intensity = const * oneovers * r * Elements.getomegak(element) * rhelp[i] if w is not None: intensity = intensity * w[i] fl[i][1] = intensity * fl[i][1] return fl def generateLists(target, e0, window=None, alphae=None, alphax=None, transmission=None, targetthickness=None, filterlist=None): """ Generate a theoretical X-Ray Tube emission profile Parameters: ----------- target : list [Symbol, density (g/cm2), thickness(cm)] or atomic ymbol If set to atomic symbol, the program sets density and thickness of 0.1 cm e0 : float Tube Voltage in kV window : list Tube window [Formula, density, thickness] alphae : float Angle, in degrees, between electron beam and tube target. Normal incidence is 90. alphax : float Angle, in degrees, of X-ray exit beam. Normal exit is 90. transmission : Boolean, default is False If True the X-ray come out of the tube target by the side opposite to the one receiving the exciting electron beam. targetthickness : Target thickness in cm Only considered in transmission case. If not given, the program uses as target thickness the maximal penetration depth of the incident electron beam. filterlist : [list] Additional filters [[Formula, density, thickness], ...] Return: ------- result : Tuple [Array of Energies, Array of relative intensities, Array of flags] Flag set to 1 means it is a target characteristic energy Flag set to 0 means it corresponds to a continuum energy """ e0w = 1.0 * e0 x1min = 1.4 step1 = 0.2 x2min = min(e0 - 2 * step1, 20.0) if x2min < 20: step2 = step1 else: step2 = 0.5 x3min = e0w x1 = numpy.arange(x1min, x2min+step1, step1) x2 = numpy.arange(x2min+step1, x3min, step2) # get K shell characteristic lines and intensities fllines = characteristicEbel(target, e0, window, alphae=alphae, alphax=alphax, transmission=transmission, targetthickness=targetthickness, filterlist=filterlist) energy = numpy.ones(len(x1) + len(x2), dtype=float) energy[0:len(x1)] *= x1 energy[len(x1):(len(x1)+len(x2))] *= x2 energyweight = continuumEbel(target, e0, energy, window, alphae=alphae, alphax=alphax, transmission=transmission, targetthickness=targetthickness, filterlist=filterlist) energyweight[0:len(x1)] *= step1 energyweight[len(x1):(len(x1) + len(x2))] *= step2 energyweight[len(x1)] *= (energy[len(x1)] - energy[len(x1) - 1]) / step2 finalenergy = numpy.zeros(len(fllines) + len(energyweight), numpy.float) finalweight = numpy.zeros(len(fllines) + len(energyweight), numpy.float) scatterflag = numpy.zeros(len(fllines) + len(energyweight)) finalenergy[len(fllines):] = energy[0:] finalweight[len(fllines):] = energyweight[0:] / 1.0e7 for i in range(len(fllines)): finalenergy[i] = fllines[i][0] finalweight[i] = fllines[i][1] / 1.0e7 scatterflag[i] = 1 return finalenergy, finalweight, scatterflag if __name__ == "__main__": import sys import getopt options = '' longoptions = ['target=', 'voltage=', 'wele=', 'window=', 'wthickness=', 'anglee=', 'anglex=', 'cfg=', 'deltae=', 'transmission=', 'tthickness='] opts, args = getopt.getopt( sys.argv[1:], options, longoptions) target = 'Ag' voltage = 40 wele = 'Be' wthickness = 0.0125 anglee = 70 anglex = 50 cfgfile = None transmission = None ttarget = None filterlist = None for opt, arg in opts: if opt in ('--target'): target = arg elif opt in ('--tthickness'): ttarget = float(arg) if opt in ('--cfg'): cfgfile = arg if opt in ('--voltage'): voltage = float(arg) if opt in ('--wthickness'): wthickness = float(arg) if opt in ('--wele', 'window'): wele = arg if opt in ('--transmission'): transmission = int(arg) if opt in ('--anglee', '--alphae'): anglee = float(arg) if opt in ('--anglex', '--alphax'): anglex = float(arg) try: e = numpy.arange(voltage * 10 + 1)[1:] / 10 y = continuumEbel(target, voltage, e, [wele, Elements.Element[wele]['density'], wthickness], alphae=anglee, alphax=anglex, transmission=transmission, targetthickness=ttarget, filterlist=filterlist) fllines = characteristicEbel(target, voltage, [wele, Elements.Element[wele]['density'], wthickness], alphae=anglee, alphax=anglex, transmission=transmission, targetthickness=ttarget, filterlist=filterlist) fsum = 0.0 for l in fllines: print("%s %.4f %.3e" % (l[2], l[0], l[1])) fsum += l[1] energy, weight, scatter = \ generateLists(target, voltage, [wele, Elements.Element[wele]['density'], wthickness], alphae=anglee, alphax=anglex, transmission=transmission, targetthickness=ttarget, filterlist=filterlist) f = open("Tube_%s_%.1f_%s_%.5f_ae%.1f_ax%.1f.txt" % (target, voltage, wele, wthickness, anglee, anglex), "w+") text = "energyweight=" for i in range(len(energy)): if i == 0: text += " %f" % weight[i] else: text += ", %f" % weight[i] text += "\n" f.write(text) text = "energy=" for i in range(len(energy)): if i == 0: text += " %f" % energy[i] else: text += ", %f" % energy[i] text += "\n" f.write(text) text = "energyflag=" for i in range(len(energy)): if i == 0: text += " %f" % 1 else: text += ", %f" % 1 text += "\n" f.write(text) text = "energyscatter=" for i in range(len(energy)): if i == 0: text += " %f" % scatter[i] else: text += ", %f" % scatter[i] text += "\n" f.write(text) f.close() except: print("Usage:") print("options = ", longoptions) sys.exit(0) PyMca5-5.2.2/PyMca5/PyMcaPhysics/xas/0000755000276300001750000000000013205526235017173 5ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/PyMcaPhysics/xas/XASSelfattenuationCorrection.py0000644000276300001750000002571613136054446025334 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "Ana Sancho Tomas and V.A. Sole" __license__ = "MIT" __doc__ = """This module corrects fuorescence XAS spectra for selfattenuation. The implemented algorithm is valid for infinite samples. For state-of-the-art XAS analysis you should take a look at dedicated and well-tested packages like IFEFFIT or Viper/XANES dactyloscope """ import copy import numpy from PyMca5.PyMcaIO import ConfigDict from PyMca5.PyMcaPhysics.xrf import Elements def isValidConfiguration(configuration): return True, "OK" class XASSelfattenuationCorrection(object): def __init__(self, configuration=None): self.setConfiguration(configuration) def setConfiguration(self, configuration): if configuration is None: self._configuration = None return good, message = isValidConfiguration(configuration) if not good: raise RuntimeError(message) elif good and self._configuration in [None, {}]: self._configuration = copy.deepcopy(configuration) else: keyList = list(self._configuration.keys()) for key in keyList: if key in configuration.keys(): self._configuration[key] = copy.deepcopy(configuration[key]) def getConfiguration(self): return copy.deepcopy(self._configuration) def loadConfiguration(self, filename): ddict = ConfigDict.ConfigDict() ddict.read(filename) self.setConfiguration(ddict) def saveConfiguration(self, filename): ddict = ConfigDict.ConfigDict() config = self.getConfiguration() for key in config.keys(): ddict[key] = config[key] ddict.write(filename) def correctNormalizedSpectrum(self, energy0, spectrum): """ """ element = self._configuration['XAS']['element'] material = self._configuration['XAS'].get('material', element) edge = self._configuration['XAS']['edge'] alphaIn, alphaOut = self._configuration['XAS']['angles'] edgeEnergy = Elements.Element[element]['binding'][edge] userEdgeEnergy = self._configuration['XAS'].get('energy', edgeEnergy) energy = numpy.array(energy0, dtype=numpy.float) #PyMca data ar in keV but XAS data are usually in eV if 0.5 * (energy[0] + energy[-1])/edgeEnergy > 100: # if the user did not do stupid things most likely # the energy was given in eV energy *= 0.001 if userEdgeEnergy/edgeEnergy > 100: userEdgeEnergy *= 0.001 # forget about multilayers for the time being # Elements.getMaterialMassFractions(materialList, massFractionsList) massFractions = Elements.getMaterialMassFractions([material], [1.0]) # calculate the total mass attenuation coefficients at the given energies # exciting the given element shell and not exciting it EPDL = Elements.PyMcaEPDL97 totalCrossSection = 0.0 totalCrossSectionBackground = 0.0 for ele in massFractions.keys(): # make sure EPDL97 respects the Elements energies if EPDL.EPDL97_DICT[ele]['original']: EPDL.setElementBindingEnergies(ele, Elements.Element[ele]['binding']) if ele == element: # make sure we respect the user energy if abs(userEdgeEnergy-edgeEnergy) > 0.01: newBinding = Elements.Element[ele]['binding'] newBinding[edge] = userEdgeEnergy try: EPDL.setElementBindingEnergies(ele, newBinding) crossSections = EPDL.getElementCrossSections(ele, energy) EPDL.setElementBindingEnergies(ele, Elements.Element[ele]['binding']) except: EPDL.setElementBindingEnergies(ele, Elements.Element[ele]['binding']) raise else: crossSections = EPDL.getElementCrossSections(ele, energy) else: crossSections = EPDL.getElementCrossSections(ele, energy) total = numpy.array(crossSections['total']) tmpFloat = massFractions[ele] * total totalCrossSection += tmpFloat if ele != element: totalCrossSectionBackground += tmpFloat else: edgeCrossSections = numpy.array(crossSections[edge]) muSampleJump = massFractions[ele] * edgeCrossSections totalCrossSectionBackground += massFractions[ele] *\ (total - edgeCrossSections) # calculate the mass attenuation coefficient of the sample at the fluorescent energy # assume we are detecting the main fluorescence line of the element shell if edge == 'K': rays = Elements.Element[element]["Ka xrays"] elif edge[0] == 'L': rays = Elements.Element[element][edge + " xrays"] elif edge[0] == 'M': rays = [] for transition in Elements.Element[element]['M xrays']: if transition.startswith(edge): rays.append(transition) lineList = [] for label in rays: ene = Elements.Element[element][label]['energy'] rate = Elements.Element[element][label]['rate'] lineList.append([ene, rate, label]) # whithin 50 eV lines considered the same lineList = Elements._filterPeaks(lineList, ethreshold=0.050) # now take the returned line with the highest intensity fluoLine = lineList[0] for line in lineList: if line[1] > fluoLine[1]: fluoLine = line # and calculate the sample total mass attenuation muTotalFluorescence = 0.0 for ele in massFractions.keys(): crossSections = EPDL.getElementCrossSections(ele, fluoLine[0]) muTotalFluorescence += massFractions[ele] * crossSections['total'][0] #define some convenience variables sinIn = numpy.sin(numpy.deg2rad(alphaIn)) sinOut= numpy.sin(numpy.deg2rad(alphaOut)) g = sinIn / sinOut if 1: # thick sample idx = numpy.where(muSampleJump > 0.0)[0][0] muSampleJump[0:idx] = muSampleJump[idx] ALPHA = g * (muTotalFluorescence/muSampleJump) + totalCrossSectionBackground/muSampleJump return (spectrum * ALPHA)/(1 + ALPHA - spectrum) elif 1: # all samples (to be tested) d = thickness * density idx = numpy.where(muSampleJump > 0.0)[0][0] muSampleJump[0:idx] = muSampleJump[idx] ALPHA = g * (muTotalFluorescence/muSampleJump) + totalCrossSectionBackground/muSampleJump thickTarget0 = (spectrum * ALPHA)/(1 + ALPHA - spectrum) # Iterate to find the solution x = spectrum t = (ALPHA + 1) * d * muSampleJump/sinIn if t.max() < 0.001: A = 1 - t else: A = numpy.exp(-t) t = (ALPHA * d * muSampleJump/sinIn) if t.max() < 0.001: B = 1.0 - t else: B = numpy.exp(-t) delta = 10.0 i = 0 while (delta > 1.0e-5) and (i < 30): old = x x = thickTarget0 * (1.0 - A) / \ (1.0 - B * numpy.exp(- x * d * muSampleJump/sinIn)) delta = numpy.abs(x - old).max() i += 1 return x else: thickness = 1.0 density = 1.0e-6 # FORMULA Booth and Bridges ALPHA = g * muTotalFluorescence + totalCrossSection tmpFloat0 = density * thickness * ALPHA / sinIn tmpFloat1 = numpy.exp(-tmpFloat0) BETA = (muSampleJump * tmpFloat0) * tmpFloat1 GAMMA = 1.0 - tmpFloat1 b = GAMMA * ( ALPHA - muSampleJump * spectrum + BETA) discriminant = b*b + 4 * ALPHA * BETA * GAMMA * (spectrum - 1.0) return 1 + (-b + numpy.sqrt(discriminant))/(2 * BETA) if __name__ == "__main__": from PyMca.PyMcaIO import specfilewrapper instance = XASSelfattenuationCorrection() configuration = {} configuration['XAS'] = {} configuration['XAS']['material'] = 'Pd' configuration['XAS']['element'] = 'Pd' configuration['XAS']['edge'] = 'L3' configuration['XAS']['energy'] = Elements.Element['Pd']['binding']['L3'] configuration['XAS']['angles'] = [45., 45.] instance.setConfiguration(configuration) normalizedFile = specfilewrapper.Specfile('norm501.dat') normalizedScan = normalizedFile[0] energy, spectrum = normalizedScan[0], normalizedScan[1] normalizedScan = None normalizedFile = None correctedSpectrum = instance.correctNormalizedSpectrum(energy, spectrum) from matplotlib import pyplot as pl pl.plot(energy, spectrum, 'b') pl.plot(energy, correctedSpectrum, 'r') pl.show() normalizedFile = specfilewrapper.Specfile('PdL3Fabrice.DAT') normalizedScan = normalizedFile[0] data = normalizedScan.data() energy = data[1, :] spectrum = data[2, :] corr = data[3, :] normalizedScan = None normalizedFile = None correctedSpectrum = instance.correctNormalizedSpectrum(energy, spectrum) pl.plot(energy, spectrum, 'b') pl.plot(energy, corr, 'y') pl.plot(energy, correctedSpectrum, 'r') pl.show() PyMca5-5.2.2/PyMca5/PyMcaPhysics/xas/__init__.py0000644000276300001750000000000013136054446021275 0ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/PyMcaPhysics/xas/XASClass.py0000644000276300001750000015205713136054446021203 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "M. Sanchez del Rio & V.A. Sole - ESRF" __doc__ = """Processing of XAS data. For the time being, processing is very basic. For state-of-the-art XAS you should take a look at dedicated packages like IFEFFIT or Viper/XANES dactyloscope. Hopefully this module can be enhanced to use those packages if present.""" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import copy import os import sys import numpy import time from PyMca5.PyMca import XASNormalization from PyMca5.PyMca import linalg try: from PyMca5.PyMca import _xas _XAS = True except ImportError: _XAS = False DEBUG = 0 def polynom(x, parameters): if hasattr(x, 'shape'): output = numpy.zeros(x.shape) else: output = 0.0 for i in range(len(parameters)): output += parameters[i] * pow(x, i) return output def victoreen(x, parameters): return parameters[0] * pow(x, -3) + parameters[1] * pow(x, -4) def modifiedVictoreen(x, parameters): return parameters[0] * pow(x, -3) + parameters[1] def e2k(energy, e0=0.0): r""" e2k(energy,e0=0.0): converts from E (eV) to k (A^-1) note: we use the convention that points with E 0) * 2-1) * numpy.sqrt(numpy.abs(tmpx)) * ccte return tmpxx def k2e(kvalues): codata_ec = numpy.array(1.602176565e-19) codata_me = numpy.array(9.10938291e-31) codata_h = numpy.array(6.62606957e-34) codata_hbar = codata_h/2.0/numpy.pi #; converts a set in k to energy #; the negative energies (below edge) are treated as negative k ccte = numpy.power(codata_hbar,2) / (2 / codata_me / codata_ec * 1e20) tmpx = kvalues tmpx = ((tmpx > 0) * 2-1) * tmpx * tmpx * ccte return tmpx def polspl_evaluate(set2,xl,xh,c,nc,nr): r""" polspl_evaluate(set2,xl,xh,c,nc,nr): for internal use of postedge PURPOSE: evaluate the combined spline fitted from its coefficients. INPUTS: set2: the set with the original data xl,xh arrays contain nr adjacent ranges over which to fit individual polynomials. c array containing the polynomial coefficients resulting from the fit nc array that specifies how many poly coeffs to use in each range nr the number of adjacent ranges OUTPUTS: a variable to receive a set with the same abscissas of the input one and the coordinates evaluated from the fit parameters MODIFICATION HISTORY: Written by: Manuel Sanchez del Rio. ESRF, February, 1993 2009-05-13 srio@esrf.eu updated doc 2014-12-04 srio@esrf.eu Translated to python """ fit = set2*0.0 #;change xl(1) and xh(nr) to extrapolate the fit xl[1] = numpy.min(set2[0,:]) xh[nr] = numpy.max(set2[0,:]) #; #; calculatest the first point #; xval=set2[0,0] yval=0.0 for k in range(1,int(nc[1]+1)): yval = yval+ c[k] * numpy.power(xval,(k-1)) fit[0,0] = xval fit[1,0] = yval #; #; now the rest of the points #; if DEBUG: fit2 = fit *1 for i in range(len(set2[0,:])): # loop over all the points for j in range(1,int(nr+1)): # loop over the # of intervals if ((set2[0,i] > xl[j]) and (set2[0,i] <= xh[j])): cstart=numpy.sum(nc[0:j]) xval = set2[0,i] yval = 0.0 for k in range(1,int(nc[j]+1)): yval = yval+ c[cstart+k] * numpy.power(xval,(k-1)) fit2[0,i] = xval fit2[1,i] = yval for j in range(1,int(nr+1)): # loop over the # of intervals idx = (set2[0, :] > xl[j]) & (set2[0,:] <= xh[j]) xval = set2[0, idx] cstart=numpy.sum(nc[0:j]) yval = 0.0 * xval for k in range(1,int(nc[j]+1)): yval += c[cstart+k] * numpy.power(xval,(k-1)) fit[0, idx] = xval fit[1, idx] = yval if DEBUG: print("GOOD? = ", numpy.allclose(fit, fit2)) return fit def polspl(x,y,w,npts,xl,xh,nr,nc): r""" polspl(x,y,w,npts,xl,xh,nr,nc): for internal use of postedge PURPOSE: polynomial spline least squares fit to data points Y(I). only the function and it's first derivative are matched at the knots, in order to give more degrees of freedom in the fit. INPUTS: x(i),i=1,npts abscissas y(i),i=1,npts ordinates w(i),i=1,npts weighting factor in least squares fit fit minimizes the sum of w(i)*(y(i)-poly(x(i)))**2 if uniform weighting is desired, w(i) must be 1. npts: points in x,y arrays. xl,xh arrays contain NR adjacent ranges over which to fit individual polynomials. Array nc specifies how many poly coeffs to use in each range. OUTPUTS: array with all coeffs, the first nc(1) of which belong to the first range, the second nc(2) of which belong to the second range, and so forth. SIDE EFFECTS: Quite inefficient, because it uses a lot of loops inherited from the Fortran code. However, for small set of data it is useful. PROCEDURE: (Translated from a Fortran Code) The method here is to fit ordinary polynomials in X, not B-splines, in order to save space on a mini-computer. This means that the is rather poorly conditioned, and hence the limits on the degree of the polynomial. The method of solution is Lagrange's undetermined multipliers for the knot constraints and gaussian elimination to solve the linear system. MODIFICATION HISTORY: Written by: Manuel Sanchez del Rio. ESRF February, 1993 2014-12-04 srio@esrf.eu Translated to python this subroutine is a translation of the fortran subroutine poslpl.for (found in the Frascati's package of EXAFS data analysis) which header states: SUBROUTINE POLSPL(X,Y,W,NPTS,XL,XH,NR,C,NC) C C POLYNOMIAL SPLINE LEAST SQUARES FIT TO DATA POINTS Y(I). C ONLY THE FUNCTION AND IT'S FIRST DERIVATIVE ARE MATCHED AT THE KNOTS, C IN ORDER TO GIVE MORE DEGREES OF FREEDOM IN THE FIT. C C X(I),I=1,NPTS ABSCISSAS C Y(I),I=1,NPTS ORDINATES C W(I),I=1,NPTS WEIGHTING FACTOR IN LEAST SQUARES FIT C FIT MINIMIZES THE SUM OF W(I)*(Y(I)-POLY(X(I)))**2 C IF UNIFORM WEIGHTING IS DESIRED, W(I) MUST BE 1. C C NPTS POINTS IN X,Y ARRAYS. XL,XH ARRAYS CONTAIN NR ADJACENT RANGES C OVER WHICH TO FIT INDIVIDUAL POLYNOMIALS. ARRAY NC SPECIFIES C HOW MANY POLY COEFFS TO USE IN EACH RANGE. ARRAY C RETURNS C ALL COEFFS, THE FIRST NC(1) OF WHICH BELONG TO THE FIRST RANGE, C THE SECOND NC(2) OF WHICH BELONG TO THE SECOND RANGE, AND SO FORTH. C C THE METHOD HERE IS TO FIT ORDINARY POLYNOMIALS IN X, NOT B-SPLINES, C IN ORDER TO SAVE SPACE ON A MINI-COMPUTER. THIS MEANS THAT THE C FIT IS RATHER POORLY CONDITIONED, AND HENCE THE LIMITS ON THE C DEGREE OF THE POLYNOMIAL. THE METHOD OF SOLUTION IS LAGRANGE'S C UNDETERMINED MULTIPLIERS FOR THE KNOT CONSTRAINTS AND GAUSSIAN C ELIMINATION TO SOLVE THE LINEAR SYSTEM. C """ # ; # ; few definitions # ; df = numpy.zeros(26) a = numpy.zeros((36,37)) nbs = numpy.zeros(11,dtype=int) xk = numpy.zeros(10) c = numpy.zeros(36) j=0 i=0 ne_idl=0 n = 0 k = 0 ibl = 0 ns = 0 ns1 = 0 nbs[1]=1 for i in range(1,nr+1): n=n+int(nc[i]) nbs[i+1]=n+1 if xl[i] < xh[i]: pass else: t=xl[i] xl[i]=xh[i] xh[i]=t n=n+2*(nr-1) n1=n+1 xl[nr+1]=0. xh[nr+1]=0. # this loop ... for ibl in range(1,nr+1): xk[ibl]=.5*(xh[ibl]+xl[ibl+1]) if (xl[ibl] > xl[ibl+1]): xk[ibl]=.5*(xl[ibl]+xh[ibl+1]) ns=nbs[ibl] ne_idl=nbs[ibl+1]-1 for i in range(1, npts+1): if((x[i] < xl[ibl]) or (x[i] > xh[ibl])): pass else: df[ns]=1.0 ns1=ns+1 for j in range(ns1,ne_idl+1): df[j]=df[j-1]*x[i] for j in range(ns,ne_idl+1): for k in range(j,ne_idl+1): a[j,k]=a[j,k]+df[j]*df[k]*w[i] a[j,n1]=a[j,n1]+df[j]*y[i]*w[i] # ... has to be faster ncol=nbs[nr+1]-1 nk=nr-1 if (nk == 0): pass else: for ik in range(1,nk+1): ncol=ncol+1 ns=nbs[ik] ne_idl=nbs[ik+1]-1 a[ns,ncol]=-1. ns=ns+1 for i in range(ns,ne_idl+1): a[i,ncol]=a[i-1,ncol]*xk[ik] ncol=ncol+1 a[ns,ncol]=-1. ns=ns+1 if (ns > ne_idl): pass else: for i in range(ns,ne_idl+1): a[i,ncol]=(ns-i-2)*numpy.power(xk[ik],(i-ns+1)) ncol=ncol-1 ns=nbs[ik+1] ne_idl=nbs[ik+2]-1 a[ns,ncol]=1.0 ns=ns+1 for i in range(ns,ne_idl+1): a[i,ncol]=a[i-1,ncol]*xk[ik] ncol=ncol+1 a[ns,ncol]=1.0 ns=ns+1 if (ns > ne_idl): pass else: for i in range(ns,ne_idl+1): a[i,ncol]=(i-ns+2)*numpy.power(xk[ik],(i-ns+1)) for i in range(1,n+1): i1=i-1 for j in range(1,i1+1): a[i,j]=a[j,i] nm1=n-1 for i in range(1,nm1+1): i1=i+1 m=i t=numpy.abs(a[i,i]) for j in range(i1,n+1): if (t >= numpy.abs(a[j,i])): pass else: m=j t=numpy.abs(a[j,i]) if (m == i): pass else: for j in range(1,n1+1): t=a[i,j] a[i,j]=a[m,j] a[m,j]=t for j in range(i1,n+1): t=a[j,i]/a[i,i] for k in range(i1,n1+1): a[j,k]=a[j,k]-t*a[i,k] c[n]=a[n,n1]/a[n,n] for i in range(1,nm1+1): ni=n-i t=a[ni,n1] ni1=ni+1 for j in range(ni1,n+1): t=t-c[j]*a[ni,j] c[ni]=t/a[ni,ni] return c def polspl_test(): r""" polspl_test(): to test polspl () """ set22 = numpy.loadtxt('set22.dat') set22 = set22.T npts = len(set22[1,:]) w = numpy.ones(npts+1) xx = numpy.zeros(npts+1) yy = numpy.zeros(npts+1) #w=w*0.0+1.0 xx[1:npts+1]=set22[0,:] yy[1:npts+1]=set22[1,:] xl = numpy.array( [ 0.0000000, 0.0000000, \ 7.6354497, 15.270899, 0.0000000,\ 0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0000000 ]) xh = numpy.array( [ 0.0000000, 7.6354497,\ 15.270899, 22.906349, 0.0000000, 0.0000000,\ 0.0000000, 0.0000000, 0.0000000, 0.0000000 ] ) nc = numpy.array( [ 0.0000000, 4.0000000,\ 4.0000000, 4.0000000, 0.0000000, 0.0000000,\ 0.0000000, 0.0000000, 0.0000000, 0.0000000 ], dtype=numpy.int32) nr = 3 c = polspl(xx,yy,w,npts,xl,xh,nr,nc) #print("set22.shape",set22.shape) fit = polspl_evaluate(set22,xl,xh,c,nc,nr) #print("fit.shape",fit.shape) #print("c: ",c) #print("fit: ",fit) return def postEdge(set2,kmin=None,kmax=None,polDegree=[3,3,3],knots=None, full=False): r""" postEdge(set2,kmin=None,kmax=None,polDegree=[3,3,3],knots=None) PURPOSE: This procedure calculates the post edge fit of a xafs spectrum INPUTS: set2: input set of data KEYWORD PARAMETERS: kmin the bottom limit for the fit (defaults kmin=0) kmax the upper limit for the fit (defaults max) OUTPUTS: a set with the fit MODIFICATION HISTORY: Written by: Manuel Sanchez del Rio. ESRF February, 1993 1996-08-13 MSR (srio@esrf.fr) changes wmenu->wmenu2 and xtext->widget_message 1998-10-01 srio@esrf.fr adapts for delia. 2000-02-12 MSR (srio@esrf.fr) adds Dialog_Parent keyword 2014-12-04 srio@esrf.eu Translated to python """ #Note that in/out arrays are numpy way: numpy.array((npoints,2)) xl = numpy.zeros(10) xh = numpy.zeros(10) c = numpy.zeros(36) nc = numpy.zeros(10, numpy.int32) if len(polDegree) > 10: print("Error: Maximum number of intervals is 10") print(" Number of intervals forced to 10") polDegree = polDegree[0:9] x1 = 0.0 # set2[:,0].min() x2 = set2[:,0].max() if kmin != None: x1 = kmin if kmax != None: x2 = kmax xrange1 = [x1,x2] if DEBUG: print("++++++++++++++++++",xrange1) if knots not in [None, []]: if len(knots) == len(polDegree): if knots[0] > kmin: knots = [kmin] + list(knots) elif knots[-1] < kmax: knots = list(knots) + [kmax] elif len(knots) == (len(polDegree) - 1): # probably just given the intermediate knots if knots[0] > kmin: knots = [kmin] + list(knots) if knots[-1] < kmax: knots = list(knots) + [kmax] if ( (len(polDegree)+1) != len(knots) ): print("Error: dimension of knots must be dimension of polDegree+1") print(" Forced automatic (equidistant) knot definition.") knots = None else: xrange1 = knots[0],knots[-1] nr = len(polDegree) xl[1] = xrange1[0] xh[nr] = xrange1[1] for i in range(1,nr+1): nc[i] = polDegree[i-1] + 1 if knots == None: step = (xh[nr]-xl[1])/float(nr) for i in range(1,nr): xl[i+1] = xl[i] + step xh[i] = xl[i+1] else: for i in range(1,nr): xl[i+1] = knots[i] xh[i] = xl[i+1] # # select only points in selected interval # goodi = (set2[:,0] >= xrange1[0]) & (set2[:,0] <= xrange1[1]) set22 = set2[goodi,:] if DEBUG: print(' Number of fitting points: %d'%(len(set22[:,0]))) print(' polynomials used for fitting: %d'%(nr)) print('# degree min max') for i in range(1,nr+1): print("%d %9d %9.2f %9.2f "%(i,nc[i]-1,xl[i],xh[i])) # ; # ; call spline # ; npts = len(set22[:,0]) w = numpy.ones(npts+1) xx = numpy.zeros(npts+1) yy = numpy.zeros(npts+1) xx[1:] = set22[:,0] yy[1:] = set22[:,1] #t0 = time.time() if _XAS: c = _xas.polspl(xx,yy,w,npts,xl,xh,nr,nc) if DEBUG: t0 = time.time() c2 = polspl(xx,yy,w,npts,xl,xh,nr,nc) print("polspl elapsed = ", time.time() - t0) print("OK?", numpy.allclose(c, c2)) else: c = polspl(xx,yy,w,npts,xl,xh,nr,nc) #TODO: polspl_evaluate receives and returns arrays like IDL (2,npoints) #t0 = time.time() fit0 = polspl_evaluate(set2.T,xl,xh,c,nc,nr) #print("polspl_evaluate elapsed = ", time.time() - t0) if full: xNodes = numpy.zeros((nr-1,), dtype=numpy.float32) yNodes = numpy.zeros((nr-1,), dtype=numpy.float32) for j in range(1,int(nr)): # loop over the # of intervals xval = xh[j] cstart=numpy.sum(nc[0:j]) yval = 0.0 for k in range(1,int(nc[j]+1)): yval += c[cstart+k] * numpy.power(xval,(k-1)) xNodes[j-1] = xval yNodes[j-1] = yval return fit0.T, xNodes, yNodes else: return fit0.T def postEdge0(k, mu, kmin=None, kmax=None, degrees=(3, 3, 3), knots=None, full=False): set0 = numpy.zeros((k.size, 2), dtype=k.dtype) set0[:, 0] = k set0[:, 1] = mu return postEdge(set0, kmin, kmax, degrees, knots=knots, full=full) def getFTWindowWeights(tk, window="Gaussian", windpar=0.2, wrange=None): r""" window_ftr(setin,window=1,windpar=0.2,wrange=None) PURPOSE: This procedure calculates and applies a weighting window to a set INPUTS: setin: either: numpy.array(npoints,ncols) set of data (CASE A) numpy.array(npoints) array of abscissas (CASE B) OUTPUT: depends on the case: CASE A: numpy.array(npoints,ncol) set with the weigted set (in index [:,1]) CASE B: numpy.array(npoints) the values of the weights KEYWORD PARAMETERS: window = kind of window: 0 Gaussian Window (default) 1 Hanning Window 2 Box 3 Parzen (triangular) 4 Welch 5 Hamming 6 Tukey 7 Papul windpar Parameter for windowing If WINDOW=(2,3,4,5,6) this sets the width of the apodization (default=0.2) wrange = [xmin,xmax] the limits of the window. If wrange is not set, the take the minimum and maximum values of the abscisas. The window has value zero outside this interval. MODIFICATION HISTORY: Written by: Manuel Sanchez del Rio. ESRF March, 1993 96-08-14 MSR (srio@esrf.fr) adds names keyword. 06-03-14 srio@esrf.fr always exits "names" 2014-12-03 srio@esrf.eu translated to python ;- """ names = ['Gaussian', 'Hanning', 'Box','Parzen','Welch', 'Hamming', 'Tukey', 'Papul', 'Kaiser'] if hasattr(window, "lower"): window = window[0].upper() + window[1:].lower() else: window = names[window] if DEBUG: print("Using window ", window) if wrange == None: xmax = tk.max() xmin = tk.min() else: xmin = wrange[0] xmax = wrange[1] xp = (xmax + xmin) / 2. xm = xmax - xmin apo1 = xmin + windpar apo2 = xmax - windpar npoint = len(tk) wind = numpy.ones(npoint, dtype=numpy.float) if window in ["Gaussian", "Gauss"]: wind = numpy.power((tk - xp)/xm, 2) wind = numpy.exp(-wind * 9.2) elif window == "Hanning": for i in range(npoint): if tk[i] <= apo1: wind[i] = 0.5*(1.0-numpy.cos(numpy.pi*(tk[i]-xmin)/windpar)) if tk[i] >= apo2: wind[i] = 0.5*(1.0+numpy.cos(numpy.pi*(tk[i]-apo2)/windpar)) elif window == "Box": for i in range(npoint): if tk[i] <= apo1: wind[i] = 0.0 if tk[i] >= apo2: wind[i] = 0.0 elif window in ["Parzen", "Triangle", "Triangular"]: for i in range(npoint): if tk[i] <= apo1: wind[i] = (tk[i]-xmin)/windpar if tk[i] >= apo2: wind[i] = 1 - (tk[i]-apo2)/windpar elif window == "Welch": for i in range(npoint): if tk[i] <= apo1: wind[i] = 1.0 - numpy.power( ( (tk[i]-apo1) / windpar), 2) if tk[i] >= apo2: wind[i] = 1.0 - numpy.power( (tk[i]-apo2) / windpar, 2 ) elif window == "Hamming": for i in range(npoint): if tk[i] <= apo1: wind[i] = 1.08 - (.54+0.46*numpy.cos(numpy.pi*(tk[i]-xmin)/windpar)) if tk[i] >= apo2: wind[i] = 1.08 - (.54-0.46*numpy.cos(numpy.pi*(tk[i]-apo2)/windpar)) elif window == "Tukey": for i in range(npoint): if tk[i] <= apo1: wind[i] = 1.0 - numpy.power(numpy.cos(0.5*numpy.pi*(tk[i]-xmin)/windpar),2) if tk[i] >= apo2: wind[i] = numpy.power(numpy.cos(-0.5*numpy.pi*(tk[i]-apo2)/windpar),2) elif window == "Papul": for i in range(npoint): if tk[i] <= apo1: a=(1./numpy.pi)*numpy.sin(numpy.pi*(tk[i]-xmin)/windpar) + \ (1.-(tk[i]-xmin)/windpar)*numpy.cos(numpy.pi*(tk[i]-xmin)/windpar) wind[i] = 1.0 - a if tk[i] >= apo2: a=(1./numpy.pi)*numpy.sin(numpy.pi*(tk[i]-apo2)/windpar) + \ (1.-(tk[i]-apo2)/windpar)*numpy.cos(numpy.pi*(tk[i]-apo2)/windpar) wind[i] = a elif _XAS and window in ["Kaiser", "Kasel"]: wind= (_xas.j0(windpar * numpy.sqrt(1. - 4.0 * pow((tk-xp)/xm, 2))) - 1.0)/ (_xas.j0(windpar) - 1.0) else: raise ValueError("Window <%s> not implemented" % window) return wind def getFT(k, exafs, npoints=2048, rrange=(0.0, 7.0), krange=None, kstep=0.02, kweight=0, window="gaussian", apodization=0.2, wweights=None): if krange is not None: idx = (k >= krange[0]) & (k <= krange[1]) k = k[idx] exafs = exafs[idx] if wweights is None: wweights = getFTWindowWeights(k, window=window, windpar=apodization, wrange=krange) if 0: set3 = numpy.zeros((k.size, 2), dtype=numpy.float) set3[:, 0] = k set3[:, 1] = exafs * wweights setFT = exex.fastftr(set3,npoint=npoints,rrange=[0.,7.],kstep=0.02) npoint2 = k.size xmin = k[0] xmax = k[-1] # ; # ; creates the input interpolated values # ; interpolatedDataX = numpy.linspace(0.0, npoints-1, npoints) * kstep interpolatedDataY = numpy.interp( interpolatedDataX , k, wweights * exafs * pow(k, kweight), left=0.0, right=0.0) # ; calculates the fft and generates the conjugated variable (rr) ff = numpy.fft.ifft(interpolatedDataY) rstep = numpy.pi / npoints / kstep rr = numpy.linspace(0.0, npoints-1, npoints) * rstep # ; # ; prepare the results # ; coef = npoints * kstep / numpy.sqrt(numpy.pi) * numpy.sqrt(2.) f12 = coef*numpy.real(ff) # real part of fft f13 = coef*numpy.imag(ff)*(-1.) # imaginary part of fft # ; # ; cut the results to the selected interval in r (rrange) # ; goodi = (rr >= rrange[0]) & (rr <= rrange[1]) f13 = f13[goodi] f12 = f12[goodi] f10 = rr[goodi] f11 = numpy.sqrt( f12*f12 + f13*f13) # ; # ; define the result array # ; fourier = numpy.zeros((len(f10),4)) fourier[:,0] = f10 fourier[:,1] = f11 fourier[:,2] = f12 fourier[:,3] = f13 #print("OK = ", numpy.allclose(fourier, setFT)) ddict = {} ddict["Set"] = fourier ddict["InterpolatedK"] = interpolatedDataX ddict["InterpolatedSignal"] = interpolatedDataY ddict["KWeight"] = kweight ddict["K"] = k ddict["WindowWeight"] = wweights ddict["FTRadius"] = f10 ddict["FTIntensity"] = f11 ddict["FTReal"] = f12 ddict["FTImaginary"] = f13 return ddict def getBackFT(fourier,npoint=4096,krange=[2.0,12.0],rstep=None,rmin=None,rmax=None): r""" fastbftr(fourier,npoint=4096,krange=[2.0,12.0],rstep=None,rmin=None,rmax=None) PURPOSE: This procedure calculates the Back Fast Fourier Transform of a set INPUTS: fourier: a 4 col set with r,modulus,real and imaginary part of a Fourier Transform of an Exafs spectum, as produced by FTR or FASTFTR procedures KEYWORD PARAMETERS: krange=[kmin,kmax] : range of the conjugated variable for the transformation (default = [2,15]) npoint= number of points of the the fft calculation (default = 4096) rstep = when this keyword is set then the fourier set is interpolated using the indicated value as step. Otherwise the fourier set is not interpolated. rmin = the mimimun r for the back fourier filtering rmax = the maximum r for the back fourier filtering OUTPUTS: This procedure returns a 4-columns set (backftr) with the conjugated variable (k) in column 0, the real part of the BFT in col 1, the modulus in col 2 and the phase in col 3. MODIFICATION HISTORY: Written by: Manuel Sanchez del Rio. ESRF March, 1993 98-10-26 srio@esrf.fr uses Dialog_Message for error messages. 20141204 srio@esrf.eu Translated to python """ kmin = krange[0] kmax = krange[1] npt = len(fourier[:,0]) fou = numpy.zeros((npoint,4)) if rmin == None: rmin = (fourier[:,0]).min() if rmax == None: rmax = (fourier[:,0]).max() #; #; fill "fou" set #; if rstep == None: #;--- no interpolation nn = int(npt/2) rstep = fourier[nn+1,0] - fourier[nn,0] rstep2 = fourier[nn+2,0] - fourier[nn+1,0] rdiff = numpy.abs (rstep - rstep2) if DEBUG: print(' back rstep = %f'%(rstep)) print(' rdiff = %f'%rdiff) if (rdiff >= 1e-6): raise ValueError("r griding is not regular; Use rstep keyword -> Abort") #return fou ptstart = int(rmin/rstep) if DEBUG: print(' ptstart = %d'%ptstart) print(' ptstart+npt = %d'%(ptstart+npt)) fou[ptstart:ptstart+npt,:]=fourier else: #;--- interpolation fou[:,0] = numpy.linspace(0,0,npoint-1,npoint)*rstep fou[:,1] = numpy.interp(fou[:,0],fourier[:,0],fourier[:,1],left=0.0,right=0.0) fou[:,2] = numpy.interp(fou[:,0],fourier[:,0],fourier[:,2],left=0.0,right=0.0) fou[:,3] = numpy.interp(fou[:,0],fourier[:,0],fourier[:,3],left=0.0,right=0.0) #; #; call back fft #; c = fou[:,2] - 1.0j * fou[:,3] af = numpy.fft.fft(c) #; #; create the array of the conjugated variable #; kstep = numpy.pi/npoint/rstep kk = numpy.linspace(0.0,npoint-1,npoint)*kstep #; #; prepare the output array #; coef = npoint*kstep/numpy.sqrt(numpy.pi)*numpy.sqrt(2.) # coefficienu used for direct fft coef1 = 2./coef # 2 because we are only afr = coef1 * af.real # real part of back fft afi = coef1 * af.imag # imaginary part of back fft #; #; cut the results to the selected interval in k (krange) #; goodi = (kk >= kmin) & (kk <= kmax) afr = afr[goodi] afi = afi[goodi] afk = kk[goodi] nptout = len(afr) #; #; define the output set #; backftr = numpy.zeros((nptout,4)) backftr[:,0] = afk # the conjugated variable (k [A^-1]) backftr[:,1] = afr # the real part of backftr or atra backftr[:,2] = numpy.sqrt(afr*afr+afi*afi) # the modulus of backftr backftr[:,3] = numpy.arctan2(afi,afr) # the phase return backftr class XASClass(object): def __init__(self, backend=None): # This lists are to be updated as larch or any other backend # is available self._e0MethodList = ("Manual", "Auto - No Smooth", "Auto - 3pt SG", "Auto - 5pt SG", "Auto - 7pt SG", "Auto - 9pt SG") self._e0MethodDict = { "Manual": {"function": self._calculateE0, "vars":None, "kw":None}, "Auto - No Smooth": {"function": self._calculateE0, "vars":None, "kw":None}, "Auto - 3pt SG": {"function": self._calculateE0, "vars":None, "kw":None}, "Auto - 5pt SG": {"function": self._calculateE0, "vars":None, "kw":None}, "Auto - 7pt SG": {"function": self._calculateE0, "vars":None, "kw":None}, "Auto - 9pt SG": {"function": self._calculateE0, "vars":None, "kw":None}} # list of polynomials available self._polynomList = ['Modif. Victoreen', 'Victoreen', 'Constant', 'Linear', 'Parabolic', 'Cubic'] self._polynomDict = { "Modif. Victoreen":{"function":modifiedVictoreen, "vars":None, "kw":None}, "Victoreen":{"function":victoreen, "vars":None, "kw":None}, "Constant":{"function":polynom, "vars":None, "kw":None}, "Linear":{"function":polynom, "vars":None, "kw":None}, "Parabolic":{"function":polynom, "vars":None, "kw":None}, "Cubic":{"function":polynom, "vars":None, "kw":None}} self._configuration = self.getDefaultConfiguration(backend) self._processingPending = True self._energy = None self._mu = None def getDefaultConfiguration(self, backend=None): configuration = {} if backend in [None, "Default", "DefaultBackend"]: configuration["DefaultBackend"] = {} config = configuration["DefaultBackend"] else: raise ValueError("Only default backend supported") config = configuration[backend] # normalization # E0 and pre-edge will be used for EXAFS extraction # PostEdge will only be used for the normalized spectrum # because EXAFS extraction follows its own methods # None parameters are to be derived from input spectrum config["Normalization"] = {} ddict = config["Normalization"] ddict["E0Method"] = "Auto - 5pt SG" ddict["E0Value"] = None ddict["E0MinValue"] = None ddict["E0MaxValue"] = None ddict["JumpNormalizationMethod"] = "Flattened" ddict["JumpNormalizationMethodList"] = ["Constant", "Flattened"] # limits to be used (relative to E0) ddict["PreEdge"] = {} ddict["PreEdge"] ["Method"] = "Polynomial" ddict["PreEdge"] ["Polynomial"] = "Linear" # Regions is a single list with 2 * n values delimiting n regions. ddict["PreEdge"] ["Regions"] = [-1000., -40.] ddict["PostEdge"] = {} ddict["PostEdge"] ["Method"] = "Polynomial" ddict["PostEdge"] ["Polynomial"] = "Linear" ddict["PostEdge"] ["Regions"] = [20., 500.] # EXAFS config["EXAFS"] = {} ddict = config["EXAFS"] # k grid # None parameters are to be derived from spectrum ddict["Grid"] = {} ddict["KMin"] = None ddict["KMax"] = None ddict["KWeight"] = 0 ddict["Delta"] = None ddict["Nodes"] = None # extraction ddict["Normalization"] = "Fit" #ddict["Normalization"] = "Jump" # Normalization possibilities: Fit, Jump, Extrapolation" ddict["ExtractionMethod"] = "Knots" # Implement "Knots", "Victoreen", "Modif. Victoreen" ddict["Knots"] = {} ddict["Knots"] ["Number"] = 3 ddict["Knots"] ["Values"] = None ddict["Knots"] ["Orders"] = [3, 2, 2, 3] # one more than knots # FT """ window = kind of window: 1 Gaussian Window (default) 2 Hanning Window 3 Box 4 Parzen (triangular) 5 Welch 6 Hamming 7 Tukey 8 Papul windpar Parameter for windowing If WINDOW=(2,3,4,5,6) this sets the width of the apodization (default=0.2) wrange = [xmin,xmax] the limits of the window. If wrange is not set, the take the minimum and maximum values of the abscisas. The window has value zero outside this interval. """ config["FT"] = {} ddict = config["FT"] ddict["Window"] = "Gaussian" ddict["WindowList"] = ["Gaussian", "Hanning", "Box", "Parzen", "Welch", "Hamming", "Tukey", "Papul"] ddict["WindowApodization"] = 0.02 ddict["WindowRange"] = None ddict["KStep"] = 0.04 ddict["Points"] = 2048 ddict["Range"] = [0.0, 7.0] # Back-FT config["BFT"] = {} ddict = config["BFT"] ddict["KRange"] = [2.0, 12.0] ddict["Points"] = 2048 ddict["Range"] = [0.0, 6.0] return configuration def setConfiguration(self, configuration, backend=None): if backend not in [None, "Default", "DefaultBackend"]: raise ValueError("Only default backend implemented") else: if "DefaultBackend" in configuration: inputConfig = configuration["DefaultBackend"] else: inputConfig = configuration backend = "DefaultBackend" currentConfig = self.getConfiguration(backend=backend) newConfiguration = \ self.mergeConfigurationDicts(currentConfig, inputConfig) self._configuration[backend] = newConfiguration self._processingPending = True def mergeConfigurationDicts(self, referenceDict, inputDict): destinationDict = {} referenceKeys = list(referenceDict.keys()) for referenceKey in referenceKeys: ref = referenceDict[referenceKey] referenceLower = referenceKey.lower() treated = False for key in inputDict: if key.lower() == referenceLower: if hasattr(referenceDict[referenceKey], "keys"): inp = inputDict[key] destinationDict[referenceKey] = \ self.mergeConfigurationDicts(ref, inp) else: destinationDict[referenceKey] = inputDict[key] treated = True break if not treated: if hasattr(referenceDict[referenceKey], "keys"): destinationDict[referenceKey] = copy.deepcopy(ref) else: destinationDict[referenceKey] = ref return destinationDict def getConfiguration(self, backend=None): if backend not in [None, "Default", "DefaultBackend", "All", "all"]: raise ValueError("Only default backend implemented") if backend in ["all", "All"]: return copy.deepcopy(self._configuration) else: return copy.deepcopy(self._configuration["DefaultBackend"]) def setSpectrum(self, energy, mu, units=None, sanitize=True): self._lastE0CalculationDict = None energy0 = numpy.array(energy, dtype=numpy.float64, copy=True) mu0 = numpy.array(mu, dtype=numpy.float64, copy=True) energy0.shape = -1 mu0.shape = -1 self._equidistant = False # TODO: This should become a function to be called on its own # make sure data are sorted idx = energy.argsort(kind='mergesort') energy = numpy.take(energy0, idx) mu = numpy.take(mu0, idx) # make sure data are strictly increasing delta = energy[1:] - energy[:-1] dmin = delta.min() dmax = delta.max() if delta.min() <= 1.0e-10: # force data to be strictly increasing # although we do not consider last point idx = numpy.nonzero(delta>0)[0] energy = numpy.take(energy, idx) mu = numpy.take(mu, idx) delta = None if dmin == dmax: equidistant = True else: equidistant = False if units is None: if (energy[-1] - energy[0]) < 10: units = "keV" else: units = "eV" if units.lower() not in ["kev", "ev"]: raise ValueError("Unhandled units %s" % units) elif units.lower() == "kev": energy *= 1000. energy0 *= 1000. # everything went well, update internal variables self._energy0 = energy0 self._mu0 = mu0 self._energy = energy self._mu = mu self._units = units self._equidistant = equidistant def processSpectrum(self): e0 = self.calculateE0() ddict = self.normalize() """ return {"Jump": jump, "NormalizedEnergy": energy, "NormalizedMu":normalizedSpectrum, "NormalizedBackground": data["PreEdge"], "NormalizedSignal":data["PostEdge"]} """ ddict["Energy"] = self._energy ddict["Mu"] = self._mu cleanMu = self._mu - ddict["NormalizedBackground"] kValues = e2k(self._energy - e0) ddict.update(self.postEdge(kValues, cleanMu)) dataSet = numpy.zeros((cleanMu.size, 2), numpy.float) dataSet[:, 0] = kValues dataSet[:, 1] = cleanMu # normalization exafs = (cleanMu - ddict["PostEdgeB"]) / ddict["PostEdgeB"] ddict["EXAFSEnergy"] = k2e(kValues) ddict["EXAFSKValues"] = kValues ddict["EXAFSSignal"] = cleanMu if ddict["KWeight"]: exafs *= pow(kValues, ddict["KWeight"]) ddict["EXAFSNormalized"] = exafs set2 = dataSet * 1 set2[:,1] = exafs #remove points with k<2 goodi = (set2[:,0] >= ddict["KMin"]) & (set2[:,0] <= ddict["KMax"]) set2 = set2[goodi,:] #plotSet(set2,xtitle="k [$A^{-1}$]",ytitle="$\chi$", toptitle=" CUCU EXAFS") # FT # window if 0: set2 = exex.window_ftr(set2,window=8,windpar=3) setFT = exex.fastftr(set2,npoint=4096,rrange=[0.,7.],kstep=0.02) else: #setFT = getFT(set2[:,0], set2[:, 1], npoints=2048, # krange=(ddict["KMin"], ddict["KMax"]),\ # rrange=[0.,7.],kstep=0.02) setFT = self.fourierTransform(set2[:,0], set2[:, 1], kMin=ddict["KMin"], kMax=ddict["KMax"]) ddict["FT"] = setFT if 0: # BFT setBFT = getBackFT(setFT["Set"],rmin=1.0,rmax=3.0,krange=[2.0,20.0]) ddict["BFT"] = setBFT return ddict def fourierTransform(self, k, mu, kMin=None, kMax=None, backend=None): if backend not in [None, "Default", "DefaultBackend"]: raise ValueError("Only default backend implemented") else: backend = "DefaultBackend" config = self._configuration[backend]["FT"] if kMin is None: kMin = k.min() if kMax is None: kMax = k.max() kRange = config["WindowRange"] if config["WindowRange"] in [None, "None"]: kRange = [kMin, kMax] else: kRange = [max(kRange[0], kMin), min(kRange[1], kMax)] return getFT(k, mu, npoints=config["Points"], krange=kRange,\ window=config.get("Window", "Gaussian"), apodization=config.get("WindowApodization", 0.02), rrange=config["Range"], kstep=config["KStep"]) def postEdge(self, k, mu, backend=None): if backend not in [None, "Default", "DefaultBackend"]: raise ValueError("Only default backend implemented") else: backend = "DefaultBackend" config = self._configuration[backend]["EXAFS"] method = config["ExtractionMethod"] # Grid kMin = config["KMin"] kMax = config["KMax"] kWeight = config["KWeight"] if kMin is None: kMin = 2 if kMax is None: kMax = k.max() else: kMax = min(k.max(), kMax) number = config["Knots"].get("Number", 0) if number == 0: knots = None if not hasattr(config["Knots"]["Orders"], "__len__"): config["Knots"]["Orders"] = [config["Knots"]["Orders"]] else: knots = config["Knots"]["Values"] if not hasattr(knots, "__len__"): knots = [knots] fit0, xNodes, yNodes = postEdge0(k, mu, kMin, kMax, config["Knots"]["Orders"], knots=knots, full=True) ddict = {} ddict["PostEdgeK"] = fit0[:, 0] ddict["PostEdgeB"] = fit0[:, 1] ddict["KnotsX"] = xNodes ddict["KnotsY"] = yNodes ddict["KMin"] = kMin ddict["KMax"] = kMax ddict["KWeight"] = kWeight # TODO: add polynomials? return ddict def calculateE0(self, energy=None, mu=None, backend=None): self._lastE0CalculationDict = None if energy is None: energy = self._energy if mu is None: mu = self._mu if backend not in [None, "Default", "DefaultBackend"]: raise ValueError("Only default backend implemented") else: backend = "DefaultBackend" config = self._configuration[backend]["Normalization"] method = config["E0Method"] fun = self._e0MethodDict[method]["function"] varList = self._e0MethodDict[method]["vars"] kwDict = self._e0MethodDict[method]["kw"] if (varList is None) and (kwDict is None): outputDict = fun(energy, mu, config) elif varList is None: outputDict = fun(energy, mu, config, **kwDict) else: outputDict = fun(energy, mu, config, *varList) return outputDict["edge"] def _calculateE0(self, energy, mu, config): method = config["E0Method"] methodLower = method.lower() e0 = config["E0Value"] eMin = config["E0MinValue"] eMax = config["E0MaxValue"] if eMin is None: eMin = energy.min() if eMax is None: eMax = energy.max() if (e0 is None) and methodLower.endswith("manual"): raise ValueError("Edge energy not set") if (id(energy) == id(self._energy)) and self._equidistant: # data do not need to be interpolated if DEBUG: print("NO INTERPOLATION") eWork = energy muWork = mu else: nWorkingPoints = 10 * energy.size eWork = numpy.linspace(energy[1], energy[-2], nWorkingPoints) muWork = numpy.interp(eWork, energy, mu, mu[0], mu[-1]) eWork.shape = -1 muWork.shape = -1 methodLower = method.lower() if methodLower.endswith("manual"): return {"edge":e0} elif methodLower.endswith("no smooth"): idx = numpy.gradient(muWork).argmax() return eWork[idx] elif methodLower.endswith("3pt sg"): npoints = 3 elif methodLower.endswith("5pt sg"): npoints = 5 elif methodLower.endswith("7pt sg"): npoints = 7 elif methodLower.endswith("9pt sg"): npoints = 9 else: raise ValueError("Method <%s> not implemented" % method) # Returning dictionnary can contain: # The edge energy (mandatory) # The interpolated spectrum (if any) # The derivative spectrum (if any) ddict = XASNormalization.getE0SavitzkyGolay(eWork, muWork, \ points=npoints, full=True) self._lastE0CalculationDict = ddict return ddict def _getRegionsData(self, x0, y0, regions): x = x0[:] y = y0[:] x.shape = -1 y.shape = -1 i = 0 for region in regions: xmin, xmax = region toidx = numpy.nonzero((x >=xmin) & (x <= xmax))[0] if i == 0: i = 1 idx = toidx else: idx = numpy.concatenate((idx, toidx), axis = 0) xOut = numpy.take(x, idx) yOut = numpy.take(y, idx) return xOut, yOut def normalize(self, energy=None, mu=None, backend=None): if energy is None: energy = self._energy else: self._lastE0CalculationDict = None if mu is None: mu = self._mu else: self._lastE0CalculationDict = None if backend not in [None, "Default", "DefaultBackend"]: raise ValueError("Only default backend implemented") else: backend = "DefaultBackend" config = self._configuration[backend]["Normalization"] # reference values eMin = energy.min() eMax = energy.max() # e0 if self._lastE0CalculationDict is None: e0 = self.calculateE0(energy, mu, backend=backend) else: e0 = self._lastE0CalculationDict["edge"] parameters = {} data = {} for key in ["PreEdge", "PostEdge"]: # pre-edge # Regions is a single list with 2 * n values delimiting n regions. regions = config [key] ["Regions"] edgeMethod = config[key]["Method"] if edgeMethod.lower() != "polynomial": raise ValueError("Only normalization with polynomials implemented") method = config[key]["Polynomial"] methodLower = method.lower() if regions is None: if key == "PreEdge": regions = [-1000., -40.] else: regions = [20., 1000.] workingRegions = [] if key == "PreEdge": plotMin = eMax for i in range(0, len(regions), 2): vMin = e0 + regions[2 * i] vMax = e0 + regions[2 * i + 1] if vMin < eMin: vMin = eMin if vMax < eMin: vMax = 0.5 * (eMin + e0) if vMin < plotMin: plotMin = vMin workingRegions.append([vMin, vMax]) else: plotMax = eMin for i in range(0, len(regions), 2): vMin = e0 + regions[2 * i] vMax = e0 + regions[2 * i + 1] if vMin > eMax: vMin = 0.5 * (e0 + eMax) if vMax < eMin: vMax = eMax if vMax > plotMax: plotMax = vMax workingRegions.append([vMin, vMax]) x, y = self._getRegionsData(energy, mu, workingRegions) if methodLower == "constant": modelMatrix = numpy.ones((x.size, 1), numpy.float) #parameters[key] = y.mean() elif methodLower == "linear": modelMatrix = numpy.empty((x.size, 2), numpy.float) modelMatrix[:, 0] = 1.0 modelMatrix[:, 1] = x elif methodLower == "parabolic": modelMatrix = numpy.empty((x.size, 3), numpy.float) modelMatrix[:, 0] = 1.0 modelMatrix[:, 1] = x modelMatrix[:, 2] = pow(x, 2) elif methodLower == "cubic": modelMatrix = numpy.empty((x.size, 4), numpy.float) modelMatrix[:, 0] = 1.0 modelMatrix[:, 1] = x modelMatrix[:, 2] = pow(x, 2) modelMatrix[:, 3] = pow(x, 3) elif methodLower == "victoreen": modelMatrix = numpy.empty((x.size, 2), numpy.float) modelMatrix[:,0] = pow(x, -3) modelMatrix[:,1] = pow(x, -4) elif methodLower == "modif. victoreen": modelMatrix = numpy.empty((x.size, 2), numpy.float) modelMatrix[:,0] = pow(x, -3) modelMatrix[:,1] = 1.0 else: raise ValueError("Unhandled %s polynomial <%s> " % \ (key, config[key]["Polynomial"])) parameters[key] = linalg.lstsq(modelMatrix, y, uncertainties=False, weight=False)[0] fun = self._polynomDict[method]["function"] if key == "PreEdge": funPre = fun data[key] = fun(energy, parameters[key]) jump = fun(e0, parameters["PostEdge"]) - \ funPre(e0, parameters["PreEdge"]) #normalizedSpectrum = (mu - data["PreEdge"])/(data["PostEdge"] jumpMethod = config.get("JumpNormalizationMethod", "Flattened") normalizedSpectrum = (mu - data["PreEdge"])/jump if jumpMethod in [0, "Constant", "constant"]: jumpMethod = "Constant" pass elif jumpMethod in [1, "Flattened", "flattened", "Flatten", "flatten"]: jumpMethod = "Flattened" i = numpy.argmin(energy < e0) normalizedSpectrum[i:] *= (jump / \ (data["PostEdge"] - data["PreEdge"])[i:]) else: print("WARNING: Undefined jump normalization method. Assume Flattened") jumpMethod = "Flattened" i = numpy.argmin(energy < e0) normalizedSpectrum[i:] *= (jump / \ (data["PostEdge"] - data["PreEdge"])[i:]) return {"Jump": jump, "JumpNormalizationMethod":jumpMethod, "Edge":e0, "NormalizedEnergy": energy, "NormalizedMu":normalizedSpectrum, "NormalizedBackground": data["PreEdge"], "NormalizedSignal":data["PostEdge"], "NormalizedPlotMin": plotMin, "NormalizedPlotMax":plotMax} if __name__ == "__main__": import os import sys from PyMca5.PyMcaIO import specfilewrapper as specfile from PyMca5.PyMcaDataDir import PYMCA_DATA_DIR if len(sys.argv) > 1: fileName = sys.argv[1] else: fileName = os.path.join(PYMCA_DATA_DIR, "EXAFS_Ge.dat") if len(sys.argv) > 2: cfg = sys.argv[2] else: cfg = None scan = specfile.Specfile(fileName)[0] data = scan.data() if data.shape[0] == 2: energy = data[0, :] mu = data[1, :] else: energy = None mu = None labels = scan.alllabels() i = 0 for label in labels: if label.lower() == "energy": energy = data[i, :] elif label.lower() in ["counts", "mu", "absorption"]: mu = data[i, :] i = i + 1 if (energy is None) or (mu is None): if len(labels) == 3: if labels[0].lower() == "point": energy = data[1, :] mu = data[2, :] else: energy = data[0, :] mu = data[1, :] else: energy = data[0, :] mu = data[1, :] exafs = XASClass() if cfg is not None: from PyMca5.PyMca import ConfigDict config = ConfigDict.ConfigDict() config.read(cfg) exafs.setConfiguration(config['XASParameters']) exafs.setSpectrum(energy, mu) if 0: print("exafs.calculateE0 = ", exafs.calculateE0()) ddict = exafs.normalize() print("Jump = ", ddict["Jump"]) else: t0 = time.time() ddict = exafs.processSpectrum() print("Elapsed = ", time.time() - t0) #sys.exit() from PyMca5.PyMca import PyMcaQt as qt app = qt.QApplication([]) from PyMca5.PyMca import PlotWindow w = PlotWindow.PlotWindow() w.addCurve(energy, mu, legend="original", replot=False) w.addCurve(ddict["NormalizedEnergy"], ddict["NormalizedMu"], legend="Mu", yaxis="right", replot=False) w.addCurve(ddict["NormalizedEnergy"], ddict["NormalizedSignal"], legend="Post", replot=False) w.addCurve(ddict["NormalizedEnergy"], ddict["NormalizedBackground"], legend="Pre",replot=False) w.resetZoom() w.show() exafs = PlotWindow.PlotWindow() idx = (ddict["EXAFSKValues"] >= ddict["KMin"]) & \ (ddict["EXAFSKValues"] <= ddict["KMax"]) exafs.addCurve(ddict["EXAFSKValues"][idx], ddict["EXAFSNormalized"][idx], legend="Normalized EXAFS") exafs.show() #""" ft = PlotWindow.PlotWindow() ft.addCurve(ddict["FT"]["FTRadius"], ddict["FT"]["FTIntensity"]) ft.resetZoom() ft.show() #""" app.exec_() PyMca5-5.2.2/PyMca5/PyMcaPhysics/xas/XASNormalization.py0000644000276300001750000004510613136054446022760 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2014 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Software Group" __doc__ = """This set of routines performs normalization of X-ray absorption spectra for qualitative/preliminary analysis. For state-of-the-art XAS you should take a look at dedicated and well-tested packages like IFEFFIT or Viper/XANES dactyloscope """ __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import numpy from PyMca5.PyMcaMath.fitting import SpecfitFuns from PyMca5.PyMcaMath import SGModule from PyMca5.PyMcaMath.fitting.Gefit import LeastSquaresFit DEBUG = 0 if DEBUG: from pylab import * def e2k(energy, e0=0.0, units="eV"): r""" e2k(energy, e0=0.0): converts from E (eV) to k (A^-1) note: we use the convention that points with E 0) * 2-1) * numpy.sqrt(numpy.abs(tmpx)) * ccte return tmpxx def k2e(kValues): r""" k2e(x): converts from k (A^-1) to E (eV) The negative energies (below edge) are treated as negative k """ codata_ec = numpy.array(1.602176565e-19) codata_me = numpy.array(9.10938291e-31) codata_h = numpy.array(6.62606957e-34) codata_hbar = codata_h/2.0/numpy.pi #; converts a set in k to energy #; the negative energies (below edge) are treated as negative k ccte = numpy.power(codata_hbar,2) / 2 / codata_me / codata_ec * 1e20 tmpx = kValues tmpx = ((tmpx > 0) * 2-1) * tmpx * tmpx * ccte return tmpx def polynom(parameter_list, x): if hasattr(x, 'shape'): output = numpy.zeros(x.shape) else: output = 0.0 for i in range(len(parameter_list)): output += parameter_list[i] * pow(x, i) return output def polynomDerivative(parameter_list, parameter_index, x): return pow(x, parameter_index) def victoreen(parameter_list, x): return parameter_list[0] * pow(x, -3) + parameter_list[1] * pow(x, -4) def victoreenDerivative(parameter_list, parameter_index, x): if parameter_index == 0: return pow(x, -3) else: return pow(x, -4) def modifiedVictoreen(parameter_list, x): return parameter_list[0] * pow(x, -3) + parameter_list[1] def modifiedVictoreenDerivative(parameter_list, parameter_index, x): if parameter_index == 0: return pow(x, -3) else: return numpy.ones(x.shape, dtype=numpy.float) def getE0SavitzkyGolay(energy, mu, points=5, full=False): # It does not check anything, data have to be prepared before!!! # take the first derivative yPrime = SGModule.getSavitzkyGolay(mu, npoints=points, degree=2, order=1) xPrime = energy[:] # get the index at maximum value iMax = numpy.argmax(yPrime) # get the center of mass w = points selection = yPrime[iMax-w:iMax+w+1] edge = (selection * xPrime[iMax-w:iMax+w+1]).sum(dtype=numpy.float)/\ selection.sum(dtype=numpy.float) if full: # return intermediate information return {"edge":edge, "iMax": iMax, "xPrime": xPrime, "yPrime": yPrime} else: # return the corresponding x value return edge def estimateXANESEdge(spectrum, energy=None, npoints=5, full=False, sanitize=True): if sanitize: if energy is None: x = numpy.arange(len(spectrum)).astype(numpy.float) else: x = numpy.array(energy, dtype=numpy.float, copy=False) y = numpy.array(spectrum, dtype=numpy.float, copy=False) # make sure data are sorted idx = energy.argsort(kind='mergesort') x = numpy.take(energy, idx) y = numpy.take(spectrum, idx) # make sure data are strictly increasing delta = x[1:] - x[:-1] dmin = delta.min() dmax = delta.max() if delta.min() <= 1.0e-10: # force data are strictly increasing # although we do not consider last point idx = numpy.nonzero(delta>0)[0] x = numpy.take(x, idx) y = numpy.take(y, idx) delta = None # use a regularly spaced spectrum if dmax != dmin: # choose the number of points or deduce it from # the input data length? nchannels = 10 * x.size xi = numpy.linspace(x[1], x[-2], nchannels).reshape(-1, 1) x.shape = -1 y.shape = -1 y = SpecfitFuns.interpol([x], y, xi, y.min()) x = xi else: # take views x = energy[:] y = spectrum[:] x.shape = -1 y.shape = -1 # Sorted and regularly spaced values sortedX = x sortedY = y ddict = getE0SavitzkyGolay(sortedX, sortedY, points=npoints, full=full) if full: # return intermediate information return ddict["edge"], sortedX, sortedY, ddict["xPrime"], ddict["yPrime"] else: # return the corresponding x value return ddict def getRegionsData(x0, y0, regions, edge=0.0): """ x - 1D array y - 1D array of the same dimension as x regions - List of (xmin, xmax) values defining the regions. edge - Supplied edge energy The default is 0. That means regions are absolute energies. The actual regions are defined as (xmin + edge, xmax + edge) """ # take a view of the data x = x0[:] y = y0[:] x.shape = -1 y.shape = -1 i = 0 for region in regions: xmin = region[0] + edge xmax = region[1] + edge toidx = numpy.nonzero((x >= xmin) & (x <= xmax))[0] if i == 0: i = 1 idx = toidx else: idx = numpy.concatenate((idx, toidx), axis=0) xOut = numpy.take(x, idx) yOut = numpy.take(y, idx) if len(x0.shape) == 1: xOut.shape = -1 yOut.shape = -1 elif x0.shape[0] == 1: xOut.shape = 1, -1 yOut.shape = 1, -1 else: xOut.shape = -1, 1 yOut.shape = -1, 1 return xOut, yOut def XASNormalization(spectrum, energy=None, edge=None, pre_edge_regions=None, post_edge_regions=None, algorithm='polynomial', algorithm_parameters=None): if algorithm not in SUPPORTED_ALGORITHMS: raise ValueError("Unsupported algorithm %s" % algorithm) if energy is None: energy = numpy.arange(len(spectrum)) if edge in [None, 'Auto']: edge = estimateXANESEdge(spectrum, energy=energy) if pre_edge_regions is None: # divide pre-edge zone in 4 regions and take the 3rd? if edge < 200: # data assumed to be in keV pre_edge_regions = [[-0.4, -0.05]] else: # data assumend to be in eV pre_edge_regions = [[-400., -50.]] if post_edge_regions is None: #divide post-edge by 20 and leave out the first one? if edge < 200: # data assumed to be in keV post_edge_regions = [[0.020, energy.max()-edge]] else: # data assumend to be in eV post_edge_regions = [[20., energy.max()-edge]] return SUPPORTED_ALGORITHMS[algorithm](spectrum, energy, edge, pre_edge_regions, post_edge_regions, parameters=algorithm_parameters) def XASPolynomialNormalization(spectrum, energy, edge=None, pre_edge_regions=None, post_edge_regions=None, parameters=None): if edge in [None, 'Auto']: edge = estimateXANESEdge(spectrum, energy=energy) if parameters is None: parameters = {} pre_edge_order = parameters.get('pre_edge_order', 1) post_edge_order = parameters.get('post_edge_order', 3) xPre, yPre = getRegionsData(energy, spectrum, pre_edge_regions, edge=edge) xPost, yPost = getRegionsData(energy, spectrum, post_edge_regions, edge=edge) # get the proper pre-edge function to be used pre_edge_function = polynom if pre_edge_order in [0, 'Constant']: pre_edge_order = 0 elif pre_edge_order in [1, 'Linear']: pre_edge_order = 1 elif pre_edge_order in [2, 'Parabolic']: pre_edge_order = 2 elif pre_edge_order in [3, 'Cubic']: pre_edge_order = 3 elif pre_edge_order in [-1, 'Victoreen']: pre_edge_order = -1 pre_edge_function = victoreen elif pre_edge_order in [-2, 'Modif. Victoreen']: pre_edge_order = -2 pre_edge_function = modifiedVictoreen else: # case of arriving with a 4th order polynom, for instance pass # calculate pre-edge if pre_edge_order == 0: prePol = [yPre.mean()] elif pre_edge_order > 0: p = numpy.arange(pre_edge_order + 1).astype(numpy.float) prePol = LeastSquaresFit(pre_edge_function, p, xdata=xPre, ydata=yPre, model_deriv=polynomDerivative, weightflag=0, linear=1)[0] elif pre_edge_order == -1: p = numpy.array([1.0, 1.0]) prePol = LeastSquaresFit(pre_edge_function, p, xdata=xPre, ydata=yPre, model_deriv=victoreenDerivative, weightflag=0, linear=1)[0] elif pre_edge_order == -2: p = numpy.array([1.0, 1.0]) prePol = LeastSquaresFit(pre_edge_function, p, xdata=xPre, ydata=yPre, model_deriv=modifiedVictoreenDerivative, weightflag=0, linear=1)[0] # get the proper post-edge function to be used post_edge_function = polynom if post_edge_order in [0, 'Constant']: post_edge_order = 0 elif post_edge_order in [1, 'Linear']: post_edge_order = 1 elif post_edge_order in [2, 'Parabolic']: post_edge_order = 2 elif post_edge_order in [3, 'Cubic']: post_edge_order = 3 elif post_edge_order in [-1, 'Victoreen']: post_edge_order = -1 post_edge_function = victoreen elif post_edge_order in [-2, 'Modif. Victoreen']: post_edge_order = -2 post_edge_function = modifiedVictoreen else: # case of arriving with a 4th order polynom, for instance pass # calculate post-edge baseLine = pre_edge_function(prePol, xPost) if post_edge_order == 0: # just take the average postPol = [(yPost-baseLine).mean()] normalizedSpectrum = (spectrum - pre_edge_function(prePol, energy))/postPol[0] elif post_edge_order > 0: p = numpy.arange(post_edge_order + 1).astype(numpy.float) postPol = LeastSquaresFit(post_edge_function, p, xdata=xPost, ydata=yPost-baseLine, model_deriv=polynomDerivative, weightflag=0, linear=1)[0] normalizedSpectrum = (spectrum - pre_edge_function(prePol, energy))\ /post_edge_function(postPol, energy) elif post_edge_order == -1: p = numpy.array([1.0, 1.0]) postPol = LeastSquaresFit(post_edge_function, p, xdata=xPost, ydata=yPost-baseLine, model_deriv=victoreenDerivative, weightflag=0, linear=1)[0] normalizedSpectrum = (spectrum - pre_edge_function(prePol, energy))\ /post_edge_function(postPol, energy) elif post_edge_order == -2: p = numpy.array([1.0, 1.0]) postPol = LeastSquaresFit(post_edge_function, p, xdata=xPost, ydata=yPost-baseLine, model_deriv=modifiedVictoreenDerivative, weightflag=0, linear=1)[0] normalizedSpectrum = (spectrum - pre_edge_function(prePol, energy))\ /post_edge_function(postPol, energy) jump = post_edge_function(postPol, edge) if DEBUG: plot(energy, spectrum, 'o') plot(xPre, pre_edge_function(prePol, xPre), 'r') plot(xPost, post_edge_function(postPol, xPost)+pre_edge_function(prePol, xPost), 'y') show() return energy, normalizedSpectrum, edge, jump, pre_edge_function, prePol, post_edge_function, postPol def XASVictoreenNormalization(spectrum, energy, edge=None, pre_edge_regions=None, post_edge_regions=None, parameters=None): if edge in [None, 'Auto']: edge = estimateXANESEdge(spectrum, energy=energy) if parameters is None: parameters = {} xPre, yPre = getRegionsData(energy, spectrum, pre_edge_regions) xPost, yPost = getRegionsData(energy, spectrum, post_edge_regions) pre_edge_order = parameters.get('pre_edge_order', 1) post_edge_order = parameters.get('post_edge_order', 1) if pre_edge_order in [1, -1, 'Victoreen']: pre_edge_function = victoreen else: pre_edge_function = modifiedVictoreen if post_edge_order in [1, -1, 'Victoreen']: post_edge_function = victoreen else: post_edge_function = modifiedVictoreen p = numpy.array([1.0, 1.0]) prePol = LeastSquaresFit(pre_edge_function, p, xdata=xPre, ydata=yPre, weightflag=0, linear=1)[0] postPol = LeastSquaresFit(post_edge_function, p, xdata=xPost, ydata=yPost-pre_edge_function(prePol, xPost), weightflag=0, linear=1)[0] normalizedSpectrum = (spectrum - pre_edge_function(prePol, energy))\ /post_edge_function(postPol, energy) if DEBUG: print("VICTOREEN") plot(energy, spectrum, 'o') plot(xPre, pre_edge_function(prePol, xPre), 'r') plot(xPost, post_edge_function(postPol, xPost)+pre_edge_function(prePol, xPost), 'y') show() return energy, normalizedSpectrum, edge SUPPORTED_ALGORITHMS = {"polynomial":XASPolynomialNormalization, "victoreen": XASVictoreenNormalization} if __name__ == "__main__": import sys from PyMca.PyMcaIO import specfilewrapper as specfile import time sf = specfile.Specfile(sys.argv[1]) scan = sf[0] data = scan.data() energy = data[0, :] spectrum = data[1, :] n = 100 t0 = time.time() for i in range(n): edge = estimateXANESEdge(spectrum+i, energy=energy) print("EDGE ELAPSED = ", (time.time() - t0)/float(n)) print("EDGE = %f" % edge) if DEBUG: n = 1 else: n = 100 t0 = time.time() for i in range(n): nEne0, nSpe0 = XASNormalization(spectrum+i, energy, edge=edge, algorithm='polynomial', algorithm_parameters={'pre_edge_order':0, 'post_edge_order':0})[0:2] print("ELAPSED 0 = ", (time.time() - t0)/float(n)) t0 = time.time() for i in range(n): nEneP, nSpeP = XASNormalization(spectrum+i, energy, edge=edge, algorithm='polynomial', algorithm_parameters={'pre_edge_order':1, 'post_edge_order':2})[0:2] print("ELAPSED Poly = ", (time.time() - t0)/float(n)) t0 = time.time() for i in range(n): nEneV, nSpeV = XASNormalization(spectrum+i, energy, edge=edge, algorithm='polynomial', algorithm_parameters={'pre_edge_order':'Victoreen', 'post_edge_order':'Victoreen'})[0:2] print("ELAPSED Victoreen = ", (time.time() - t0)/float(n)) if DEBUG: #plot(energy, spectrum, 'b') plot(nEne0, nSpe0, 'k', label='Polynomial') plot(nEneP, nSpeP, 'b', label='Polynomial') plot(nEneV, nSpeV, 'r', label='Victoreen') show() PyMca5-5.2.2/PyMca5/PyMcaPhysics/xas/_xas/0000755000276300001750000000000013205526235020125 5ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/PyMcaPhysics/xas/_xas/setup.py0000644000276300001750000000536213136054446021650 0ustar solebliss00000000000000#!/usr/bin/env python #/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import glob import os import sys import numpy from distutils.core import setup, Extension try: html = False if html: import Cython.Compiler.Options Cython.Compiler.Options.annotate = True from Cython.Distutils import build_ext except: build_ext = None c_files = [os.path.join('src', 'polspl.c'), os.path.join('src', 'bessel0.c')] if build_ext: src = [os.path.join('cython', '_xas.pyx')] else: src = glob.glob(os.path.join('cython', '*.c')) src += c_files if sys.platform == 'win32': extra_compile_args = [] extra_link_args = [] else: # OpenMP and auto-vectorization flags for Colormap and MinMax # extra_compile_args = ['-fopenmp', '-ftree-vectorize'] # extra_link_args = ['-fopenmp'] extra_compile_args = [] extra_link_args = [] setup( name='_xas', ext_modules=[Extension( name="_xas", sources=src, include_dirs=[numpy.get_include(), os.path.join(os.getcwd(), "include")], extra_compile_args=extra_compile_args, extra_link_args=extra_link_args, language="c", )], cmdclass={'build_ext': build_ext}, ) PyMca5-5.2.2/PyMca5/PyMcaPhysics/xas/_xas/cython/0000755000276300001750000000000013205526235021431 5ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/PyMcaPhysics/xas/_xas/cython/polspl.pxd0000644000276300001750000000305213136054446023462 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ cimport cython cdef extern from "polspl.h": void polspl(double *, double *, double *, int, double *, double *, int *, int, double *, int) PyMca5-5.2.2/PyMca5/PyMcaPhysics/xas/_xas/cython/bessel0.pxd0000644000276300001750000000301013136054446023500 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ cimport cython cdef extern from "bessel0.h": double j0Single(double) void j0Multiple(double *, int) PyMca5-5.2.2/PyMca5/PyMcaPhysics/xas/_xas/cython/_xas.pyx0000644000276300001750000001477013136054446023141 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ cimport cython import numpy cimport numpy from polspl cimport polspl as _polspl from bessel0 cimport j0Single, j0Multiple def j0(x): if hasattr(x, "__len__"): return _besselMultiple(x) else: return _besselSingle(x) def _besselMultiple(x): result = numpy.array(x, copy=True, dtype=numpy.float64) cdef double[:] c_x = result cdef int c_npts = c_x.size j0Multiple(&c_x[0], c_npts) return result def _besselSingle(double x): return j0Single(x) def polspl(x, y, w, npts, xl, xh, nr, nc): c = numpy.zeros((36,), dtype=numpy.float64) cdef double[:] c_c = c cdef double[:] c_x = numpy.ascontiguousarray(x, dtype=numpy.float64) cdef double[:] c_y = numpy.ascontiguousarray(y, dtype=numpy.float64) cdef double[:] c_w = numpy.ascontiguousarray(w, dtype=numpy.float64) cdef int c_npts = npts cdef double[:] c_xl = numpy.ascontiguousarray(xl, dtype=numpy.float64) cdef double[:] c_xh = numpy.ascontiguousarray(xh, dtype=numpy.float64) cdef int c_nr = nr cdef int[:] c_nc = numpy.ascontiguousarray(nc, dtype=numpy.int32) cdef int c_sizeC = c_c.size _polspl(&c_x[0], &c_y[0], &c_w[0], c_npts, \ &c_xl[0], &c_xh[0], &c_nc[0], c_nr, &c_c[0], c_sizeC) return c def polspl2(x,y,w,npts,xl0,xh0,nr,nc): # ; # ; few definitions # ; cdef numpy.ndarray[double, ndim=1, mode='c'] buffer_xl0 = \ numpy.ascontiguousarray(xl0, numpy.float64) cdef double * xl = buffer_xl0.data cdef numpy.ndarray[double, ndim=1, mode='c'] buffer_xh0 = \ numpy.ascontiguousarray(xh0, numpy.float64) cdef double * xh = buffer_xh0.data df = numpy.zeros(26) a = numpy.zeros((36,37)) nbs = numpy.zeros(11,dtype=int) cdef double[:] xk0 = numpy.zeros(10) cdef double * xk = &xk0[0] c = numpy.zeros(36) cdef int j=0 cdef int i=0 ne_idl=0 n = 0 cdef int k = 0 cdef int ibl = 0 cdef int ns = 0 cdef int ns1 = 0 nbs[1]=1 for i in range(1,nr+1): n=n+int(nc[i]) nbs[i+1]=n+1 if xl[i] < xh[i]: pass else: t=xl[i] xl[i]=xh[i] xh[i]=t n=n+2*(nr-1) n1=n+1 xl[nr+1]=0. xh[nr+1]=0. # this loop ... for ibl in range(1,nr+1): xk[ibl]=.5*(xh[ibl]+xl[ibl+1]) if (xl[ibl] > xl[ibl+1]): xk[ibl]=.5*(xl[ibl]+xh[ibl+1]) ns=nbs[ibl] ne_idl=nbs[ibl+1]-1 for i in range(1, npts+1): if((x[i] < xl[ibl]) or (x[i] > xh[ibl])): pass else: df[ns]=1.0 ns1=ns+1 for j in range(ns1,ne_idl+1): df[j]=df[j-1]*x[i] for j in range(ns,ne_idl+1): for k in range(j,ne_idl+1): a[j,k]=a[j,k]+df[j]*df[k]*w[i] a[j,n1]=a[j,n1]+df[j]*y[i]*w[i] # ... has to be faster ncol=nbs[nr+1]-1 nk=nr-1 if (nk == 0): pass else: for ik in range(1,nk+1): ncol=ncol+1 ns=nbs[ik] ne_idl=nbs[ik+1]-1 a[ns,ncol]=-1. ns=ns+1 for i in range(ns,ne_idl+1): a[i,ncol]=a[i-1,ncol]*xk[ik] ncol=ncol+1 a[ns,ncol]=-1. ns=ns+1 if (ns > ne_idl): pass else: for i in range(ns,ne_idl+1): a[i,ncol]=(ns-i-2)*numpy.power(xk[ik],(i-ns+1)) ncol=ncol-1 ns=nbs[ik+1] ne_idl=nbs[ik+2]-1 a[ns,ncol]=1.0 ns=ns+1 for i in range(ns,ne_idl+1): a[i,ncol]=a[i-1,ncol]*xk[ik] ncol=ncol+1 a[ns,ncol]=1.0 ns=ns+1 if (ns > ne_idl): pass else: for i in range(ns,ne_idl+1): a[i,ncol]=(i-ns+2)*numpy.power(xk[ik],(i-ns+1)) for i in range(1,n+1): i1=i-1 for j in range(1,i1+1): a[i,j]=a[j,i] nm1=n-1 for i in range(1,nm1+1): i1=i+1 m=i t=numpy.abs(a[i,i]) for j in range(i1,n+1): if (t >= numpy.abs(a[j,i])): pass else: m=j t=numpy.abs(a[j,i]) if (m == i): pass else: for j in range(1,n1+1): t=a[i,j] a[i,j]=a[m,j] a[m,j]=t for j in range(i1,n+1): t=a[j,i]/a[i,i] for k in range(i1,n1+1): a[j,k]=a[j,k]-t*a[i,k] c[n]=a[n,n1]/a[n,n] for i in range(1,nm1+1): ni=n-i t=a[ni,n1] ni1=ni+1 for j in range(ni1,n+1): t=t-c[j]*a[ni,j] c[ni]=t/a[ni,ni] return c PyMca5-5.2.2/PyMca5/PyMcaPhysics/xas/_xas/cython/_xas.c0000644000276300001750000335526513136054446022555 0ustar solebliss00000000000000/* Generated by Cython 0.19.1 on Thu Nov 05 18:57:52 2015 */ #define PY_SSIZE_T_CLEAN #ifndef CYTHON_USE_PYLONG_INTERNALS #ifdef PYLONG_BITS_IN_DIGIT #define CYTHON_USE_PYLONG_INTERNALS 0 #else #include "pyconfig.h" #ifdef PYLONG_BITS_IN_DIGIT #define CYTHON_USE_PYLONG_INTERNALS 1 #else #define CYTHON_USE_PYLONG_INTERNALS 0 #endif #endif #endif #include "Python.h" #ifndef Py_PYTHON_H #error Python headers needed to compile C extensions, please install development version of Python. #elif PY_VERSION_HEX < 0x02040000 #error Cython requires Python 2.4+. #else #include /* For offsetof */ #ifndef offsetof #define offsetof(type, member) ( (size_t) & ((type*)0) -> member ) #endif #if !defined(WIN32) && !defined(MS_WINDOWS) #ifndef __stdcall #define __stdcall #endif #ifndef __cdecl #define __cdecl #endif #ifndef __fastcall #define __fastcall #endif #endif #ifndef DL_IMPORT #define DL_IMPORT(t) t #endif #ifndef DL_EXPORT #define DL_EXPORT(t) t #endif #ifndef PY_LONG_LONG #define PY_LONG_LONG LONG_LONG #endif #ifndef Py_HUGE_VAL #define Py_HUGE_VAL HUGE_VAL #endif #ifdef PYPY_VERSION #define CYTHON_COMPILING_IN_PYPY 1 #define CYTHON_COMPILING_IN_CPYTHON 0 #else #define CYTHON_COMPILING_IN_PYPY 0 #define CYTHON_COMPILING_IN_CPYTHON 1 #endif #if PY_VERSION_HEX < 0x02050000 typedef int Py_ssize_t; #define PY_SSIZE_T_MAX INT_MAX #define PY_SSIZE_T_MIN INT_MIN #define PY_FORMAT_SIZE_T "" #define CYTHON_FORMAT_SSIZE_T "" #define PyInt_FromSsize_t(z) PyInt_FromLong(z) #define PyInt_AsSsize_t(o) __Pyx_PyInt_AsInt(o) #define PyNumber_Index(o) ((PyNumber_Check(o) && !PyFloat_Check(o)) ? PyNumber_Int(o) : \ (PyErr_Format(PyExc_TypeError, \ "expected index value, got %.200s", Py_TYPE(o)->tp_name), \ (PyObject*)0)) #define __Pyx_PyIndex_Check(o) (PyNumber_Check(o) && !PyFloat_Check(o) && \ !PyComplex_Check(o)) #define PyIndex_Check __Pyx_PyIndex_Check #define PyErr_WarnEx(category, message, stacklevel) PyErr_Warn(category, message) #define __PYX_BUILD_PY_SSIZE_T "i" #else #define __PYX_BUILD_PY_SSIZE_T "n" #define CYTHON_FORMAT_SSIZE_T "z" #define __Pyx_PyIndex_Check PyIndex_Check #endif #if PY_VERSION_HEX < 0x02060000 #define Py_REFCNT(ob) (((PyObject*)(ob))->ob_refcnt) #define Py_TYPE(ob) (((PyObject*)(ob))->ob_type) #define Py_SIZE(ob) (((PyVarObject*)(ob))->ob_size) #define PyVarObject_HEAD_INIT(type, size) \ PyObject_HEAD_INIT(type) size, #define PyType_Modified(t) typedef struct { void *buf; PyObject *obj; Py_ssize_t len; Py_ssize_t itemsize; int readonly; int ndim; char *format; Py_ssize_t *shape; Py_ssize_t *strides; Py_ssize_t *suboffsets; void *internal; } Py_buffer; #define PyBUF_SIMPLE 0 #define PyBUF_WRITABLE 0x0001 #define PyBUF_FORMAT 0x0004 #define PyBUF_ND 0x0008 #define PyBUF_STRIDES (0x0010 | PyBUF_ND) #define PyBUF_C_CONTIGUOUS (0x0020 | PyBUF_STRIDES) #define PyBUF_F_CONTIGUOUS (0x0040 | PyBUF_STRIDES) #define PyBUF_ANY_CONTIGUOUS (0x0080 | PyBUF_STRIDES) #define PyBUF_INDIRECT (0x0100 | PyBUF_STRIDES) #define PyBUF_RECORDS (PyBUF_STRIDES | PyBUF_FORMAT | PyBUF_WRITABLE) #define PyBUF_FULL (PyBUF_INDIRECT | PyBUF_FORMAT | PyBUF_WRITABLE) typedef int (*getbufferproc)(PyObject *, Py_buffer *, int); typedef void (*releasebufferproc)(PyObject *, Py_buffer *); #endif #if PY_MAJOR_VERSION < 3 #define __Pyx_BUILTIN_MODULE_NAME "__builtin__" #define __Pyx_PyCode_New(a, k, l, s, f, code, c, n, v, fv, cell, fn, name, fline, lnos) \ PyCode_New(a, l, s, f, code, c, n, v, fv, cell, fn, name, fline, lnos) #else #define __Pyx_BUILTIN_MODULE_NAME "builtins" #define __Pyx_PyCode_New(a, k, l, s, f, code, c, n, v, fv, cell, fn, name, fline, lnos) \ PyCode_New(a, k, l, s, f, code, c, n, v, fv, cell, fn, name, fline, lnos) #endif #if PY_MAJOR_VERSION < 3 && PY_MINOR_VERSION < 6 #define PyUnicode_FromString(s) PyUnicode_Decode(s, strlen(s), "UTF-8", "strict") #endif #if PY_MAJOR_VERSION >= 3 #define Py_TPFLAGS_CHECKTYPES 0 #define Py_TPFLAGS_HAVE_INDEX 0 #endif #if (PY_VERSION_HEX < 0x02060000) || (PY_MAJOR_VERSION >= 3) #define Py_TPFLAGS_HAVE_NEWBUFFER 0 #endif #if PY_VERSION_HEX < 0x02060000 #define Py_TPFLAGS_HAVE_VERSION_TAG 0 #endif #if PY_VERSION_HEX > 0x03030000 && defined(PyUnicode_KIND) #define CYTHON_PEP393_ENABLED 1 #define __Pyx_PyUnicode_READY(op) (likely(PyUnicode_IS_READY(op)) ? \ 0 : _PyUnicode_Ready((PyObject *)(op))) #define __Pyx_PyUnicode_GET_LENGTH(u) PyUnicode_GET_LENGTH(u) #define __Pyx_PyUnicode_READ_CHAR(u, i) PyUnicode_READ_CHAR(u, i) #define __Pyx_PyUnicode_READ(k, d, i) PyUnicode_READ(k, d, i) #else #define CYTHON_PEP393_ENABLED 0 #define __Pyx_PyUnicode_READY(op) (0) #define __Pyx_PyUnicode_GET_LENGTH(u) PyUnicode_GET_SIZE(u) #define __Pyx_PyUnicode_READ_CHAR(u, i) ((Py_UCS4)(PyUnicode_AS_UNICODE(u)[i])) #define __Pyx_PyUnicode_READ(k, d, i) ((k=k), (Py_UCS4)(((Py_UNICODE*)d)[i])) #endif #if PY_MAJOR_VERSION >= 3 #define PyBaseString_Type PyUnicode_Type #define PyStringObject PyUnicodeObject #define PyString_Type PyUnicode_Type #define PyString_Check PyUnicode_Check #define PyString_CheckExact PyUnicode_CheckExact #endif #if PY_VERSION_HEX < 0x02060000 #define PyBytesObject PyStringObject #define PyBytes_Type PyString_Type #define PyBytes_Check PyString_Check #define PyBytes_CheckExact PyString_CheckExact #define PyBytes_FromString PyString_FromString #define PyBytes_FromStringAndSize PyString_FromStringAndSize #define PyBytes_FromFormat PyString_FromFormat #define PyBytes_DecodeEscape PyString_DecodeEscape #define PyBytes_AsString PyString_AsString #define PyBytes_AsStringAndSize PyString_AsStringAndSize #define PyBytes_Size PyString_Size #define PyBytes_AS_STRING PyString_AS_STRING #define PyBytes_GET_SIZE PyString_GET_SIZE #define PyBytes_Repr PyString_Repr #define PyBytes_Concat PyString_Concat #define PyBytes_ConcatAndDel PyString_ConcatAndDel #endif #if PY_MAJOR_VERSION >= 3 #define __Pyx_PyBaseString_Check(obj) PyUnicode_Check(obj) #define __Pyx_PyBaseString_CheckExact(obj) PyUnicode_CheckExact(obj) #else #define __Pyx_PyBaseString_Check(obj) (PyString_CheckExact(obj) || PyUnicode_CheckExact(obj) || \ PyString_Check(obj) || PyUnicode_Check(obj)) #define __Pyx_PyBaseString_CheckExact(obj) (Py_TYPE(obj) == &PyBaseString_Type) #endif #if PY_VERSION_HEX < 0x02060000 #define PySet_Check(obj) PyObject_TypeCheck(obj, &PySet_Type) #define PyFrozenSet_Check(obj) PyObject_TypeCheck(obj, &PyFrozenSet_Type) #endif #ifndef PySet_CheckExact #define PySet_CheckExact(obj) (Py_TYPE(obj) == &PySet_Type) #endif #define __Pyx_TypeCheck(obj, type) PyObject_TypeCheck(obj, (PyTypeObject *)type) #if PY_MAJOR_VERSION >= 3 #define PyIntObject PyLongObject #define PyInt_Type PyLong_Type #define PyInt_Check(op) PyLong_Check(op) #define PyInt_CheckExact(op) PyLong_CheckExact(op) #define PyInt_FromString PyLong_FromString #define PyInt_FromUnicode PyLong_FromUnicode #define PyInt_FromLong PyLong_FromLong #define PyInt_FromSize_t PyLong_FromSize_t #define PyInt_FromSsize_t PyLong_FromSsize_t #define PyInt_AsLong PyLong_AsLong #define PyInt_AS_LONG PyLong_AS_LONG #define PyInt_AsSsize_t PyLong_AsSsize_t #define PyInt_AsUnsignedLongMask PyLong_AsUnsignedLongMask #define PyInt_AsUnsignedLongLongMask PyLong_AsUnsignedLongLongMask #endif #if PY_MAJOR_VERSION >= 3 #define PyBoolObject PyLongObject #endif #if PY_VERSION_HEX < 0x03020000 typedef long Py_hash_t; #define __Pyx_PyInt_FromHash_t PyInt_FromLong #define __Pyx_PyInt_AsHash_t PyInt_AsLong #else #define __Pyx_PyInt_FromHash_t PyInt_FromSsize_t #define __Pyx_PyInt_AsHash_t PyInt_AsSsize_t #endif #if (PY_MAJOR_VERSION < 3) || (PY_VERSION_HEX >= 0x03010300) #define __Pyx_PySequence_GetSlice(obj, a, b) PySequence_GetSlice(obj, a, b) #define __Pyx_PySequence_SetSlice(obj, a, b, value) PySequence_SetSlice(obj, a, b, value) #define __Pyx_PySequence_DelSlice(obj, a, b) PySequence_DelSlice(obj, a, b) #else #define __Pyx_PySequence_GetSlice(obj, a, b) (unlikely(!(obj)) ? \ (PyErr_SetString(PyExc_SystemError, "null argument to internal routine"), (PyObject*)0) : \ (likely((obj)->ob_type->tp_as_mapping) ? (PySequence_GetSlice(obj, a, b)) : \ (PyErr_Format(PyExc_TypeError, "'%.200s' object is unsliceable", (obj)->ob_type->tp_name), (PyObject*)0))) #define __Pyx_PySequence_SetSlice(obj, a, b, value) (unlikely(!(obj)) ? \ (PyErr_SetString(PyExc_SystemError, "null argument to internal routine"), -1) : \ (likely((obj)->ob_type->tp_as_mapping) ? (PySequence_SetSlice(obj, a, b, value)) : \ (PyErr_Format(PyExc_TypeError, "'%.200s' object doesn't support slice assignment", (obj)->ob_type->tp_name), -1))) #define __Pyx_PySequence_DelSlice(obj, a, b) (unlikely(!(obj)) ? \ (PyErr_SetString(PyExc_SystemError, "null argument to internal routine"), -1) : \ (likely((obj)->ob_type->tp_as_mapping) ? (PySequence_DelSlice(obj, a, b)) : \ (PyErr_Format(PyExc_TypeError, "'%.200s' object doesn't support slice deletion", (obj)->ob_type->tp_name), -1))) #endif #if PY_MAJOR_VERSION >= 3 #define PyMethod_New(func, self, klass) ((self) ? PyMethod_New(func, self) : PyInstanceMethod_New(func)) #endif #if PY_VERSION_HEX < 0x02050000 #define __Pyx_GetAttrString(o,n) PyObject_GetAttrString((o),((char *)(n))) #define __Pyx_SetAttrString(o,n,a) PyObject_SetAttrString((o),((char *)(n)),(a)) #define __Pyx_DelAttrString(o,n) PyObject_DelAttrString((o),((char *)(n))) #else #define __Pyx_GetAttrString(o,n) PyObject_GetAttrString((o),(n)) #define __Pyx_SetAttrString(o,n,a) PyObject_SetAttrString((o),(n),(a)) #define __Pyx_DelAttrString(o,n) PyObject_DelAttrString((o),(n)) #endif #if PY_VERSION_HEX < 0x02050000 #define __Pyx_NAMESTR(n) ((char *)(n)) #define __Pyx_DOCSTR(n) ((char *)(n)) #else #define __Pyx_NAMESTR(n) (n) #define __Pyx_DOCSTR(n) (n) #endif #ifndef CYTHON_INLINE #if defined(__GNUC__) #define CYTHON_INLINE __inline__ #elif defined(_MSC_VER) #define CYTHON_INLINE __inline #elif defined (__STDC_VERSION__) && __STDC_VERSION__ >= 199901L #define CYTHON_INLINE inline #else #define CYTHON_INLINE #endif #endif #ifndef CYTHON_RESTRICT #if defined(__GNUC__) #define CYTHON_RESTRICT __restrict__ #elif defined(_MSC_VER) #define CYTHON_RESTRICT __restrict #elif defined (__STDC_VERSION__) && __STDC_VERSION__ >= 199901L #define CYTHON_RESTRICT restrict #else #define CYTHON_RESTRICT #endif #endif #ifdef NAN #define __PYX_NAN() ((float) NAN) #else static CYTHON_INLINE float __PYX_NAN() { /* Initialize NaN. The sign is irrelevant, an exponent with all bits 1 and a nonzero mantissa means NaN. If the first bit in the mantissa is 1, it is a quiet NaN. */ float value; memset(&value, 0xFF, sizeof(value)); return value; } #endif #if PY_MAJOR_VERSION >= 3 #define __Pyx_PyNumber_Divide(x,y) PyNumber_TrueDivide(x,y) #define __Pyx_PyNumber_InPlaceDivide(x,y) PyNumber_InPlaceTrueDivide(x,y) #else #define __Pyx_PyNumber_Divide(x,y) PyNumber_Divide(x,y) #define __Pyx_PyNumber_InPlaceDivide(x,y) PyNumber_InPlaceDivide(x,y) #endif #ifndef __PYX_EXTERN_C #ifdef __cplusplus #define __PYX_EXTERN_C extern "C" #else #define __PYX_EXTERN_C extern #endif #endif #if defined(WIN32) || defined(MS_WINDOWS) #define _USE_MATH_DEFINES #endif #include #define __PYX_HAVE__PyMca5__PyMcaPhysics__xas___xas #define __PYX_HAVE_API__PyMca5__PyMcaPhysics__xas___xas #include "string.h" #include "stdio.h" #include "stdlib.h" #include "numpy/arrayobject.h" #include "numpy/ufuncobject.h" #include "polspl.h" #include "bessel0.h" #include "pythread.h" #include "pystate.h" #ifdef _OPENMP #include #endif /* _OPENMP */ #ifdef PYREX_WITHOUT_ASSERTIONS #define CYTHON_WITHOUT_ASSERTIONS #endif #ifndef CYTHON_UNUSED # if defined(__GNUC__) # if !(defined(__cplusplus)) || (__GNUC__ > 3 || (__GNUC__ == 3 && __GNUC_MINOR__ >= 4)) # define CYTHON_UNUSED __attribute__ ((__unused__)) # else # define CYTHON_UNUSED # endif # elif defined(__ICC) || (defined(__INTEL_COMPILER) && !defined(_MSC_VER)) # define CYTHON_UNUSED __attribute__ ((__unused__)) # else # define CYTHON_UNUSED # endif #endif typedef struct {PyObject **p; char *s; const Py_ssize_t n; const char* encoding; const char is_unicode; const char is_str; const char intern; } __Pyx_StringTabEntry; /*proto*/ #define __PYX_DEFAULT_STRING_ENCODING_IS_ASCII 0 #define __PYX_DEFAULT_STRING_ENCODING_IS_DEFAULT 0 #define __PYX_DEFAULT_STRING_ENCODING "" #define __Pyx_PyObject_FromString __Pyx_PyBytes_FromString #define __Pyx_PyObject_FromStringAndSize __Pyx_PyBytes_FromStringAndSize static CYTHON_INLINE char* __Pyx_PyObject_AsString(PyObject*); static CYTHON_INLINE char* __Pyx_PyObject_AsStringAndSize(PyObject*, Py_ssize_t* length); #define __Pyx_PyBytes_FromString PyBytes_FromString #define __Pyx_PyBytes_FromStringAndSize PyBytes_FromStringAndSize static CYTHON_INLINE PyObject* __Pyx_PyUnicode_FromString(char*); #if PY_MAJOR_VERSION < 3 #define __Pyx_PyStr_FromString __Pyx_PyBytes_FromString #define __Pyx_PyStr_FromStringAndSize __Pyx_PyBytes_FromStringAndSize #else #define __Pyx_PyStr_FromString __Pyx_PyUnicode_FromString #define __Pyx_PyStr_FromStringAndSize __Pyx_PyUnicode_FromStringAndSize #endif #define __Pyx_PyObject_AsUString(s) ((unsigned char*) __Pyx_PyObject_AsString(s)) #define __Pyx_PyObject_FromUString(s) __Pyx_PyObject_FromString((char*)s) #define __Pyx_PyBytes_FromUString(s) __Pyx_PyBytes_FromString((char*)s) #define __Pyx_PyStr_FromUString(s) __Pyx_PyStr_FromString((char*)s) #define __Pyx_PyUnicode_FromUString(s) __Pyx_PyUnicode_FromString((char*)s) #if PY_MAJOR_VERSION < 3 static CYTHON_INLINE size_t __Pyx_Py_UNICODE_strlen(const Py_UNICODE *u) { const Py_UNICODE *u_end = u; while (*u_end++) ; return u_end - u - 1; } #else #define __Pyx_Py_UNICODE_strlen Py_UNICODE_strlen #endif #define __Pyx_PyUnicode_FromUnicode(u) PyUnicode_FromUnicode(u, __Pyx_Py_UNICODE_strlen(u)) #define __Pyx_PyUnicode_FromUnicodeAndLength PyUnicode_FromUnicode #define __Pyx_PyUnicode_AsUnicode PyUnicode_AsUnicode #define __Pyx_Owned_Py_None(b) (Py_INCREF(Py_None), Py_None) #define __Pyx_PyBool_FromLong(b) ((b) ? (Py_INCREF(Py_True), Py_True) : (Py_INCREF(Py_False), Py_False)) static CYTHON_INLINE int __Pyx_PyObject_IsTrue(PyObject*); static CYTHON_INLINE PyObject* __Pyx_PyNumber_Int(PyObject* x); static CYTHON_INLINE Py_ssize_t __Pyx_PyIndex_AsSsize_t(PyObject*); static CYTHON_INLINE PyObject * __Pyx_PyInt_FromSize_t(size_t); static CYTHON_INLINE size_t __Pyx_PyInt_AsSize_t(PyObject*); #if CYTHON_COMPILING_IN_CPYTHON #define __pyx_PyFloat_AsDouble(x) (PyFloat_CheckExact(x) ? PyFloat_AS_DOUBLE(x) : PyFloat_AsDouble(x)) #else #define __pyx_PyFloat_AsDouble(x) PyFloat_AsDouble(x) #endif #define __pyx_PyFloat_AsFloat(x) ((float) __pyx_PyFloat_AsDouble(x)) #if PY_MAJOR_VERSION < 3 && __PYX_DEFAULT_STRING_ENCODING_IS_ASCII static int __Pyx_sys_getdefaultencoding_not_ascii; static int __Pyx_init_sys_getdefaultencoding_params() { PyObject* sys = NULL; PyObject* default_encoding = NULL; PyObject* ascii_chars_u = NULL; PyObject* ascii_chars_b = NULL; sys = PyImport_ImportModule("sys"); if (sys == NULL) goto bad; default_encoding = PyObject_CallMethod(sys, (char*) (const char*) "getdefaultencoding", NULL); if (default_encoding == NULL) goto bad; if (strcmp(PyBytes_AsString(default_encoding), "ascii") == 0) { __Pyx_sys_getdefaultencoding_not_ascii = 0; } else { const char* default_encoding_c = PyBytes_AS_STRING(default_encoding); char ascii_chars[128]; int c; for (c = 0; c < 128; c++) { ascii_chars[c] = c; } __Pyx_sys_getdefaultencoding_not_ascii = 1; ascii_chars_u = PyUnicode_DecodeASCII(ascii_chars, 128, NULL); 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static PyObject *__pyx_d; static PyObject *__pyx_b; static PyObject *__pyx_empty_tuple; static PyObject *__pyx_empty_bytes; static int __pyx_lineno; static int __pyx_clineno = 0; static const char * __pyx_cfilenm= __FILE__; static const char *__pyx_filename; #if !defined(CYTHON_CCOMPLEX) #if defined(__cplusplus) #define CYTHON_CCOMPLEX 1 #elif defined(_Complex_I) #define CYTHON_CCOMPLEX 1 #else #define CYTHON_CCOMPLEX 0 #endif #endif #if CYTHON_CCOMPLEX #ifdef __cplusplus #include #else #include #endif #endif #if CYTHON_CCOMPLEX && !defined(__cplusplus) && defined(__sun__) && defined(__GNUC__) #undef _Complex_I #define _Complex_I 1.0fj #endif static const char *__pyx_f[] = { "_xas.pyx", "numpy.pxd", "stringsource", "type.pxd", }; struct __pyx_memoryview_obj; typedef struct { struct __pyx_memoryview_obj *memview; char *data; Py_ssize_t shape[8]; Py_ssize_t strides[8]; Py_ssize_t suboffsets[8]; } __Pyx_memviewslice; #define IS_UNSIGNED(type) (((type) -1) > 0) struct __Pyx_StructField_; #define __PYX_BUF_FLAGS_PACKED_STRUCT (1 << 0) typedef struct { const char* name; /* for error messages only */ struct __Pyx_StructField_* fields; size_t size; /* sizeof(type) */ size_t arraysize[8]; /* length of array in each dimension */ int ndim; char typegroup; /* _R_eal, _C_omplex, Signed _I_nt, _U_nsigned int, _S_truct, _P_ointer, _O_bject, c_H_ar */ char is_unsigned; int flags; } __Pyx_TypeInfo; typedef struct __Pyx_StructField_ { __Pyx_TypeInfo* type; const char* name; size_t offset; } __Pyx_StructField; typedef struct { __Pyx_StructField* field; size_t parent_offset; } __Pyx_BufFmt_StackElem; typedef struct { __Pyx_StructField root; __Pyx_BufFmt_StackElem* head; size_t fmt_offset; size_t new_count, enc_count; size_t struct_alignment; int is_complex; char enc_type; char new_packmode; char enc_packmode; char is_valid_array; } __Pyx_BufFmt_Context; #include #ifndef CYTHON_ATOMICS #define CYTHON_ATOMICS 1 #endif #define __pyx_atomic_int_type int #if CYTHON_ATOMICS && __GNUC__ >= 4 && (__GNUC_MINOR__ > 1 || \ (__GNUC_MINOR__ == 1 && __GNUC_PATCHLEVEL >= 2)) && \ !defined(__i386__) #define __pyx_atomic_incr_aligned(value, lock) __sync_fetch_and_add(value, 1) #define __pyx_atomic_decr_aligned(value, lock) __sync_fetch_and_sub(value, 1) #ifdef __PYX_DEBUG_ATOMICS #warning "Using GNU atomics" #endif #elif CYTHON_ATOMICS && MSC_VER #include #define __pyx_atomic_int_type LONG #define __pyx_atomic_incr_aligned(value, lock) InterlockedIncrement(value) #define __pyx_atomic_decr_aligned(value, lock) InterlockedDecrement(value) #ifdef __PYX_DEBUG_ATOMICS #warning "Using MSVC atomics" #endif #elif CYTHON_ATOMICS && (defined(__ICC) || defined(__INTEL_COMPILER)) && 0 #define __pyx_atomic_incr_aligned(value, lock) _InterlockedIncrement(value) #define __pyx_atomic_decr_aligned(value, lock) _InterlockedDecrement(value) #ifdef __PYX_DEBUG_ATOMICS #warning "Using Intel atomics" #endif #else #undef CYTHON_ATOMICS #define CYTHON_ATOMICS 0 #ifdef __PYX_DEBUG_ATOMICS #warning "Not using atomics" #endif #endif typedef volatile __pyx_atomic_int_type __pyx_atomic_int; #if CYTHON_ATOMICS #define __pyx_add_acquisition_count(memview) \ __pyx_atomic_incr_aligned(__pyx_get_slice_count_pointer(memview), memview->lock) #define __pyx_sub_acquisition_count(memview) \ __pyx_atomic_decr_aligned(__pyx_get_slice_count_pointer(memview), memview->lock) #else #define __pyx_add_acquisition_count(memview) \ __pyx_add_acquisition_count_locked(__pyx_get_slice_count_pointer(memview), memview->lock) #define __pyx_sub_acquisition_count(memview) \ __pyx_sub_acquisition_count_locked(__pyx_get_slice_count_pointer(memview), memview->lock) #endif /* "numpy.pxd":723 * # in Cython to enable them only on the right systems. * * ctypedef npy_int8 int8_t # <<<<<<<<<<<<<< * ctypedef npy_int16 int16_t * ctypedef npy_int32 int32_t */ typedef npy_int8 __pyx_t_5numpy_int8_t; /* "numpy.pxd":724 * * ctypedef npy_int8 int8_t * ctypedef npy_int16 int16_t # <<<<<<<<<<<<<< * ctypedef npy_int32 int32_t * ctypedef npy_int64 int64_t */ typedef npy_int16 __pyx_t_5numpy_int16_t; /* "numpy.pxd":725 * ctypedef npy_int8 int8_t * ctypedef npy_int16 int16_t * ctypedef npy_int32 int32_t # <<<<<<<<<<<<<< * ctypedef npy_int64 int64_t * #ctypedef npy_int96 int96_t */ typedef npy_int32 __pyx_t_5numpy_int32_t; /* "numpy.pxd":726 * ctypedef npy_int16 int16_t * ctypedef npy_int32 int32_t * ctypedef npy_int64 int64_t # <<<<<<<<<<<<<< * #ctypedef npy_int96 int96_t * #ctypedef npy_int128 int128_t */ typedef npy_int64 __pyx_t_5numpy_int64_t; /* "numpy.pxd":730 * #ctypedef npy_int128 int128_t * * ctypedef npy_uint8 uint8_t # <<<<<<<<<<<<<< * ctypedef npy_uint16 uint16_t * ctypedef npy_uint32 uint32_t */ typedef npy_uint8 __pyx_t_5numpy_uint8_t; /* "numpy.pxd":731 * * ctypedef npy_uint8 uint8_t * ctypedef npy_uint16 uint16_t # <<<<<<<<<<<<<< * ctypedef npy_uint32 uint32_t * ctypedef npy_uint64 uint64_t */ typedef npy_uint16 __pyx_t_5numpy_uint16_t; /* "numpy.pxd":732 * ctypedef npy_uint8 uint8_t * ctypedef npy_uint16 uint16_t * ctypedef npy_uint32 uint32_t # <<<<<<<<<<<<<< * ctypedef npy_uint64 uint64_t * #ctypedef npy_uint96 uint96_t */ typedef npy_uint32 __pyx_t_5numpy_uint32_t; /* "numpy.pxd":733 * ctypedef npy_uint16 uint16_t * ctypedef npy_uint32 uint32_t * ctypedef npy_uint64 uint64_t # <<<<<<<<<<<<<< * #ctypedef npy_uint96 uint96_t * #ctypedef npy_uint128 uint128_t */ typedef npy_uint64 __pyx_t_5numpy_uint64_t; /* "numpy.pxd":737 * #ctypedef npy_uint128 uint128_t * * ctypedef npy_float32 float32_t # <<<<<<<<<<<<<< * ctypedef npy_float64 float64_t * #ctypedef npy_float80 float80_t */ typedef npy_float32 __pyx_t_5numpy_float32_t; /* "numpy.pxd":738 * * ctypedef npy_float32 float32_t * ctypedef npy_float64 float64_t # <<<<<<<<<<<<<< * #ctypedef npy_float80 float80_t * #ctypedef npy_float128 float128_t */ typedef npy_float64 __pyx_t_5numpy_float64_t; /* "numpy.pxd":747 * # The int types are mapped a bit surprising -- * # numpy.int corresponds to 'l' and numpy.long to 'q' * ctypedef npy_long int_t # <<<<<<<<<<<<<< * ctypedef npy_longlong long_t * ctypedef npy_longlong longlong_t */ typedef npy_long __pyx_t_5numpy_int_t; /* "numpy.pxd":748 * # numpy.int corresponds to 'l' and numpy.long to 'q' * ctypedef npy_long int_t * ctypedef npy_longlong long_t # <<<<<<<<<<<<<< * ctypedef npy_longlong longlong_t * */ typedef npy_longlong __pyx_t_5numpy_long_t; /* "numpy.pxd":749 * ctypedef npy_long int_t * ctypedef npy_longlong long_t * ctypedef npy_longlong longlong_t # <<<<<<<<<<<<<< * * ctypedef npy_ulong uint_t */ typedef npy_longlong __pyx_t_5numpy_longlong_t; /* "numpy.pxd":751 * ctypedef npy_longlong longlong_t * * ctypedef npy_ulong uint_t # <<<<<<<<<<<<<< * ctypedef npy_ulonglong ulong_t * ctypedef npy_ulonglong ulonglong_t */ typedef npy_ulong __pyx_t_5numpy_uint_t; /* "numpy.pxd":752 * * ctypedef npy_ulong uint_t * ctypedef npy_ulonglong ulong_t # <<<<<<<<<<<<<< * ctypedef npy_ulonglong ulonglong_t * */ typedef npy_ulonglong __pyx_t_5numpy_ulong_t; /* "numpy.pxd":753 * ctypedef npy_ulong uint_t * ctypedef npy_ulonglong ulong_t * ctypedef npy_ulonglong ulonglong_t # <<<<<<<<<<<<<< * * ctypedef npy_intp intp_t */ typedef npy_ulonglong __pyx_t_5numpy_ulonglong_t; /* "numpy.pxd":755 * ctypedef npy_ulonglong ulonglong_t * * ctypedef npy_intp intp_t # <<<<<<<<<<<<<< * ctypedef npy_uintp uintp_t * */ typedef npy_intp __pyx_t_5numpy_intp_t; /* "numpy.pxd":756 * * ctypedef npy_intp intp_t * ctypedef npy_uintp uintp_t # <<<<<<<<<<<<<< * * ctypedef npy_double float_t */ typedef npy_uintp __pyx_t_5numpy_uintp_t; /* "numpy.pxd":758 * ctypedef npy_uintp uintp_t * * ctypedef npy_double float_t # <<<<<<<<<<<<<< * ctypedef npy_double double_t * ctypedef npy_longdouble longdouble_t */ typedef npy_double __pyx_t_5numpy_float_t; /* "numpy.pxd":759 * * ctypedef npy_double float_t * ctypedef npy_double double_t # <<<<<<<<<<<<<< * ctypedef npy_longdouble longdouble_t * */ typedef npy_double __pyx_t_5numpy_double_t; /* "numpy.pxd":760 * ctypedef npy_double float_t * ctypedef npy_double double_t * ctypedef npy_longdouble longdouble_t # <<<<<<<<<<<<<< * * ctypedef npy_cfloat cfloat_t */ typedef npy_longdouble __pyx_t_5numpy_longdouble_t; #if CYTHON_CCOMPLEX #ifdef __cplusplus typedef ::std::complex< float > __pyx_t_float_complex; #else typedef float _Complex __pyx_t_float_complex; #endif #else typedef struct { float real, imag; } __pyx_t_float_complex; #endif #if CYTHON_CCOMPLEX #ifdef __cplusplus typedef ::std::complex< double > __pyx_t_double_complex; #else typedef double _Complex __pyx_t_double_complex; #endif #else typedef struct { double real, imag; } __pyx_t_double_complex; #endif /*--- Type declarations ---*/ struct __pyx_memoryview_obj; struct __pyx_array_obj; struct __pyx_MemviewEnum_obj; struct __pyx_memoryviewslice_obj; /* "numpy.pxd":762 * ctypedef npy_longdouble longdouble_t * * ctypedef npy_cfloat cfloat_t # <<<<<<<<<<<<<< * ctypedef npy_cdouble cdouble_t * ctypedef npy_clongdouble clongdouble_t */ typedef npy_cfloat __pyx_t_5numpy_cfloat_t; /* "numpy.pxd":763 * * ctypedef npy_cfloat cfloat_t * ctypedef npy_cdouble cdouble_t # <<<<<<<<<<<<<< * ctypedef npy_clongdouble clongdouble_t * */ typedef npy_cdouble __pyx_t_5numpy_cdouble_t; /* "numpy.pxd":764 * ctypedef npy_cfloat cfloat_t * ctypedef npy_cdouble cdouble_t * ctypedef npy_clongdouble clongdouble_t # <<<<<<<<<<<<<< * * ctypedef npy_cdouble complex_t */ typedef npy_clongdouble __pyx_t_5numpy_clongdouble_t; /* "numpy.pxd":766 * ctypedef npy_clongdouble clongdouble_t * * ctypedef npy_cdouble complex_t # <<<<<<<<<<<<<< * * cdef inline object PyArray_MultiIterNew1(a): */ typedef npy_cdouble __pyx_t_5numpy_complex_t; /* "View.MemoryView":308 * * @cname('__pyx_memoryview') * cdef class memoryview(object): # <<<<<<<<<<<<<< * * cdef object obj */ struct __pyx_memoryview_obj { PyObject_HEAD struct __pyx_vtabstruct_memoryview *__pyx_vtab; PyObject *obj; PyObject *_size; PyObject *_array_interface; PyThread_type_lock lock; __pyx_atomic_int acquisition_count[2]; __pyx_atomic_int *acquisition_count_aligned_p; Py_buffer view; int flags; int dtype_is_object; __Pyx_TypeInfo *typeinfo; }; /* "View.MemoryView":96 * * @cname("__pyx_array") * cdef class array: # <<<<<<<<<<<<<< * * cdef: */ struct __pyx_array_obj { PyObject_HEAD char *data; Py_ssize_t len; char *format; int ndim; Py_ssize_t *_shape; Py_ssize_t *_strides; Py_ssize_t itemsize; PyObject *mode; PyObject *_format; void (*callback_free_data)(void *); int free_data; int dtype_is_object; }; /* "View.MemoryView":275 * * @cname('__pyx_MemviewEnum') * cdef class Enum(object): # <<<<<<<<<<<<<< * cdef object name * def __init__(self, name): */ struct __pyx_MemviewEnum_obj { PyObject_HEAD PyObject *name; }; /* "View.MemoryView":927 * * @cname('__pyx_memoryviewslice') * cdef class _memoryviewslice(memoryview): # <<<<<<<<<<<<<< * "Internal class for passing memoryview slices to Python" * */ struct __pyx_memoryviewslice_obj { struct __pyx_memoryview_obj __pyx_base; __Pyx_memviewslice from_slice; PyObject *from_object; PyObject *(*to_object_func)(char *); int (*to_dtype_func)(char *, PyObject *); }; /* "View.MemoryView":308 * * @cname('__pyx_memoryview') * cdef class memoryview(object): # <<<<<<<<<<<<<< * * cdef object obj */ struct __pyx_vtabstruct_memoryview { char *(*get_item_pointer)(struct __pyx_memoryview_obj *, PyObject *); PyObject *(*is_slice)(struct __pyx_memoryview_obj *, PyObject *); PyObject *(*setitem_slice_assignment)(struct __pyx_memoryview_obj *, PyObject *, PyObject *); PyObject *(*setitem_slice_assign_scalar)(struct __pyx_memoryview_obj *, struct __pyx_memoryview_obj *, PyObject *); PyObject *(*setitem_indexed)(struct __pyx_memoryview_obj *, PyObject *, PyObject *); PyObject *(*convert_item_to_object)(struct __pyx_memoryview_obj *, char *); PyObject *(*assign_item_from_object)(struct __pyx_memoryview_obj *, char *, PyObject *); }; static struct __pyx_vtabstruct_memoryview *__pyx_vtabptr_memoryview; /* "View.MemoryView":927 * * @cname('__pyx_memoryviewslice') * cdef class _memoryviewslice(memoryview): # <<<<<<<<<<<<<< * "Internal class for passing memoryview slices to Python" * */ struct __pyx_vtabstruct__memoryviewslice { struct __pyx_vtabstruct_memoryview __pyx_base; 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static CYTHON_INLINE void __Pyx_SafeReleaseBuffer(Py_buffer* info); #define __Pyx_BUF_MAX_NDIMS %(BUF_MAX_NDIMS)d #define __Pyx_MEMVIEW_DIRECT 1 #define __Pyx_MEMVIEW_PTR 2 #define __Pyx_MEMVIEW_FULL 4 #define __Pyx_MEMVIEW_CONTIG 8 #define __Pyx_MEMVIEW_STRIDED 16 #define __Pyx_MEMVIEW_FOLLOW 32 #define __Pyx_IS_C_CONTIG 1 #define __Pyx_IS_F_CONTIG 2 static int __Pyx_init_memviewslice( struct __pyx_memoryview_obj *memview, int ndim, __Pyx_memviewslice *memviewslice, int memview_is_new_reference); static CYTHON_INLINE int __pyx_add_acquisition_count_locked( __pyx_atomic_int *acquisition_count, PyThread_type_lock lock); static CYTHON_INLINE int __pyx_sub_acquisition_count_locked( __pyx_atomic_int *acquisition_count, PyThread_type_lock lock); #define __pyx_get_slice_count_pointer(memview) (memview->acquisition_count_aligned_p) #define __pyx_get_slice_count(memview) (*__pyx_get_slice_count_pointer(memview)) #define __PYX_INC_MEMVIEW(slice, have_gil) __Pyx_INC_MEMVIEW(slice, have_gil, __LINE__) #define __PYX_XDEC_MEMVIEW(slice, have_gil) __Pyx_XDEC_MEMVIEW(slice, have_gil, __LINE__) static CYTHON_INLINE void __Pyx_INC_MEMVIEW(__Pyx_memviewslice *, int, int); static CYTHON_INLINE void __Pyx_XDEC_MEMVIEW(__Pyx_memviewslice *, int, int); static void __Pyx_RaiseArgtupleInvalid(const char* func_name, int exact, Py_ssize_t num_min, Py_ssize_t num_max, Py_ssize_t num_found); /*proto*/ static void __Pyx_RaiseDoubleKeywordsError(const char* func_name, PyObject* kw_name); /*proto*/ static int __Pyx_ParseOptionalKeywords(PyObject *kwds, PyObject **argnames[], \ PyObject *kwds2, PyObject *values[], Py_ssize_t num_pos_args, \ const char* function_name); /*proto*/ static CYTHON_INLINE int __Pyx_TypeTest(PyObject *obj, PyTypeObject *type); /*proto*/ #define __Pyx_SetItemInt(o, i, v, size, to_py_func, is_list, wraparound, boundscheck) \ (((size) <= sizeof(Py_ssize_t)) ? \ __Pyx_SetItemInt_Fast(o, i, v, is_list, wraparound, boundscheck) : \ __Pyx_SetItemInt_Generic(o, to_py_func(i), v)) static CYTHON_INLINE int __Pyx_SetItemInt_Generic(PyObject *o, PyObject *j, PyObject *v); static CYTHON_INLINE int __Pyx_SetItemInt_Fast(PyObject *o, Py_ssize_t i, PyObject *v, int is_list, int wraparound, int boundscheck); #define __Pyx_GetItemInt(o, i, size, to_py_func, is_list, wraparound, boundscheck) \ (((size) <= sizeof(Py_ssize_t)) ? \ __Pyx_GetItemInt_Fast(o, i, is_list, wraparound, boundscheck) : \ __Pyx_GetItemInt_Generic(o, to_py_func(i))) #define __Pyx_GetItemInt_List(o, i, size, to_py_func, is_list, wraparound, boundscheck) \ (((size) <= sizeof(Py_ssize_t)) ? \ __Pyx_GetItemInt_List_Fast(o, i, wraparound, boundscheck) : \ __Pyx_GetItemInt_Generic(o, to_py_func(i))) static CYTHON_INLINE PyObject *__Pyx_GetItemInt_List_Fast(PyObject *o, Py_ssize_t i, int wraparound, int boundscheck); #define __Pyx_GetItemInt_Tuple(o, i, size, to_py_func, is_list, wraparound, boundscheck) \ (((size) <= sizeof(Py_ssize_t)) ? \ __Pyx_GetItemInt_Tuple_Fast(o, i, wraparound, boundscheck) : \ __Pyx_GetItemInt_Generic(o, to_py_func(i))) static CYTHON_INLINE PyObject *__Pyx_GetItemInt_Tuple_Fast(PyObject *o, Py_ssize_t i, int wraparound, int boundscheck); static CYTHON_INLINE PyObject *__Pyx_GetItemInt_Generic(PyObject *o, PyObject* j); static CYTHON_INLINE PyObject *__Pyx_GetItemInt_Fast(PyObject *o, Py_ssize_t i, int is_list, int wraparound, int boundscheck); static CYTHON_INLINE void __Pyx_ErrRestore(PyObject *type, PyObject *value, PyObject *tb); /*proto*/ static CYTHON_INLINE void __Pyx_ErrFetch(PyObject **type, PyObject **value, PyObject **tb); /*proto*/ static void __Pyx_Raise(PyObject *type, PyObject *value, PyObject *tb, PyObject *cause); /*proto*/ static CYTHON_INLINE void __Pyx_RaiseTooManyValuesError(Py_ssize_t expected); static CYTHON_INLINE void __Pyx_RaiseNeedMoreValuesError(Py_ssize_t index); static CYTHON_INLINE void __Pyx_RaiseNoneNotIterableError(void); static CYTHON_INLINE int __Pyx_IterFinish(void); /*proto*/ static int __Pyx_IternextUnpackEndCheck(PyObject *retval, Py_ssize_t expected); /*proto*/ static int __Pyx_ArgTypeTest(PyObject *obj, PyTypeObject *type, int none_allowed, const char *name, int exact); /*proto*/ static CYTHON_INLINE PyObject *__Pyx_GetAttr(PyObject *, PyObject *); /*proto*/ static CYTHON_INLINE PyObject *__Pyx_GetAttr3(PyObject *, PyObject *, PyObject *); /*proto*/ static CYTHON_INLINE Py_ssize_t __Pyx_div_Py_ssize_t(Py_ssize_t, Py_ssize_t); /* proto */ #ifndef __PYX_FORCE_INIT_THREADS #define __PYX_FORCE_INIT_THREADS 0 #endif #define UNARY_NEG_WOULD_OVERFLOW(x) (((x) < 0) & ((unsigned long)(x) == 0-(unsigned long)(x))) static CYTHON_UNUSED int __pyx_array_getbuffer(PyObject *__pyx_v_self, Py_buffer *__pyx_v_info, int __pyx_v_flags); /*proto*/ static CYTHON_INLINE int __Pyx_PyUnicode_Equals(PyObject* s1, PyObject* s2, int equals); /*proto*/ static PyObject *get_memview(PyObject *__pyx_v_self); /*proto*/ static CYTHON_INLINE PyObject* __Pyx_decode_c_string( const char* cstring, Py_ssize_t start, Py_ssize_t stop, const char* encoding, const char* errors, PyObject* (*decode_func)(const char *s, Py_ssize_t size, const char *errors)); #include static int __Pyx_GetException(PyObject **type, PyObject **value, PyObject **tb); /*proto*/ static CYTHON_UNUSED int __pyx_memoryview_getbuffer(PyObject *__pyx_v_self, Py_buffer *__pyx_v_info, int __pyx_v_flags); /*proto*/ static PyObject *__pyx_memoryview_transpose(PyObject *__pyx_v_self); /*proto*/ static PyObject *__pyx_memoryview__get__base(PyObject *__pyx_v_self); /*proto*/ static PyObject *__pyx_memoryview_get_shape(PyObject *__pyx_v_self); /*proto*/ #if CYTHON_COMPILING_IN_CPYTHON static CYTHON_INLINE int __Pyx_ListComp_Append(PyObject* list, PyObject* x) { PyListObject* L = (PyListObject*) list; Py_ssize_t len = Py_SIZE(list); if (likely(L->allocated > len)) { Py_INCREF(x); PyList_SET_ITEM(list, len, x); Py_SIZE(list) = len+1; return 0; } return PyList_Append(list, x); } #else #define __Pyx_ListComp_Append(L,x) PyList_Append(L,x) #endif static PyObject *__pyx_memoryview_get_strides(PyObject *__pyx_v_self); /*proto*/ static PyObject *__pyx_memoryview_get_suboffsets(PyObject *__pyx_v_self); /*proto*/ static PyObject *__pyx_memoryview_get_ndim(PyObject *__pyx_v_self); /*proto*/ static PyObject *__pyx_memoryview_get_itemsize(PyObject *__pyx_v_self); /*proto*/ static PyObject *__pyx_memoryview_get_nbytes(PyObject *__pyx_v_self); /*proto*/ static PyObject *__pyx_memoryview_get_size(PyObject *__pyx_v_self); /*proto*/ #if CYTHON_COMPILING_IN_CPYTHON static CYTHON_INLINE int __Pyx_PyList_Append(PyObject* list, PyObject* x) { PyListObject* L = (PyListObject*) list; Py_ssize_t len = Py_SIZE(list); if (likely(L->allocated > len) & likely(len > (L->allocated >> 1))) { Py_INCREF(x); PyList_SET_ITEM(list, len, x); Py_SIZE(list) = len+1; return 0; } return PyList_Append(list, x); } #else #define __Pyx_PyList_Append(L,x) PyList_Append(L,x) #endif static CYTHON_INLINE void __Pyx_RaiseUnboundLocalError(const char *varname); static CYTHON_INLINE long __Pyx_div_long(long, long); /* proto */ static PyObject *__pyx_memoryviewslice__get__base(PyObject *__pyx_v_self); /*proto*/ static void __Pyx_WriteUnraisable(const char *name, int clineno, int lineno, const char *filename); /*proto*/ static int __Pyx_SetVtable(PyObject *dict, void *vtable); /*proto*/ typedef struct { Py_ssize_t shape, strides, suboffsets; } __Pyx_Buf_DimInfo; typedef struct { size_t refcount; Py_buffer pybuffer; } __Pyx_Buffer; typedef struct { __Pyx_Buffer *rcbuffer; char *data; __Pyx_Buf_DimInfo diminfo[8]; } __Pyx_LocalBuf_ND; #if PY_MAJOR_VERSION < 3 static int __Pyx_GetBuffer(PyObject *obj, Py_buffer *view, int flags); static void __Pyx_ReleaseBuffer(Py_buffer *view); #else #define __Pyx_GetBuffer PyObject_GetBuffer #define __Pyx_ReleaseBuffer PyBuffer_Release #endif static Py_ssize_t __Pyx_zeros[] = {0, 0, 0, 0, 0, 0, 0, 0}; static Py_ssize_t __Pyx_minusones[] = {-1, -1, -1, -1, -1, -1, -1, -1}; static PyObject *__Pyx_Import(PyObject *name, PyObject *from_list, int level); /*proto*/ static PyObject *__pyx_memview_get_double(const char *itemp); /* proto */ static int __pyx_memview_set_double(const char *itemp, PyObject *obj); /* proto */ #if CYTHON_CCOMPLEX #ifdef __cplusplus #define __Pyx_CREAL(z) ((z).real()) #define __Pyx_CIMAG(z) ((z).imag()) #else #define __Pyx_CREAL(z) (__real__(z)) #define __Pyx_CIMAG(z) (__imag__(z)) #endif #else #define __Pyx_CREAL(z) ((z).real) #define __Pyx_CIMAG(z) ((z).imag) #endif #if defined(_WIN32) && defined(__cplusplus) && CYTHON_CCOMPLEX #define __Pyx_SET_CREAL(z,x) ((z).real(x)) #define __Pyx_SET_CIMAG(z,y) ((z).imag(y)) #else #define __Pyx_SET_CREAL(z,x) __Pyx_CREAL(z) = (x) #define __Pyx_SET_CIMAG(z,y) __Pyx_CIMAG(z) = (y) #endif static CYTHON_INLINE __pyx_t_float_complex __pyx_t_float_complex_from_parts(float, float); #if CYTHON_CCOMPLEX #define __Pyx_c_eqf(a, b) ((a)==(b)) #define __Pyx_c_sumf(a, b) ((a)+(b)) #define __Pyx_c_difff(a, b) ((a)-(b)) #define __Pyx_c_prodf(a, b) ((a)*(b)) #define __Pyx_c_quotf(a, b) ((a)/(b)) #define __Pyx_c_negf(a) (-(a)) #ifdef __cplusplus #define __Pyx_c_is_zerof(z) ((z)==(float)0) #define __Pyx_c_conjf(z) (::std::conj(z)) #if 1 #define __Pyx_c_absf(z) (::std::abs(z)) #define __Pyx_c_powf(a, b) (::std::pow(a, b)) #endif #else #define __Pyx_c_is_zerof(z) ((z)==0) #define __Pyx_c_conjf(z) (conjf(z)) #if 1 #define __Pyx_c_absf(z) (cabsf(z)) #define __Pyx_c_powf(a, b) (cpowf(a, b)) #endif #endif #else static CYTHON_INLINE int __Pyx_c_eqf(__pyx_t_float_complex, __pyx_t_float_complex); static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_sumf(__pyx_t_float_complex, __pyx_t_float_complex); static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_difff(__pyx_t_float_complex, __pyx_t_float_complex); static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_prodf(__pyx_t_float_complex, __pyx_t_float_complex); static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_quotf(__pyx_t_float_complex, __pyx_t_float_complex); static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_negf(__pyx_t_float_complex); static CYTHON_INLINE int __Pyx_c_is_zerof(__pyx_t_float_complex); static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_conjf(__pyx_t_float_complex); #if 1 static CYTHON_INLINE float __Pyx_c_absf(__pyx_t_float_complex); static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_powf(__pyx_t_float_complex, __pyx_t_float_complex); #endif #endif static CYTHON_INLINE __pyx_t_double_complex __pyx_t_double_complex_from_parts(double, double); #if CYTHON_CCOMPLEX #define __Pyx_c_eq(a, b) ((a)==(b)) #define __Pyx_c_sum(a, b) ((a)+(b)) #define __Pyx_c_diff(a, b) ((a)-(b)) #define __Pyx_c_prod(a, b) ((a)*(b)) #define __Pyx_c_quot(a, b) ((a)/(b)) #define __Pyx_c_neg(a) (-(a)) #ifdef __cplusplus #define __Pyx_c_is_zero(z) ((z)==(double)0) #define __Pyx_c_conj(z) (::std::conj(z)) #if 1 #define __Pyx_c_abs(z) (::std::abs(z)) #define __Pyx_c_pow(a, b) (::std::pow(a, b)) #endif #else #define __Pyx_c_is_zero(z) ((z)==0) #define __Pyx_c_conj(z) (conj(z)) #if 1 #define __Pyx_c_abs(z) (cabs(z)) #define __Pyx_c_pow(a, b) (cpow(a, b)) #endif #endif #else static CYTHON_INLINE int __Pyx_c_eq(__pyx_t_double_complex, __pyx_t_double_complex); static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_sum(__pyx_t_double_complex, __pyx_t_double_complex); static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_diff(__pyx_t_double_complex, __pyx_t_double_complex); static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_prod(__pyx_t_double_complex, __pyx_t_double_complex); static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_quot(__pyx_t_double_complex, __pyx_t_double_complex); static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_neg(__pyx_t_double_complex); static CYTHON_INLINE int __Pyx_c_is_zero(__pyx_t_double_complex); static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_conj(__pyx_t_double_complex); #if 1 static CYTHON_INLINE double __Pyx_c_abs(__pyx_t_double_complex); static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_pow(__pyx_t_double_complex, __pyx_t_double_complex); #endif #endif static int __pyx_memviewslice_is_contig(const __Pyx_memviewslice *mvs, char order, int ndim); static int __pyx_slices_overlap(__Pyx_memviewslice *slice1, __Pyx_memviewslice *slice2, int ndim, size_t itemsize); static __Pyx_memviewslice __pyx_memoryview_copy_new_contig(const __Pyx_memviewslice *from_mvs, const char *mode, int ndim, size_t sizeof_dtype, int contig_flag, int dtype_is_object); static CYTHON_INLINE PyObject *__pyx_capsule_create(void *p, const char *sig); static CYTHON_INLINE void __Pyx_ExceptionSave(PyObject **type, PyObject **value, PyObject **tb); /*proto*/ static void __Pyx_ExceptionReset(PyObject *type, PyObject *value, PyObject *tb); /*proto*/ static CYTHON_INLINE unsigned char __Pyx_PyInt_AsUnsignedChar(PyObject *); static CYTHON_INLINE unsigned short __Pyx_PyInt_AsUnsignedShort(PyObject *); static CYTHON_INLINE unsigned int __Pyx_PyInt_AsUnsignedInt(PyObject *); static CYTHON_INLINE char __Pyx_PyInt_AsChar(PyObject *); static CYTHON_INLINE short __Pyx_PyInt_AsShort(PyObject *); static CYTHON_INLINE int __Pyx_PyInt_AsInt(PyObject *); static CYTHON_INLINE signed char __Pyx_PyInt_AsSignedChar(PyObject *); static CYTHON_INLINE signed short __Pyx_PyInt_AsSignedShort(PyObject *); static CYTHON_INLINE signed int __Pyx_PyInt_AsSignedInt(PyObject *); static CYTHON_INLINE int __Pyx_PyInt_AsLongDouble(PyObject *); static CYTHON_INLINE unsigned long __Pyx_PyInt_AsUnsignedLong(PyObject *); static CYTHON_INLINE unsigned PY_LONG_LONG __Pyx_PyInt_AsUnsignedLongLong(PyObject *); static CYTHON_INLINE long __Pyx_PyInt_AsLong(PyObject *); static CYTHON_INLINE PY_LONG_LONG __Pyx_PyInt_AsLongLong(PyObject *); static CYTHON_INLINE signed long __Pyx_PyInt_AsSignedLong(PyObject *); static CYTHON_INLINE signed PY_LONG_LONG __Pyx_PyInt_AsSignedLongLong(PyObject *); static int __pyx_typeinfo_cmp(__Pyx_TypeInfo *a, __Pyx_TypeInfo *b); static int __Pyx_ValidateAndInit_memviewslice( int *axes_specs, int c_or_f_flag, int buf_flags, int ndim, __Pyx_TypeInfo *dtype, __Pyx_BufFmt_StackElem stack[], __Pyx_memviewslice *memviewslice, PyObject *original_obj); static CYTHON_INLINE __Pyx_memviewslice __Pyx_PyObject_to_MemoryviewSlice_ds_double(PyObject *); static CYTHON_INLINE __Pyx_memviewslice __Pyx_PyObject_to_MemoryviewSlice_ds_int(PyObject *); static int __Pyx_check_binary_version(void); #if !defined(__Pyx_PyIdentifier_FromString) #if PY_MAJOR_VERSION < 3 #define __Pyx_PyIdentifier_FromString(s) PyString_FromString(s) #else #define __Pyx_PyIdentifier_FromString(s) PyUnicode_FromString(s) #endif #endif static PyObject *__Pyx_ImportModule(const char *name); /*proto*/ static PyTypeObject *__Pyx_ImportType(const char *module_name, const char *class_name, size_t size, int strict); /*proto*/ typedef struct { int code_line; PyCodeObject* code_object; } __Pyx_CodeObjectCacheEntry; struct __Pyx_CodeObjectCache { int count; int max_count; __Pyx_CodeObjectCacheEntry* entries; }; static struct __Pyx_CodeObjectCache __pyx_code_cache = {0,0,NULL}; static int __pyx_bisect_code_objects(__Pyx_CodeObjectCacheEntry* entries, int count, int code_line); static PyCodeObject *__pyx_find_code_object(int code_line); static void __pyx_insert_code_object(int code_line, PyCodeObject* code_object); static void __Pyx_AddTraceback(const char *funcname, int c_line, int py_line, const char *filename); /*proto*/ static int __Pyx_InitStrings(__Pyx_StringTabEntry *t); /*proto*/ /* Module declarations from 'cython.view' */ /* Module declarations from 'cython' */ /* Module declarations from 'cpython.buffer' */ /* Module declarations from 'cpython.ref' */ /* Module declarations from 'libc.string' */ /* Module declarations from 'libc.stdio' */ /* Module declarations from 'cpython.object' */ /* Module declarations from '__builtin__' */ /* Module declarations from 'cpython.type' */ static PyTypeObject *__pyx_ptype_7cpython_4type_type = 0; /* Module declarations from 'libc.stdlib' */ /* Module declarations from 'numpy' */ /* Module declarations from 'numpy' */ static PyTypeObject *__pyx_ptype_5numpy_dtype = 0; static PyTypeObject *__pyx_ptype_5numpy_flatiter = 0; static PyTypeObject *__pyx_ptype_5numpy_broadcast = 0; static PyTypeObject *__pyx_ptype_5numpy_ndarray = 0; static PyTypeObject *__pyx_ptype_5numpy_ufunc = 0; static CYTHON_INLINE char *__pyx_f_5numpy__util_dtypestring(PyArray_Descr *, char *, char *, int *); /*proto*/ /* Module declarations from 'polspl' */ /* Module declarations from 'bessel0' */ /* Module declarations from 'PyMca5.PyMcaPhysics.xas._xas' */ static PyTypeObject *__pyx_memoryview_type = 0; static PyTypeObject *__pyx_array_type = 0; static PyTypeObject *__pyx_MemviewEnum_type = 0; static PyTypeObject *__pyx_memoryviewslice_type = 0; static PyObject *generic = 0; static PyObject *strided = 0; static PyObject *indirect = 0; static PyObject *contiguous = 0; static PyObject *indirect_contiguous = 0; static struct __pyx_array_obj *__pyx_array_new(PyObject *, Py_ssize_t, char *, char *, char *); /*proto*/ static void *__pyx_align_pointer(void *, size_t); /*proto*/ static PyObject *__pyx_memoryview_new(PyObject *, int, int, __Pyx_TypeInfo *); /*proto*/ static CYTHON_INLINE int __pyx_memoryview_check(PyObject *); /*proto*/ static PyObject *_unellipsify(PyObject *, int); /*proto*/ static PyObject *assert_direct_dimensions(Py_ssize_t *, int); /*proto*/ static struct __pyx_memoryview_obj *__pyx_memview_slice(struct __pyx_memoryview_obj *, PyObject *); /*proto*/ static int __pyx_memoryview_slice_memviewslice(__Pyx_memviewslice *, Py_ssize_t, Py_ssize_t, Py_ssize_t, int, int, int *, Py_ssize_t, Py_ssize_t, Py_ssize_t, int, int, int, int); /*proto*/ static char *__pyx_pybuffer_index(Py_buffer *, char *, Py_ssize_t, int); /*proto*/ static int __pyx_memslice_transpose(__Pyx_memviewslice *); /*proto*/ static PyObject *__pyx_memoryview_fromslice(__Pyx_memviewslice, int, PyObject *(*)(char *), int (*)(char *, PyObject *), int); /*proto*/ static __Pyx_memviewslice *__pyx_memoryview_get_slice_from_memoryview(struct __pyx_memoryview_obj *, __Pyx_memviewslice *); /*proto*/ static void __pyx_memoryview_slice_copy(struct __pyx_memoryview_obj *, __Pyx_memviewslice *); /*proto*/ static PyObject *__pyx_memoryview_copy_object(struct __pyx_memoryview_obj *); /*proto*/ static PyObject *__pyx_memoryview_copy_object_from_slice(struct __pyx_memoryview_obj *, __Pyx_memviewslice *); /*proto*/ static Py_ssize_t abs_py_ssize_t(Py_ssize_t); /*proto*/ static char __pyx_get_best_slice_order(__Pyx_memviewslice *, int); /*proto*/ static void _copy_strided_to_strided(char *, Py_ssize_t *, char *, Py_ssize_t *, Py_ssize_t *, Py_ssize_t *, int, size_t); /*proto*/ static void copy_strided_to_strided(__Pyx_memviewslice *, __Pyx_memviewslice *, int, size_t); /*proto*/ static Py_ssize_t __pyx_memoryview_slice_get_size(__Pyx_memviewslice *, int); /*proto*/ static Py_ssize_t __pyx_fill_contig_strides_array(Py_ssize_t *, Py_ssize_t *, Py_ssize_t, int, char); /*proto*/ static void *__pyx_memoryview_copy_data_to_temp(__Pyx_memviewslice *, __Pyx_memviewslice *, char, int); /*proto*/ static int __pyx_memoryview_err_extents(int, Py_ssize_t, Py_ssize_t); /*proto*/ static int __pyx_memoryview_err_dim(PyObject *, char *, int); /*proto*/ static int __pyx_memoryview_err(PyObject *, char *); /*proto*/ static int __pyx_memoryview_copy_contents(__Pyx_memviewslice, __Pyx_memviewslice, int, int, int); /*proto*/ static void __pyx_memoryview_broadcast_leading(__Pyx_memviewslice *, int, int); /*proto*/ static void __pyx_memoryview_refcount_copying(__Pyx_memviewslice *, int, int, int); /*proto*/ static void __pyx_memoryview_refcount_objects_in_slice_with_gil(char *, Py_ssize_t *, Py_ssize_t *, int, int); /*proto*/ static void __pyx_memoryview_refcount_objects_in_slice(char *, Py_ssize_t *, Py_ssize_t *, int, int); /*proto*/ static void __pyx_memoryview_slice_assign_scalar(__Pyx_memviewslice *, int, size_t, void *, int); /*proto*/ static void __pyx_memoryview__slice_assign_scalar(char *, Py_ssize_t *, Py_ssize_t *, int, size_t, void *); /*proto*/ static __Pyx_TypeInfo __Pyx_TypeInfo_double = { "double", NULL, sizeof(double), { 0 }, 0, 'R', 0, 0 }; static __Pyx_TypeInfo __Pyx_TypeInfo_int = { "int", NULL, sizeof(int), { 0 }, 0, IS_UNSIGNED(int) ? 'U' : 'I', IS_UNSIGNED(int), 0 }; #define __Pyx_MODULE_NAME "PyMca5.PyMcaPhysics.xas._xas" int __pyx_module_is_main_PyMca5__PyMcaPhysics__xas___xas = 0; /* Implementation of 'PyMca5.PyMcaPhysics.xas._xas' */ static PyObject *__pyx_builtin_range; static PyObject *__pyx_builtin_ValueError; static PyObject *__pyx_builtin_RuntimeError; static PyObject *__pyx_builtin_MemoryError; static PyObject *__pyx_builtin_enumerate; static PyObject *__pyx_builtin_Ellipsis; static PyObject *__pyx_builtin_TypeError; static PyObject *__pyx_builtin_xrange; static PyObject *__pyx_builtin_id; static PyObject *__pyx_builtin_IndexError; static PyObject *__pyx_pf_6PyMca5_12PyMcaPhysics_3xas_4_xas_j0(CYTHON_UNUSED PyObject *__pyx_self, PyObject *__pyx_v_x); /* proto */ static PyObject *__pyx_pf_6PyMca5_12PyMcaPhysics_3xas_4_xas_2_besselMultiple(CYTHON_UNUSED PyObject *__pyx_self, PyObject *__pyx_v_x); /* proto */ static PyObject *__pyx_pf_6PyMca5_12PyMcaPhysics_3xas_4_xas_4_besselSingle(CYTHON_UNUSED PyObject *__pyx_self, double __pyx_v_x); /* proto */ static PyObject *__pyx_pf_6PyMca5_12PyMcaPhysics_3xas_4_xas_6polspl(CYTHON_UNUSED PyObject *__pyx_self, PyObject *__pyx_v_x, PyObject *__pyx_v_y, PyObject *__pyx_v_w, PyObject *__pyx_v_npts, PyObject *__pyx_v_xl, PyObject *__pyx_v_xh, PyObject *__pyx_v_nr, PyObject *__pyx_v_nc); /* proto */ static PyObject *__pyx_pf_6PyMca5_12PyMcaPhysics_3xas_4_xas_8polspl2(CYTHON_UNUSED PyObject *__pyx_self, PyObject *__pyx_v_x, PyObject *__pyx_v_y, PyObject *__pyx_v_w, PyObject *__pyx_v_npts, PyObject *__pyx_v_xl0, PyObject *__pyx_v_xh0, PyObject *__pyx_v_nr, PyObject *__pyx_v_nc); /* proto */ static int __pyx_pf_5numpy_7ndarray___getbuffer__(PyArrayObject *__pyx_v_self, Py_buffer *__pyx_v_info, int __pyx_v_flags); /* proto */ static void __pyx_pf_5numpy_7ndarray_2__releasebuffer__(PyArrayObject *__pyx_v_self, Py_buffer *__pyx_v_info); /* proto */ static int __pyx_array_MemoryView_5array___cinit__(struct __pyx_array_obj *__pyx_v_self, PyObject *__pyx_v_shape, Py_ssize_t __pyx_v_itemsize, PyObject *__pyx_v_format, PyObject *__pyx_v_mode, int __pyx_v_allocate_buffer); /* proto */ static int __pyx_array_getbuffer_MemoryView_5array_2__getbuffer__(struct __pyx_array_obj *__pyx_v_self, Py_buffer *__pyx_v_info, int __pyx_v_flags); /* proto */ static void __pyx_array_MemoryView_5array_4__dealloc__(struct __pyx_array_obj *__pyx_v_self); /* proto */ static PyObject *get_memview_MemoryView_5array_7memview___get__(struct __pyx_array_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_array_MemoryView_5array_6__getattr__(struct __pyx_array_obj *__pyx_v_self, PyObject *__pyx_v_attr); /* proto */ static PyObject *__pyx_array_MemoryView_5array_8__getitem__(struct __pyx_array_obj *__pyx_v_self, PyObject *__pyx_v_item); /* proto */ static int __pyx_array_MemoryView_5array_10__setitem__(struct __pyx_array_obj *__pyx_v_self, PyObject *__pyx_v_item, PyObject *__pyx_v_value); /* proto */ static int __pyx_MemviewEnum_MemoryView_4Enum___init__(struct __pyx_MemviewEnum_obj *__pyx_v_self, PyObject *__pyx_v_name); /* proto */ static PyObject *__pyx_MemviewEnum_MemoryView_4Enum_2__repr__(struct __pyx_MemviewEnum_obj *__pyx_v_self); /* proto */ static int __pyx_memoryview_MemoryView_10memoryview___cinit__(struct __pyx_memoryview_obj *__pyx_v_self, PyObject *__pyx_v_obj, int __pyx_v_flags, int __pyx_v_dtype_is_object); /* proto */ static void __pyx_memoryview_MemoryView_10memoryview_2__dealloc__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_MemoryView_10memoryview_4__getitem__(struct __pyx_memoryview_obj *__pyx_v_self, PyObject *__pyx_v_index); /* proto */ static int __pyx_memoryview_MemoryView_10memoryview_6__setitem__(struct __pyx_memoryview_obj *__pyx_v_self, PyObject *__pyx_v_index, PyObject *__pyx_v_value); /* proto */ static int __pyx_memoryview_getbuffer_MemoryView_10memoryview_8__getbuffer__(struct __pyx_memoryview_obj *__pyx_v_self, Py_buffer *__pyx_v_info, int __pyx_v_flags); /* proto */ static PyObject *__pyx_memoryview_transpose_MemoryView_10memoryview_1T___get__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview__get__base_MemoryView_10memoryview_4base___get__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_get_shape_MemoryView_10memoryview_5shape___get__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_get_strides_MemoryView_10memoryview_7strides___get__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_get_suboffsets_MemoryView_10memoryview_10suboffsets___get__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_get_ndim_MemoryView_10memoryview_4ndim___get__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_get_itemsize_MemoryView_10memoryview_8itemsize___get__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_get_nbytes_MemoryView_10memoryview_6nbytes___get__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_get_size_MemoryView_10memoryview_4size___get__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static Py_ssize_t __pyx_memoryview_MemoryView_10memoryview_10__len__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_MemoryView_10memoryview_12__repr__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_MemoryView_10memoryview_14__str__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_MemoryView_10memoryview_16is_c_contig(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_MemoryView_10memoryview_18is_f_contig(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_MemoryView_10memoryview_20copy(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_MemoryView_10memoryview_22copy_fortran(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static void __pyx_memoryviewslice_MemoryView_16_memoryviewslice___dealloc__(struct __pyx_memoryviewslice_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryviewslice__get__base_MemoryView_16_memoryviewslice_4base___get__(struct __pyx_memoryviewslice_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_tp_new_memoryview(PyTypeObject *t, PyObject *a, PyObject *k); /*proto*/ static PyObject *__pyx_tp_new_array(PyTypeObject *t, PyObject *a, PyObject *k); /*proto*/ static PyObject *__pyx_tp_new_Enum(PyTypeObject *t, PyObject *a, PyObject *k); /*proto*/ static PyObject *__pyx_tp_new__memoryviewslice(PyTypeObject *t, PyObject *a, PyObject *k); /*proto*/ static char __pyx_k_9[] = "ndarray is not C contiguous"; static char __pyx_k_11[] = "ndarray is not Fortran contiguous"; static char __pyx_k_13[] = "Non-native byte order not supported"; static char __pyx_k_15[] = "unknown dtype code in numpy.pxd (%d)"; static char __pyx_k_16[] = "Format string allocated too short, see comment in numpy.pxd"; static char __pyx_k_19[] = "Format string allocated too short."; static char __pyx_k_21[] = "Empty shape tuple for cython.array"; static char __pyx_k_23[] = "itemsize <= 0 for cython.array"; static char __pyx_k_26[] = "unable to allocate shape or strides."; static char __pyx_k_28[] = "Invalid shape in axis %d: %d."; static char __pyx_k_29[] = "Invalid mode, expected 'c' or 'fortran', got %s"; static char __pyx_k_31[] = "unable to allocate array data."; static char __pyx_k_33[] = "Can only create a buffer that is contiguous in memory."; static char __pyx_k_35[] = "Unable to convert item to object"; static char __pyx_k_37[] = "Buffer view does not expose strides"; static char __pyx_k_39[] = ""; static char __pyx_k_40[] = ""; static char __pyx_k_43[] = "Cannot index with type '%s'"; static char __pyx_k_45[] = "Indirect dimensions not supported"; static char __pyx_k_47[] = "Index out of bounds (axis %d)"; static char __pyx_k_48[] = "Step may not be zero (axis %d)"; static char __pyx_k_49[] = "All dimensions preceding dimension %d must be indexed and not sliced"; static char __pyx_k_50[] = "Out of bounds on buffer access (axis %d)"; static char __pyx_k_51[] = "Cannot transpose memoryview with indirect dimensions"; static char __pyx_k_52[] = "got differing extents in dimension %d (got %d and %d)"; static char __pyx_k_53[] = "Dimension %d is not direct"; static char __pyx_k_56[] = "C:\\GIT\\PYMCA_REFERENCE\\pymca\\PyMca5\\PyMcaPhysics\\xas\\_xas\\cython\\_xas.pyx"; static char __pyx_k_57[] = "PyMca5.PyMcaPhysics.xas._xas"; static char __pyx_k_66[] = "getbuffer(obj, view, flags)"; static char __pyx_k_67[] = ""; static char __pyx_k_69[] = ""; static char __pyx_k_71[] = ""; static char __pyx_k_73[] = ""; static char __pyx_k_75[] = ""; static char __pyx_k__B[] = "B"; static char __pyx_k__H[] = "H"; static char __pyx_k__I[] = "I"; static char __pyx_k__L[] = "L"; static char __pyx_k__O[] = "O"; static char __pyx_k__Q[] = "Q"; static char __pyx_k__a[] = "a"; static char __pyx_k__b[] = "b"; static char __pyx_k__c[] = "c"; static char __pyx_k__d[] = "d"; static char __pyx_k__f[] = "f"; static char __pyx_k__g[] = "g"; static char __pyx_k__h[] = "h"; static char __pyx_k__i[] = "i"; static char __pyx_k__j[] = "j"; static char __pyx_k__k[] = "k"; static char __pyx_k__l[] = "l"; static char __pyx_k__m[] = "m"; static char __pyx_k__n[] = "n"; static char __pyx_k__q[] = "q"; 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goto __pyx_L10; } /*else*/ { /* "View.MemoryView":812 * start = shape - 1 * else: * start = shape # <<<<<<<<<<<<<< * else: * if negative_step: */ __pyx_v_start = __pyx_v_shape; } __pyx_L10:; goto __pyx_L8; } __pyx_L8:; goto __pyx_L7; } /*else*/ { /* "View.MemoryView":814 * start = shape * else: * if negative_step: # <<<<<<<<<<<<<< * start = shape - 1 * else: */ __pyx_t_2 = (__pyx_v_negative_step != 0); if (__pyx_t_2) { /* "View.MemoryView":815 * else: * if negative_step: * start = shape - 1 # <<<<<<<<<<<<<< * else: * start = 0 */ __pyx_v_start = (__pyx_v_shape - 1); goto __pyx_L11; } /*else*/ { /* "View.MemoryView":817 * start = shape - 1 * else: * start = 0 # <<<<<<<<<<<<<< * * if have_stop: */ __pyx_v_start = 0; } __pyx_L11:; } __pyx_L7:; /* "View.MemoryView":819 * start = 0 * * if have_stop: # <<<<<<<<<<<<<< * if stop < 0: * stop += shape */ __pyx_t_2 = (__pyx_v_have_stop != 0); if (__pyx_t_2) { /* "View.MemoryView":820 * * if have_stop: * if stop < 0: # <<<<<<<<<<<<<< * stop += 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/*else*/ { /* "View.MemoryView":827 * stop = shape * else: * if negative_step: # <<<<<<<<<<<<<< * stop = -1 * else: */ __pyx_t_2 = (__pyx_v_negative_step != 0); if (__pyx_t_2) { /* "View.MemoryView":828 * else: * if negative_step: * stop = -1 # <<<<<<<<<<<<<< * else: * stop = shape */ __pyx_v_stop = -1; goto __pyx_L15; } /*else*/ { /* "View.MemoryView":830 * stop = -1 * else: * stop = shape # <<<<<<<<<<<<<< * * if not have_step: */ __pyx_v_stop = __pyx_v_shape; } __pyx_L15:; } __pyx_L12:; /* "View.MemoryView":832 * stop = shape * * if not have_step: # <<<<<<<<<<<<<< * step = 1 * */ __pyx_t_2 = ((!(__pyx_v_have_step != 0)) != 0); if (__pyx_t_2) { /* "View.MemoryView":833 * * if not have_step: * step = 1 # <<<<<<<<<<<<<< * * */ __pyx_v_step = 1; goto __pyx_L16; } __pyx_L16:; /* "View.MemoryView":837 * * with cython.cdivision(True): * new_shape = (stop - start) // step # <<<<<<<<<<<<<< * * if (stop - start) - step * new_shape: */ __pyx_v_new_shape = ((__pyx_v_stop - __pyx_v_start) / __pyx_v_step); /* "View.MemoryView":839 * new_shape = (stop - start) // step * * if (stop - start) - step * new_shape: # <<<<<<<<<<<<<< * new_shape += 1 * */ __pyx_t_2 = (((__pyx_v_stop - __pyx_v_start) - (__pyx_v_step * __pyx_v_new_shape)) != 0); if (__pyx_t_2) { /* "View.MemoryView":840 * * if (stop - start) - step * new_shape: * new_shape += 1 # <<<<<<<<<<<<<< * * if new_shape < 0: */ __pyx_v_new_shape = (__pyx_v_new_shape + 1); goto __pyx_L17; } __pyx_L17:; /* "View.MemoryView":842 * new_shape += 1 * * if new_shape < 0: # <<<<<<<<<<<<<< * new_shape = 0 * */ __pyx_t_2 = ((__pyx_v_new_shape < 0) != 0); if (__pyx_t_2) { /* "View.MemoryView":843 * * if new_shape < 0: * new_shape = 0 # <<<<<<<<<<<<<< * * */ __pyx_v_new_shape = 0; goto __pyx_L18; } __pyx_L18:; /* "View.MemoryView":846 * * * dst.strides[new_ndim] = stride * step # <<<<<<<<<<<<<< * dst.shape[new_ndim] = new_shape * dst.suboffsets[new_ndim] = suboffset */ (__pyx_v_dst->strides[__pyx_v_new_ndim]) = (__pyx_v_stride * 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dst.shape[dim] = shape[dim] # <<<<<<<<<<<<<< * dst.strides[dim] = strides[dim] * if suboffsets == NULL: */ (__pyx_v_dst->shape[__pyx_v_dim]) = (__pyx_v_shape[__pyx_v_dim]); /* "View.MemoryView":1031 * for dim in range(memview.view.ndim): * dst.shape[dim] = shape[dim] * dst.strides[dim] = strides[dim] # <<<<<<<<<<<<<< * if suboffsets == NULL: * dst.suboffsets[dim] = -1 */ (__pyx_v_dst->strides[__pyx_v_dim]) = (__pyx_v_strides[__pyx_v_dim]); /* "View.MemoryView":1032 * dst.shape[dim] = shape[dim] * dst.strides[dim] = strides[dim] * if suboffsets == NULL: # <<<<<<<<<<<<<< * dst.suboffsets[dim] = -1 * else: */ __pyx_t_4 = ((__pyx_v_suboffsets == NULL) != 0); if (__pyx_t_4) { /* "View.MemoryView":1033 * dst.strides[dim] = strides[dim] * if suboffsets == NULL: * dst.suboffsets[dim] = -1 # <<<<<<<<<<<<<< * else: * dst.suboffsets[dim] = suboffsets[dim] */ (__pyx_v_dst->suboffsets[__pyx_v_dim]) = -1; goto __pyx_L5; } /*else*/ { /* "View.MemoryView":1035 * dst.suboffsets[dim] = -1 * else: * dst.suboffsets[dim] = suboffsets[dim] # <<<<<<<<<<<<<< * * @cname('__pyx_memoryview_copy_object') */ (__pyx_v_dst->suboffsets[__pyx_v_dim]) = (__pyx_v_suboffsets[__pyx_v_dim]); } __pyx_L5:; } __Pyx_RefNannyFinishContext(); } /* "View.MemoryView":1038 * * @cname('__pyx_memoryview_copy_object') * cdef memoryview_copy(memoryview memview): # <<<<<<<<<<<<<< * "Create a new memoryview object" * cdef __Pyx_memviewslice memviewslice */ static PyObject *__pyx_memoryview_copy_object(struct __pyx_memoryview_obj *__pyx_v_memview) { __Pyx_memviewslice __pyx_v_memviewslice; PyObject *__pyx_r = NULL; __Pyx_RefNannyDeclarations PyObject *__pyx_t_1 = NULL; int __pyx_lineno = 0; const char *__pyx_filename = NULL; int __pyx_clineno = 0; __Pyx_RefNannySetupContext("memoryview_copy", 0); /* "View.MemoryView":1041 * "Create a new memoryview object" * cdef __Pyx_memviewslice memviewslice * slice_copy(memview, &memviewslice) # <<<<<<<<<<<<<< * return memoryview_copy_from_slice(memview, &memviewslice) * */ __pyx_memoryview_slice_copy(__pyx_v_memview, (&__pyx_v_memviewslice)); /* "View.MemoryView":1042 * cdef __Pyx_memviewslice memviewslice * slice_copy(memview, &memviewslice) * return memoryview_copy_from_slice(memview, &memviewslice) # <<<<<<<<<<<<<< * * @cname('__pyx_memoryview_copy_object_from_slice') */ __Pyx_XDECREF(__pyx_r); __pyx_t_1 = __pyx_memoryview_copy_object_from_slice(__pyx_v_memview, (&__pyx_v_memviewslice)); if (unlikely(!__pyx_t_1)) {__pyx_filename = __pyx_f[2]; __pyx_lineno = 1042; __pyx_clineno = __LINE__; goto __pyx_L1_error;} __Pyx_GOTREF(__pyx_t_1); __pyx_r = __pyx_t_1; __pyx_t_1 = 0; goto __pyx_L0; __pyx_r = Py_None; __Pyx_INCREF(Py_None); goto __pyx_L0; __pyx_L1_error:; __Pyx_XDECREF(__pyx_t_1); __Pyx_AddTraceback("View.MemoryView.memoryview_copy", __pyx_clineno, __pyx_lineno, __pyx_filename); __pyx_r = 0; __pyx_L0:; __Pyx_XGIVEREF(__pyx_r); __Pyx_RefNannyFinishContext(); return __pyx_r; } /* "View.MemoryView":1045 * * @cname('__pyx_memoryview_copy_object_from_slice') * cdef memoryview_copy_from_slice(memoryview memview, __Pyx_memviewslice *memviewslice): # <<<<<<<<<<<<<< * """ * Create a new memoryview object from a given memoryview object and slice. */ static PyObject *__pyx_memoryview_copy_object_from_slice(struct __pyx_memoryview_obj *__pyx_v_memview, __Pyx_memviewslice *__pyx_v_memviewslice) { PyObject *(*__pyx_v_to_object_func)(char *); int (*__pyx_v_to_dtype_func)(char *, PyObject *); PyObject *__pyx_r = NULL; __Pyx_RefNannyDeclarations int __pyx_t_1; int __pyx_t_2; PyObject *(*__pyx_t_3)(char *); int (*__pyx_t_4)(char *, PyObject *); PyObject *__pyx_t_5 = NULL; int __pyx_lineno = 0; const char *__pyx_filename = NULL; int __pyx_clineno = 0; __Pyx_RefNannySetupContext("memoryview_copy_from_slice", 0); /* "View.MemoryView":1052 * cdef int (*to_dtype_func)(char *, object) except 0 * * if isinstance(memview, _memoryviewslice): # <<<<<<<<<<<<<< * to_object_func = (<_memoryviewslice> memview).to_object_func * to_dtype_func = (<_memoryviewslice> memview).to_dtype_func */ __pyx_t_1 = __Pyx_TypeCheck(((PyObject *)__pyx_v_memview), ((PyObject *)__pyx_memoryviewslice_type)); __pyx_t_2 = (__pyx_t_1 != 0); if (__pyx_t_2) { /* "View.MemoryView":1053 * * if isinstance(memview, _memoryviewslice): * to_object_func = (<_memoryviewslice> memview).to_object_func # <<<<<<<<<<<<<< * to_dtype_func = (<_memoryviewslice> memview).to_dtype_func * else: */ __pyx_t_3 = ((struct __pyx_memoryviewslice_obj *)__pyx_v_memview)->to_object_func; __pyx_v_to_object_func = __pyx_t_3; /* "View.MemoryView":1054 * if isinstance(memview, _memoryviewslice): * to_object_func = (<_memoryviewslice> memview).to_object_func * to_dtype_func = (<_memoryviewslice> memview).to_dtype_func # <<<<<<<<<<<<<< * else: * to_object_func = NULL */ __pyx_t_4 = ((struct __pyx_memoryviewslice_obj *)__pyx_v_memview)->to_dtype_func; __pyx_v_to_dtype_func = __pyx_t_4; goto __pyx_L3; } /*else*/ { /* "View.MemoryView":1056 * 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__pyx_f[2]; __pyx_lineno = 1059; __pyx_clineno = __LINE__; goto __pyx_L1_error;} __Pyx_GOTREF(__pyx_t_5); __pyx_r = __pyx_t_5; __pyx_t_5 = 0; goto __pyx_L0; __pyx_r = Py_None; __Pyx_INCREF(Py_None); goto __pyx_L0; __pyx_L1_error:; __Pyx_XDECREF(__pyx_t_5); __Pyx_AddTraceback("View.MemoryView.memoryview_copy_from_slice", __pyx_clineno, __pyx_lineno, __pyx_filename); __pyx_r = 0; __pyx_L0:; __Pyx_XGIVEREF(__pyx_r); __Pyx_RefNannyFinishContext(); return __pyx_r; } /* "View.MemoryView":1067 * * * cdef Py_ssize_t abs_py_ssize_t(Py_ssize_t arg) nogil: # <<<<<<<<<<<<<< * if arg < 0: * return -arg */ static Py_ssize_t abs_py_ssize_t(Py_ssize_t __pyx_v_arg) { Py_ssize_t __pyx_r; int __pyx_t_1; /* "View.MemoryView":1068 * * cdef Py_ssize_t abs_py_ssize_t(Py_ssize_t arg) nogil: * if arg < 0: # <<<<<<<<<<<<<< * return -arg * else: */ __pyx_t_1 = ((__pyx_v_arg < 0) != 0); if (__pyx_t_1) { /* "View.MemoryView":1069 * cdef Py_ssize_t abs_py_ssize_t(Py_ssize_t arg) nogil: * if arg < 0: * return -arg # <<<<<<<<<<<<<< * else: * return arg */ __pyx_r = (-__pyx_v_arg); goto __pyx_L0; goto __pyx_L3; } /*else*/ { /* "View.MemoryView":1071 * return -arg * else: * return arg # <<<<<<<<<<<<<< * * @cname('__pyx_get_best_slice_order') */ __pyx_r = __pyx_v_arg; goto __pyx_L0; } __pyx_L3:; __pyx_r = 0; __pyx_L0:; return __pyx_r; } /* "View.MemoryView":1074 * * @cname('__pyx_get_best_slice_order') * cdef char get_best_order(__Pyx_memviewslice *mslice, int ndim) nogil: # <<<<<<<<<<<<<< * """ * Figure out the best memory access order for a given slice. */ static char __pyx_get_best_slice_order(__Pyx_memviewslice *__pyx_v_mslice, int __pyx_v_ndim) { int __pyx_v_i; Py_ssize_t __pyx_v_c_stride; Py_ssize_t __pyx_v_f_stride; char __pyx_r; int __pyx_t_1; int __pyx_t_2; int __pyx_t_3; /* "View.MemoryView":1079 * """ * cdef int i * cdef Py_ssize_t c_stride = 0 # <<<<<<<<<<<<<< * cdef Py_ssize_t f_stride = 0 * */ __pyx_v_c_stride = 0; /* "View.MemoryView":1080 * cdef int i * cdef Py_ssize_t c_stride = 0 * cdef Py_ssize_t f_stride = 0 # <<<<<<<<<<<<<< * * for i in range(ndim - 1, -1, -1): */ __pyx_v_f_stride = 0; /* "View.MemoryView":1082 * cdef Py_ssize_t f_stride = 0 * * for i in range(ndim - 1, -1, -1): # <<<<<<<<<<<<<< * if mslice.shape[i] > 1: * c_stride = mslice.strides[i] */ for (__pyx_t_1 = (__pyx_v_ndim - 1); __pyx_t_1 > -1; __pyx_t_1-=1) { __pyx_v_i = __pyx_t_1; /* "View.MemoryView":1083 * * for i in range(ndim - 1, -1, -1): * if mslice.shape[i] > 1: # <<<<<<<<<<<<<< * c_stride = mslice.strides[i] * break */ __pyx_t_2 = (((__pyx_v_mslice->shape[__pyx_v_i]) > 1) != 0); if (__pyx_t_2) { /* "View.MemoryView":1084 * for i in range(ndim - 1, -1, -1): * if mslice.shape[i] > 1: * c_stride = mslice.strides[i] # <<<<<<<<<<<<<< * break * */ __pyx_v_c_stride = (__pyx_v_mslice->strides[__pyx_v_i]); /* "View.MemoryView":1085 * if mslice.shape[i] > 1: * c_stride = mslice.strides[i] * break # <<<<<<<<<<<<<< * * for i in range(ndim): */ goto __pyx_L4_break; goto __pyx_L5; } __pyx_L5:; } __pyx_L4_break:; /* "View.MemoryView":1087 * break * * for i in range(ndim): # <<<<<<<<<<<<<< * if mslice.shape[i] > 1: * f_stride = mslice.strides[i] */ __pyx_t_1 = __pyx_v_ndim; for (__pyx_t_3 = 0; __pyx_t_3 < __pyx_t_1; __pyx_t_3+=1) { __pyx_v_i = __pyx_t_3; /* "View.MemoryView":1088 * * for i in range(ndim): * if mslice.shape[i] > 1: # <<<<<<<<<<<<<< * f_stride = mslice.strides[i] * break */ __pyx_t_2 = (((__pyx_v_mslice->shape[__pyx_v_i]) > 1) != 0); if (__pyx_t_2) { /* "View.MemoryView":1089 * for i in range(ndim): * if mslice.shape[i] > 1: * f_stride = mslice.strides[i] # <<<<<<<<<<<<<< * break * */ __pyx_v_f_stride = (__pyx_v_mslice->strides[__pyx_v_i]); /* "View.MemoryView":1090 * if mslice.shape[i] > 1: * f_stride = mslice.strides[i] * break # <<<<<<<<<<<<<< * * if abs_py_ssize_t(c_stride) <= abs_py_ssize_t(f_stride): */ goto __pyx_L7_break; goto __pyx_L8; } __pyx_L8:; } __pyx_L7_break:; /* "View.MemoryView":1092 * break * * if abs_py_ssize_t(c_stride) <= abs_py_ssize_t(f_stride): # <<<<<<<<<<<<<< * return 'C' * else: */ __pyx_t_2 = ((abs_py_ssize_t(__pyx_v_c_stride) <= abs_py_ssize_t(__pyx_v_f_stride)) != 0); if (__pyx_t_2) { /* "View.MemoryView":1093 * * if abs_py_ssize_t(c_stride) <= abs_py_ssize_t(f_stride): * return 'C' # <<<<<<<<<<<<<< * else: * return 'F' */ __pyx_r = 'C'; goto __pyx_L0; goto __pyx_L9; } /*else*/ { /* "View.MemoryView":1095 * return 'C' * else: * return 'F' # <<<<<<<<<<<<<< * * @cython.cdivision(True) */ __pyx_r = 'F'; goto __pyx_L0; } __pyx_L9:; __pyx_r = 0; __pyx_L0:; return __pyx_r; } /* "View.MemoryView":1098 * * @cython.cdivision(True) * cdef void _copy_strided_to_strided(char *src_data, Py_ssize_t *src_strides, # <<<<<<<<<<<<<< * char *dst_data, Py_ssize_t *dst_strides, * Py_ssize_t *src_shape, Py_ssize_t *dst_shape, */ static void _copy_strided_to_strided(char *__pyx_v_src_data, Py_ssize_t *__pyx_v_src_strides, char *__pyx_v_dst_data, Py_ssize_t *__pyx_v_dst_strides, Py_ssize_t *__pyx_v_src_shape, Py_ssize_t *__pyx_v_dst_shape, int __pyx_v_ndim, size_t __pyx_v_itemsize) { CYTHON_UNUSED Py_ssize_t __pyx_v_i; CYTHON_UNUSED Py_ssize_t __pyx_v_src_extent; Py_ssize_t __pyx_v_dst_extent; Py_ssize_t __pyx_v_src_stride; Py_ssize_t __pyx_v_dst_stride; int __pyx_t_1; int __pyx_t_2; int __pyx_t_3; int __pyx_t_4; Py_ssize_t __pyx_t_5; Py_ssize_t __pyx_t_6; /* "View.MemoryView":1105 * * cdef Py_ssize_t i * cdef Py_ssize_t src_extent = src_shape[0] # <<<<<<<<<<<<<< * cdef Py_ssize_t dst_extent = dst_shape[0] * cdef Py_ssize_t src_stride = src_strides[0] */ __pyx_v_src_extent = (__pyx_v_src_shape[0]); /* "View.MemoryView":1106 * cdef Py_ssize_t i * cdef Py_ssize_t src_extent = src_shape[0] * cdef Py_ssize_t dst_extent = dst_shape[0] # <<<<<<<<<<<<<< * cdef Py_ssize_t src_stride = src_strides[0] * cdef Py_ssize_t dst_stride = dst_strides[0] */ __pyx_v_dst_extent = (__pyx_v_dst_shape[0]); /* "View.MemoryView":1107 * cdef Py_ssize_t src_extent = src_shape[0] * cdef Py_ssize_t dst_extent = dst_shape[0] * cdef Py_ssize_t src_stride = src_strides[0] # <<<<<<<<<<<<<< * cdef Py_ssize_t dst_stride = dst_strides[0] * */ __pyx_v_src_stride = (__pyx_v_src_strides[0]); /* "View.MemoryView":1108 * cdef Py_ssize_t dst_extent = dst_shape[0] * cdef Py_ssize_t src_stride = src_strides[0] * cdef Py_ssize_t dst_stride = dst_strides[0] # <<<<<<<<<<<<<< * * if ndim == 1: */ __pyx_v_dst_stride = (__pyx_v_dst_strides[0]); /* "View.MemoryView":1110 * cdef Py_ssize_t dst_stride = dst_strides[0] * * if ndim == 1: # <<<<<<<<<<<<<< * if (src_stride > 0 and dst_stride > 0 and * src_stride == itemsize == dst_stride): */ __pyx_t_1 = ((__pyx_v_ndim == 1) != 0); if (__pyx_t_1) { /* "View.MemoryView":1111 * * if ndim == 1: * if (src_stride > 0 and dst_stride > 0 and # <<<<<<<<<<<<<< * src_stride == itemsize == dst_stride): * memcpy(dst_data, src_data, itemsize * dst_extent) */ __pyx_t_1 = ((__pyx_v_src_stride > 0) != 0); if (__pyx_t_1) { __pyx_t_2 = ((__pyx_v_dst_stride > 0) != 0); if (__pyx_t_2) { /* "View.MemoryView":1112 * if ndim == 1: * if (src_stride > 0 and dst_stride > 0 and * src_stride == itemsize == dst_stride): # <<<<<<<<<<<<<< * memcpy(dst_data, src_data, itemsize * dst_extent) * else: */ __pyx_t_3 = (((size_t)__pyx_v_src_stride) == __pyx_v_itemsize); if (__pyx_t_3) { __pyx_t_3 = (__pyx_v_itemsize == ((size_t)__pyx_v_dst_stride)); } __pyx_t_4 = (__pyx_t_3 != 0); } else { __pyx_t_4 = __pyx_t_2; } __pyx_t_2 = __pyx_t_4; } else { __pyx_t_2 = __pyx_t_1; } if (__pyx_t_2) { /* "View.MemoryView":1113 * if (src_stride > 0 and dst_stride > 0 and * src_stride == itemsize == dst_stride): * memcpy(dst_data, src_data, itemsize * dst_extent) # <<<<<<<<<<<<<< * else: * for i in range(dst_extent): */ memcpy(__pyx_v_dst_data, __pyx_v_src_data, (__pyx_v_itemsize * __pyx_v_dst_extent)); goto __pyx_L4; } /*else*/ { /* "View.MemoryView":1115 * memcpy(dst_data, src_data, itemsize * dst_extent) * else: * for i in range(dst_extent): # <<<<<<<<<<<<<< * memcpy(dst_data, src_data, itemsize) * 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__pyx_t_6 = __pyx_memoryview_copy_data_to_temp((&__pyx_v_src), (&__pyx_v_tmp), __pyx_v_order, __pyx_v_ndim); if (unlikely(__pyx_t_6 == NULL)) {__pyx_filename = __pyx_f[2]; __pyx_lineno = 1266; __pyx_clineno = __LINE__; goto __pyx_L1_error;} __pyx_v_tmpdata = __pyx_t_6; /* "View.MemoryView":1267 * * tmpdata = copy_data_to_temp(&src, &tmp, order, ndim) * src = tmp # <<<<<<<<<<<<<< * * if not broadcasting: */ __pyx_v_src = __pyx_v_tmp; goto __pyx_L9; } __pyx_L9:; /* "View.MemoryView":1269 * src = tmp * * if not broadcasting: # <<<<<<<<<<<<<< * * */ __pyx_t_2 = ((!(__pyx_v_broadcasting != 0)) != 0); if (__pyx_t_2) { /* "View.MemoryView":1272 * * * if slice_is_contig(&src, 'C', ndim): # <<<<<<<<<<<<<< * direct_copy = slice_is_contig(&dst, 'C', ndim) * elif slice_is_contig(&src, 'F', ndim): */ __pyx_t_2 = (__pyx_memviewslice_is_contig((&__pyx_v_src), 'C', __pyx_v_ndim) != 0); if (__pyx_t_2) { /* "View.MemoryView":1273 * * if slice_is_contig(&src, 'C', ndim): * direct_copy = slice_is_contig(&dst, 'C', ndim) # <<<<<<<<<<<<<< * elif slice_is_contig(&src, 'F', ndim): * direct_copy = slice_is_contig(&dst, 'F', ndim) */ __pyx_v_direct_copy = __pyx_memviewslice_is_contig((&__pyx_v_dst), 'C', __pyx_v_ndim); goto __pyx_L12; } /* "View.MemoryView":1274 * if slice_is_contig(&src, 'C', ndim): * direct_copy = slice_is_contig(&dst, 'C', ndim) * elif slice_is_contig(&src, 'F', ndim): # <<<<<<<<<<<<<< * direct_copy = slice_is_contig(&dst, 'F', ndim) * */ __pyx_t_2 = (__pyx_memviewslice_is_contig((&__pyx_v_src), 'F', __pyx_v_ndim) != 0); if (__pyx_t_2) { /* "View.MemoryView":1275 * direct_copy = slice_is_contig(&dst, 'C', ndim) * elif slice_is_contig(&src, 'F', ndim): * direct_copy = slice_is_contig(&dst, 'F', ndim) # <<<<<<<<<<<<<< * * if direct_copy: */ __pyx_v_direct_copy = __pyx_memviewslice_is_contig((&__pyx_v_dst), 'F', __pyx_v_ndim); goto __pyx_L12; } __pyx_L12:; /* "View.MemoryView":1277 * direct_copy = slice_is_contig(&dst, 'F', ndim) * * if direct_copy: # 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return 0 * */ __pyx_memoryview_refcount_copying((&__pyx_v_dst), __pyx_v_dtype_is_object, __pyx_v_ndim, 1); /* "View.MemoryView":1282 * memcpy(dst.data, src.data, slice_get_size(&src, ndim)) * refcount_copying(&dst, dtype_is_object, ndim, True) * return 0 # <<<<<<<<<<<<<< * * if order == 'F' == get_best_order(&dst, ndim): */ __pyx_r = 0; goto __pyx_L0; goto __pyx_L13; } __pyx_L13:; goto __pyx_L11; } __pyx_L11:; /* "View.MemoryView":1284 * return 0 * * if order == 'F' == get_best_order(&dst, ndim): # <<<<<<<<<<<<<< * * */ __pyx_t_2 = (__pyx_v_order == 'F'); if (__pyx_t_2) { __pyx_t_2 = ('F' == __pyx_get_best_slice_order((&__pyx_v_dst), __pyx_v_ndim)); } __pyx_t_7 = (__pyx_t_2 != 0); if (__pyx_t_7) { /* "View.MemoryView":1287 * * * transpose_memslice(&src) # <<<<<<<<<<<<<< * transpose_memslice(&dst) * */ __pyx_t_5 = __pyx_memslice_transpose((&__pyx_v_src)); if (unlikely(__pyx_t_5 == 0)) {__pyx_filename = __pyx_f[2]; __pyx_lineno = 1287; __pyx_clineno = __LINE__; goto __pyx_L1_error;} /* 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/* "View.MemoryView":1298 * * @cname('__pyx_memoryview_broadcast_leading') * cdef void broadcast_leading(__Pyx_memviewslice *slice, # <<<<<<<<<<<<<< * int ndim, * int ndim_other) nogil: */ static void __pyx_memoryview_broadcast_leading(__Pyx_memviewslice *__pyx_v_slice, int __pyx_v_ndim, int __pyx_v_ndim_other) { int __pyx_v_i; int __pyx_v_offset; int __pyx_t_1; int __pyx_t_2; /* "View.MemoryView":1302 * int ndim_other) nogil: * cdef int i * cdef int offset = ndim_other - ndim # <<<<<<<<<<<<<< * * for i in range(ndim - 1, -1, -1): */ __pyx_v_offset = (__pyx_v_ndim_other - __pyx_v_ndim); /* "View.MemoryView":1304 * cdef int offset = ndim_other - ndim * * for i in range(ndim - 1, -1, -1): # <<<<<<<<<<<<<< * slice.shape[i + offset] = slice.shape[i] * slice.strides[i + offset] = slice.strides[i] */ for (__pyx_t_1 = (__pyx_v_ndim - 1); __pyx_t_1 > -1; __pyx_t_1-=1) { __pyx_v_i = __pyx_t_1; /* "View.MemoryView":1305 * * for i in range(ndim - 1, -1, -1): * slice.shape[i + offset] = 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static void __pyx_memoryview_refcount_objects_in_slice_with_gil(char *__pyx_v_data, Py_ssize_t *__pyx_v_shape, Py_ssize_t *__pyx_v_strides, int __pyx_v_ndim, int __pyx_v_inc) { __Pyx_RefNannyDeclarations #ifdef WITH_THREAD PyGILState_STATE __pyx_gilstate_save = PyGILState_Ensure(); #endif __Pyx_RefNannySetupContext("refcount_objects_in_slice_with_gil", 0); /* "View.MemoryView":1332 * Py_ssize_t *strides, int ndim, * bint inc) with gil: * refcount_objects_in_slice(data, shape, strides, ndim, inc) # <<<<<<<<<<<<<< * * @cname('__pyx_memoryview_refcount_objects_in_slice') */ __pyx_memoryview_refcount_objects_in_slice(__pyx_v_data, __pyx_v_shape, __pyx_v_strides, __pyx_v_ndim, __pyx_v_inc); __Pyx_RefNannyFinishContext(); #ifdef WITH_THREAD PyGILState_Release(__pyx_gilstate_save); #endif } /* "View.MemoryView":1335 * * @cname('__pyx_memoryview_refcount_objects_in_slice') * cdef void refcount_objects_in_slice(char *data, Py_ssize_t *shape, # <<<<<<<<<<<<<< * Py_ssize_t *strides, int ndim, bint inc): * cdef Py_ssize_t i */ static void __pyx_memoryview_refcount_objects_in_slice(char *__pyx_v_data, Py_ssize_t *__pyx_v_shape, Py_ssize_t *__pyx_v_strides, int __pyx_v_ndim, int __pyx_v_inc) { CYTHON_UNUSED Py_ssize_t __pyx_v_i; __Pyx_RefNannyDeclarations Py_ssize_t __pyx_t_1; Py_ssize_t __pyx_t_2; int __pyx_t_3; __Pyx_RefNannySetupContext("refcount_objects_in_slice", 0); /* "View.MemoryView":1339 * cdef Py_ssize_t i * * for i in range(shape[0]): # <<<<<<<<<<<<<< * if ndim == 1: * if inc: */ __pyx_t_1 = (__pyx_v_shape[0]); for (__pyx_t_2 = 0; __pyx_t_2 < __pyx_t_1; __pyx_t_2+=1) { __pyx_v_i = __pyx_t_2; /* "View.MemoryView":1340 * * for i in range(shape[0]): * if ndim == 1: # <<<<<<<<<<<<<< * if inc: * Py_INCREF(( data)[0]) */ __pyx_t_3 = ((__pyx_v_ndim == 1) != 0); if (__pyx_t_3) { /* "View.MemoryView":1341 * for i in range(shape[0]): * if ndim == 1: * if inc: # <<<<<<<<<<<<<< * Py_INCREF(( data)[0]) * else: */ __pyx_t_3 = (__pyx_v_inc != 0); if (__pyx_t_3) { /* 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__pyx_v_dst->shape, __pyx_v_dst->strides, __pyx_v_ndim, __pyx_v_itemsize, __pyx_v_item); /* "View.MemoryView":1361 * _slice_assign_scalar(dst.data, dst.shape, dst.strides, ndim, * itemsize, item) * refcount_copying(dst, dtype_is_object, ndim, True) # <<<<<<<<<<<<<< * * */ __pyx_memoryview_refcount_copying(__pyx_v_dst, __pyx_v_dtype_is_object, __pyx_v_ndim, 1); } /* "View.MemoryView":1365 * * @cname('__pyx_memoryview__slice_assign_scalar') * cdef void _slice_assign_scalar(char *data, Py_ssize_t *shape, # <<<<<<<<<<<<<< * Py_ssize_t *strides, int ndim, * size_t itemsize, void *item) nogil: */ static void __pyx_memoryview__slice_assign_scalar(char *__pyx_v_data, Py_ssize_t *__pyx_v_shape, Py_ssize_t *__pyx_v_strides, int __pyx_v_ndim, size_t __pyx_v_itemsize, void *__pyx_v_item) { CYTHON_UNUSED Py_ssize_t __pyx_v_i; Py_ssize_t __pyx_v_stride; Py_ssize_t __pyx_v_extent; int __pyx_t_1; Py_ssize_t __pyx_t_2; Py_ssize_t __pyx_t_3; /* "View.MemoryView":1369 * size_t itemsize, void *item) nogil: * cdef Py_ssize_t i * cdef Py_ssize_t stride = strides[0] # <<<<<<<<<<<<<< * cdef Py_ssize_t extent = shape[0] * */ __pyx_v_stride = (__pyx_v_strides[0]); /* "View.MemoryView":1370 * cdef Py_ssize_t i * cdef Py_ssize_t stride = strides[0] * cdef Py_ssize_t extent = shape[0] # <<<<<<<<<<<<<< * * if ndim == 1: */ __pyx_v_extent = (__pyx_v_shape[0]); /* "View.MemoryView":1372 * cdef Py_ssize_t extent = shape[0] * * if ndim == 1: # <<<<<<<<<<<<<< * for i in range(extent): * memcpy(data, item, itemsize) */ __pyx_t_1 = ((__pyx_v_ndim == 1) != 0); if (__pyx_t_1) { /* "View.MemoryView":1373 * * if ndim == 1: * for i in range(extent): # <<<<<<<<<<<<<< * memcpy(data, item, itemsize) * data += stride */ __pyx_t_2 = __pyx_v_extent; for (__pyx_t_3 = 0; __pyx_t_3 < __pyx_t_2; __pyx_t_3+=1) { __pyx_v_i = __pyx_t_3; /* "View.MemoryView":1374 * if ndim == 1: * for i in range(extent): * memcpy(data, item, itemsize) # <<<<<<<<<<<<<< * data += stride * else: */ memcpy(__pyx_v_data, __pyx_v_item, __pyx_v_itemsize); /* "View.MemoryView":1375 * for i in range(extent): * memcpy(data, item, itemsize) * data += stride # <<<<<<<<<<<<<< * else: * for i in range(extent): */ __pyx_v_data = (__pyx_v_data + __pyx_v_stride); } goto __pyx_L3; } /*else*/ { /* "View.MemoryView":1377 * data += stride * else: * for i in range(extent): # <<<<<<<<<<<<<< * _slice_assign_scalar(data, shape + 1, strides + 1, * ndim - 1, itemsize, item) */ __pyx_t_2 = __pyx_v_extent; for (__pyx_t_3 = 0; __pyx_t_3 < __pyx_t_2; __pyx_t_3+=1) { __pyx_v_i = __pyx_t_3; /* "View.MemoryView":1379 * for i in range(extent): * _slice_assign_scalar(data, shape + 1, strides + 1, * ndim - 1, itemsize, item) # <<<<<<<<<<<<<< * data += stride * */ __pyx_memoryview__slice_assign_scalar(__pyx_v_data, (__pyx_v_shape + 1), (__pyx_v_strides + 1), (__pyx_v_ndim - 1), __pyx_v_itemsize, __pyx_v_item); /* "View.MemoryView":1380 * _slice_assign_scalar(data, shape + 1, strides + 1, * ndim - 1, itemsize, item) * data += stride # <<<<<<<<<<<<<< * * */ __pyx_v_data = (__pyx_v_data + __pyx_v_stride); } } __pyx_L3:; } static struct __pyx_vtabstruct_memoryview __pyx_vtable_memoryview; static PyObject *__pyx_tp_new_memoryview(PyTypeObject *t, PyObject *a, PyObject *k) { struct __pyx_memoryview_obj *p; PyObject *o; o = (*t->tp_alloc)(t, 0); if (unlikely(!o)) return 0; p = ((struct __pyx_memoryview_obj *)o); p->__pyx_vtab = __pyx_vtabptr_memoryview; p->obj = Py_None; Py_INCREF(Py_None); p->_size = Py_None; Py_INCREF(Py_None); p->_array_interface = Py_None; Py_INCREF(Py_None); p->view.obj = NULL; if (unlikely(__pyx_memoryview___cinit__(o, a, k) < 0)) { Py_DECREF(o); o = 0; } return o; } static void __pyx_tp_dealloc_memoryview(PyObject *o) { struct __pyx_memoryview_obj *p = (struct __pyx_memoryview_obj *)o; PyObject_GC_UnTrack(o); { PyObject *etype, *eval, *etb; PyErr_Fetch(&etype, &eval, &etb); ++Py_REFCNT(o); __pyx_memoryview___dealloc__(o); if (PyErr_Occurred()) PyErr_WriteUnraisable(o); --Py_REFCNT(o); PyErr_Restore(etype, eval, etb); } Py_CLEAR(p->obj); Py_CLEAR(p->_size); Py_CLEAR(p->_array_interface); (*Py_TYPE(o)->tp_free)(o); } static int __pyx_tp_traverse_memoryview(PyObject *o, visitproc v, void *a) { int e; struct __pyx_memoryview_obj *p = (struct __pyx_memoryview_obj *)o; if (p->obj) { e = (*v)(p->obj, a); if (e) return e; } if (p->_size) { e = (*v)(p->_size, a); if (e) return e; } if (p->_array_interface) { e = (*v)(p->_array_interface, a); if (e) return e; } if (p->view.obj) { e = (*v)(p->view.obj, a); if (e) return e; } return 0; } static int __pyx_tp_clear_memoryview(PyObject *o) { struct __pyx_memoryview_obj *p = (struct __pyx_memoryview_obj *)o; PyObject* tmp; tmp = ((PyObject*)p->obj); p->obj = Py_None; Py_INCREF(Py_None); Py_XDECREF(tmp); tmp = ((PyObject*)p->_size); p->_size = Py_None; Py_INCREF(Py_None); Py_XDECREF(tmp); tmp = ((PyObject*)p->_array_interface); p->_array_interface = Py_None; Py_INCREF(Py_None); Py_XDECREF(tmp); Py_CLEAR(p->view.obj); return 0; } static PyObject *__pyx_sq_item_memoryview(PyObject *o, Py_ssize_t i) { PyObject *r; PyObject *x = PyInt_FromSsize_t(i); if(!x) return 0; r = Py_TYPE(o)->tp_as_mapping->mp_subscript(o, x); Py_DECREF(x); return r; } static int __pyx_mp_ass_subscript_memoryview(PyObject *o, PyObject *i, PyObject *v) { if (v) { return __pyx_memoryview___setitem__(o, i, v); } else { PyErr_Format(PyExc_NotImplementedError, "Subscript deletion not supported by %s", Py_TYPE(o)->tp_name); return -1; } } static PyObject *__pyx_getprop___pyx_memoryview_T(PyObject *o, CYTHON_UNUSED void *x) { return __pyx_memoryview_transpose(o); } static PyObject *__pyx_getprop___pyx_memoryview_base(PyObject *o, CYTHON_UNUSED void *x) { return __pyx_memoryview__get__base(o); } static PyObject *__pyx_getprop___pyx_memoryview_shape(PyObject *o, CYTHON_UNUSED void *x) { return __pyx_memoryview_get_shape(o); } static PyObject *__pyx_getprop___pyx_memoryview_strides(PyObject *o, CYTHON_UNUSED void *x) { return __pyx_memoryview_get_strides(o); } static PyObject *__pyx_getprop___pyx_memoryview_suboffsets(PyObject *o, CYTHON_UNUSED void *x) { return __pyx_memoryview_get_suboffsets(o); } static PyObject *__pyx_getprop___pyx_memoryview_ndim(PyObject *o, CYTHON_UNUSED void *x) { return __pyx_memoryview_get_ndim(o); } static PyObject *__pyx_getprop___pyx_memoryview_itemsize(PyObject *o, CYTHON_UNUSED void *x) { return __pyx_memoryview_get_itemsize(o); } static PyObject *__pyx_getprop___pyx_memoryview_nbytes(PyObject *o, CYTHON_UNUSED void *x) { return __pyx_memoryview_get_nbytes(o); } static PyObject *__pyx_getprop___pyx_memoryview_size(PyObject *o, CYTHON_UNUSED void *x) { return __pyx_memoryview_get_size(o); } static PyMethodDef __pyx_methods_memoryview[] = { {__Pyx_NAMESTR("is_c_contig"), (PyCFunction)__pyx_memoryview_is_c_contig, METH_NOARGS, __Pyx_DOCSTR(0)}, {__Pyx_NAMESTR("is_f_contig"), (PyCFunction)__pyx_memoryview_is_f_contig, METH_NOARGS, __Pyx_DOCSTR(0)}, {__Pyx_NAMESTR("copy"), (PyCFunction)__pyx_memoryview_copy, 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__Pyx_GOTREF(__pyx_k_tuple_34); __Pyx_GIVEREF(((PyObject *)__pyx_k_tuple_34)); /* "View.MemoryView":452 * result = struct.unpack(self.view.format, bytesitem) * except struct.error: * raise ValueError("Unable to convert item to object") # <<<<<<<<<<<<<< * else: * if len(self.view.format) == 1: */ __pyx_k_tuple_36 = PyTuple_Pack(1, ((PyObject *)__pyx_kp_s_35)); if (unlikely(!__pyx_k_tuple_36)) {__pyx_filename = __pyx_f[2]; __pyx_lineno = 452; __pyx_clineno = __LINE__; goto __pyx_L1_error;} __Pyx_GOTREF(__pyx_k_tuple_36); __Pyx_GIVEREF(((PyObject *)__pyx_k_tuple_36)); /* "View.MemoryView":528 * if self.view.strides == NULL: * * raise ValueError("Buffer view does not expose strides") # <<<<<<<<<<<<<< * * return tuple([self.view.strides[i] for i in xrange(self.view.ndim)]) */ __pyx_k_tuple_38 = PyTuple_Pack(1, ((PyObject *)__pyx_kp_s_37)); if (unlikely(!__pyx_k_tuple_38)) {__pyx_filename = __pyx_f[2]; __pyx_lineno = 528; __pyx_clineno = __LINE__; goto __pyx_L1_error;} __Pyx_GOTREF(__pyx_k_tuple_38); __Pyx_GIVEREF(((PyObject *)__pyx_k_tuple_38)); /* "View.MemoryView":643 * if item is Ellipsis: * if not seen_ellipsis: * result.extend([slice(None)] * (ndim - len(tup) + 1)) # <<<<<<<<<<<<<< * seen_ellipsis = True * else: */ __pyx_k_tuple_41 = PyTuple_Pack(1, Py_None); if (unlikely(!__pyx_k_tuple_41)) {__pyx_filename = __pyx_f[2]; __pyx_lineno = 643; __pyx_clineno = __LINE__; goto __pyx_L1_error;} __Pyx_GOTREF(__pyx_k_tuple_41); __Pyx_GIVEREF(((PyObject *)__pyx_k_tuple_41)); /* "View.MemoryView":646 * seen_ellipsis = True * else: * result.append(slice(None)) # <<<<<<<<<<<<<< * have_slices = True * else: */ __pyx_k_tuple_42 = PyTuple_Pack(1, Py_None); if (unlikely(!__pyx_k_tuple_42)) {__pyx_filename = __pyx_f[2]; __pyx_lineno = 646; __pyx_clineno = __LINE__; goto __pyx_L1_error;} __Pyx_GOTREF(__pyx_k_tuple_42); __Pyx_GIVEREF(((PyObject *)__pyx_k_tuple_42)); /* "View.MemoryView":657 * nslices = ndim - len(result) * if nslices: * result.extend([slice(None)] 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int i = 0, number; int ndim = ctx->head->field->type->ndim; ; ++ts; if (ctx->new_count != 1) { PyErr_SetString(PyExc_ValueError, "Cannot handle repeated arrays in format string"); return NULL; } if (__Pyx_BufFmt_ProcessTypeChunk(ctx) == -1) return NULL; while (*ts && *ts != ')') { if (isspace(*ts)) continue; number = __Pyx_BufFmt_ExpectNumber(&ts); if (number == -1) return NULL; if (i < ndim && (size_t) number != ctx->head->field->type->arraysize[i]) return PyErr_Format(PyExc_ValueError, "Expected a dimension of size %zu, got %d", ctx->head->field->type->arraysize[i], number); if (*ts != ',' && *ts != ')') return PyErr_Format(PyExc_ValueError, "Expected a comma in format string, got '%c'", *ts); if (*ts == ',') ts++; i++; } if (i != ndim) return PyErr_Format(PyExc_ValueError, "Expected %d dimension(s), got %d", ctx->head->field->type->ndim, i); if (!*ts) { PyErr_SetString(PyExc_ValueError, "Unexpected end of format string, expected ')'"); return NULL; } ctx->is_valid_array = 1; ctx->new_count = 1; *tsp = ++ts; return Py_None; } static const char* __Pyx_BufFmt_CheckString(__Pyx_BufFmt_Context* ctx, const char* ts) { int got_Z = 0; while (1) { switch(*ts) { case 0: if (ctx->enc_type != 0 && ctx->head == NULL) { __Pyx_BufFmt_RaiseExpected(ctx); return NULL; } if (__Pyx_BufFmt_ProcessTypeChunk(ctx) == -1) return NULL; if (ctx->head != NULL) { __Pyx_BufFmt_RaiseExpected(ctx); return NULL; } return ts; case ' ': case 10: case 13: ++ts; break; case '<': if (!__Pyx_IsLittleEndian()) { PyErr_SetString(PyExc_ValueError, "Little-endian buffer not supported on big-endian compiler"); return NULL; } ctx->new_packmode = '='; ++ts; break; case '>': case '!': if (__Pyx_IsLittleEndian()) { PyErr_SetString(PyExc_ValueError, "Big-endian buffer not supported on little-endian compiler"); return NULL; } ctx->new_packmode = '='; ++ts; break; case '=': case '@': case '^': ctx->new_packmode = *ts++; break; case 'T': /* substruct */ { const char* ts_after_sub; size_t i, struct_count = ctx->new_count; size_t struct_alignment = ctx->struct_alignment; ctx->new_count = 1; ++ts; if (*ts != '{') { PyErr_SetString(PyExc_ValueError, "Buffer acquisition: Expected '{' after 'T'"); return NULL; } if (__Pyx_BufFmt_ProcessTypeChunk(ctx) == -1) return NULL; ctx->enc_type = 0; /* Erase processed last struct element */ ctx->enc_count = 0; ctx->struct_alignment = 0; ++ts; ts_after_sub = ts; for (i = 0; i != struct_count; ++i) { ts_after_sub = __Pyx_BufFmt_CheckString(ctx, ts); if (!ts_after_sub) return NULL; } ts = ts_after_sub; if (struct_alignment) ctx->struct_alignment = struct_alignment; } break; case '}': /* end of substruct; either repeat or move on */ { size_t alignment = ctx->struct_alignment; ++ts; if (__Pyx_BufFmt_ProcessTypeChunk(ctx) == -1) return NULL; ctx->enc_type = 0; /* Erase processed last struct element */ if (alignment && ctx->fmt_offset % alignment) { ctx->fmt_offset += alignment - (ctx->fmt_offset % alignment); } } return ts; case 'x': if (__Pyx_BufFmt_ProcessTypeChunk(ctx) == -1) return NULL; ctx->fmt_offset += ctx->new_count; ctx->new_count = 1; ctx->enc_count = 0; ctx->enc_type = 0; ctx->enc_packmode = ctx->new_packmode; ++ts; break; case 'Z': got_Z = 1; ++ts; if (*ts != 'f' && *ts != 'd' && *ts != 'g') { __Pyx_BufFmt_RaiseUnexpectedChar('Z'); return NULL; } /* fall through */ case 'c': case 'b': case 'B': case 'h': case 'H': case 'i': case 'I': case 'l': case 'L': case 'q': case 'Q': case 'f': case 'd': case 'g': case 'O': case 's': case 'p': if (ctx->enc_type == *ts && got_Z == ctx->is_complex && ctx->enc_packmode == ctx->new_packmode) { ctx->enc_count += ctx->new_count; } else { if (__Pyx_BufFmt_ProcessTypeChunk(ctx) == -1) return NULL; ctx->enc_count = ctx->new_count; ctx->enc_packmode = ctx->new_packmode; ctx->enc_type = *ts; ctx->is_complex = got_Z; } ++ts; ctx->new_count = 1; got_Z = 0; break; case ':': ++ts; while(*ts != ':') ++ts; ++ts; break; case '(': if (!__pyx_buffmt_parse_array(ctx, &ts)) return NULL; break; default: { int number = __Pyx_BufFmt_ExpectNumber(&ts); if (number == -1) return NULL; ctx->new_count = (size_t)number; } } } } static CYTHON_INLINE void __Pyx_ZeroBuffer(Py_buffer* buf) { buf->buf = NULL; buf->obj = NULL; buf->strides = __Pyx_zeros; buf->shape = __Pyx_zeros; buf->suboffsets = __Pyx_minusones; } static CYTHON_INLINE int __Pyx_GetBufferAndValidate( Py_buffer* buf, PyObject* obj, __Pyx_TypeInfo* dtype, int flags, int nd, int cast, __Pyx_BufFmt_StackElem* stack) { if (obj == Py_None || obj == NULL) { __Pyx_ZeroBuffer(buf); return 0; } buf->buf = NULL; if (__Pyx_GetBuffer(obj, buf, flags) == -1) goto fail; if (buf->ndim != nd) { PyErr_Format(PyExc_ValueError, "Buffer has wrong number of dimensions (expected %d, got %d)", nd, buf->ndim); goto fail; } if (!cast) { __Pyx_BufFmt_Context ctx; __Pyx_BufFmt_Init(&ctx, stack, dtype); if (!__Pyx_BufFmt_CheckString(&ctx, buf->format)) goto fail; } if ((unsigned)buf->itemsize != dtype->size) { PyErr_Format(PyExc_ValueError, "Item size of buffer (%" CYTHON_FORMAT_SSIZE_T "d byte%s) does not match size of '%s' (%" CYTHON_FORMAT_SSIZE_T "d byte%s)", buf->itemsize, (buf->itemsize > 1) ? "s" : "", dtype->name, (Py_ssize_t)dtype->size, (dtype->size > 1) ? "s" : ""); goto fail; } if (buf->suboffsets == NULL) buf->suboffsets = __Pyx_minusones; return 0; fail:; __Pyx_ZeroBuffer(buf); return -1; } static CYTHON_INLINE void __Pyx_SafeReleaseBuffer(Py_buffer* info) { if (info->buf == NULL) return; if (info->suboffsets == __Pyx_minusones) info->suboffsets = NULL; __Pyx_ReleaseBuffer(info); } static int __Pyx_init_memviewslice(struct __pyx_memoryview_obj *memview, int ndim, __Pyx_memviewslice *memviewslice, int memview_is_new_reference) { __Pyx_RefNannyDeclarations int i, retval=-1; Py_buffer *buf = &memview->view; __Pyx_RefNannySetupContext("init_memviewslice", 0); if (!buf) { PyErr_SetString(PyExc_ValueError, "buf is NULL."); goto fail; } else if (memviewslice->memview || memviewslice->data) { PyErr_SetString(PyExc_ValueError, "memviewslice is already initialized!"); goto fail; } if (buf->strides) { for (i = 0; i < ndim; i++) { memviewslice->strides[i] = buf->strides[i]; } } else { Py_ssize_t stride = buf->itemsize; for (i = ndim - 1; i >= 0; i--) { memviewslice->strides[i] = stride; stride *= buf->shape[i]; } } for (i = 0; i < ndim; i++) { memviewslice->shape[i] = buf->shape[i]; if (buf->suboffsets) { memviewslice->suboffsets[i] = buf->suboffsets[i]; } else { memviewslice->suboffsets[i] = -1; } } memviewslice->memview = memview; memviewslice->data = (char *)buf->buf; if (__pyx_add_acquisition_count(memview) == 0 && !memview_is_new_reference) { Py_INCREF(memview); } retval = 0; goto no_fail; fail: memviewslice->memview = 0; memviewslice->data = 0; retval = -1; no_fail: __Pyx_RefNannyFinishContext(); return retval; } static CYTHON_INLINE void __pyx_fatalerror(const char *fmt, ...) { va_list vargs; char msg[200]; va_start(vargs, fmt); #ifdef HAVE_STDARG_PROTOTYPES va_start(vargs, fmt); #else va_start(vargs); #endif vsnprintf(msg, 200, fmt, vargs); Py_FatalError(msg); va_end(vargs); } static CYTHON_INLINE int __pyx_add_acquisition_count_locked(__pyx_atomic_int *acquisition_count, PyThread_type_lock lock) { int result; PyThread_acquire_lock(lock, 1); result = (*acquisition_count)++; PyThread_release_lock(lock); return result; } static CYTHON_INLINE int __pyx_sub_acquisition_count_locked(__pyx_atomic_int *acquisition_count, PyThread_type_lock lock) { int result; PyThread_acquire_lock(lock, 1); result = (*acquisition_count)--; PyThread_release_lock(lock); return result; } static CYTHON_INLINE void __Pyx_INC_MEMVIEW(__Pyx_memviewslice *memslice, int have_gil, int lineno) { int first_time; struct __pyx_memoryview_obj *memview = memslice->memview; if (!memview || (PyObject *) memview == Py_None) return; /* allow uninitialized memoryview assignment */ if (__pyx_get_slice_count(memview) < 0) __pyx_fatalerror("Acquisition count is %d (line %d)", __pyx_get_slice_count(memview), lineno); first_time = __pyx_add_acquisition_count(memview) == 0; if (first_time) { if (have_gil) { Py_INCREF((PyObject *) memview); } else { PyGILState_STATE _gilstate = PyGILState_Ensure(); Py_INCREF((PyObject *) memview); PyGILState_Release(_gilstate); } } } static CYTHON_INLINE void __Pyx_XDEC_MEMVIEW(__Pyx_memviewslice *memslice, int have_gil, int lineno) { int last_time; struct __pyx_memoryview_obj *memview = memslice->memview; if (!memview ) { return; } else if ((PyObject *) memview == Py_None) { memslice->memview = NULL; return; } if (__pyx_get_slice_count(memview) <= 0) __pyx_fatalerror("Acquisition count is %d (line %d)", __pyx_get_slice_count(memview), lineno); last_time = __pyx_sub_acquisition_count(memview) == 1; memslice->data = NULL; if (last_time) { if (have_gil) { Py_CLEAR(memslice->memview); } else { PyGILState_STATE _gilstate = PyGILState_Ensure(); Py_CLEAR(memslice->memview); PyGILState_Release(_gilstate); } } else { memslice->memview = NULL; } } static void __Pyx_RaiseArgtupleInvalid( const char* func_name, int exact, Py_ssize_t num_min, Py_ssize_t num_max, Py_ssize_t num_found) { Py_ssize_t num_expected; const char *more_or_less; if (num_found < num_min) { num_expected = num_min; more_or_less = "at least"; } else { num_expected = num_max; more_or_less = "at most"; } if (exact) { more_or_less = "exactly"; } PyErr_Format(PyExc_TypeError, "%s() takes %s %" CYTHON_FORMAT_SSIZE_T "d positional argument%s (%" CYTHON_FORMAT_SSIZE_T "d given)", func_name, more_or_less, num_expected, (num_expected == 1) ? "" : "s", num_found); } static void __Pyx_RaiseDoubleKeywordsError( const char* func_name, PyObject* kw_name) { PyErr_Format(PyExc_TypeError, #if PY_MAJOR_VERSION >= 3 "%s() got multiple values for keyword argument '%U'", func_name, kw_name); #else "%s() got multiple values for keyword argument '%s'", func_name, PyString_AsString(kw_name)); #endif } static int __Pyx_ParseOptionalKeywords( PyObject *kwds, PyObject **argnames[], PyObject *kwds2, PyObject *values[], Py_ssize_t num_pos_args, const char* function_name) { PyObject *key = 0, *value = 0; Py_ssize_t pos = 0; PyObject*** name; PyObject*** first_kw_arg = argnames + num_pos_args; while (PyDict_Next(kwds, &pos, &key, &value)) { name = first_kw_arg; while (*name && (**name != key)) name++; if (*name) { values[name-argnames] = value; continue; } name = first_kw_arg; #if PY_MAJOR_VERSION < 3 if (likely(PyString_CheckExact(key)) || likely(PyString_Check(key))) { while (*name) { if ((CYTHON_COMPILING_IN_PYPY || PyString_GET_SIZE(**name) == PyString_GET_SIZE(key)) && _PyString_Eq(**name, key)) { values[name-argnames] = value; break; } name++; } if (*name) continue; else { PyObject*** argname = argnames; while (argname != first_kw_arg) { if ((**argname == key) || ( (CYTHON_COMPILING_IN_PYPY || PyString_GET_SIZE(**argname) == PyString_GET_SIZE(key)) && _PyString_Eq(**argname, key))) { goto arg_passed_twice; } argname++; } } } else #endif if (likely(PyUnicode_Check(key))) { while (*name) { int cmp = (**name == key) ? 0 : #if !CYTHON_COMPILING_IN_PYPY && PY_MAJOR_VERSION >= 3 (PyUnicode_GET_SIZE(**name) != PyUnicode_GET_SIZE(key)) ? 1 : #endif PyUnicode_Compare(**name, key); if (cmp < 0 && unlikely(PyErr_Occurred())) goto bad; if (cmp == 0) { values[name-argnames] = value; break; } name++; } if (*name) continue; else { PyObject*** argname = argnames; while (argname != first_kw_arg) { int cmp = (**argname == key) ? 0 : #if !CYTHON_COMPILING_IN_PYPY && PY_MAJOR_VERSION >= 3 (PyUnicode_GET_SIZE(**argname) != PyUnicode_GET_SIZE(key)) ? 1 : #endif PyUnicode_Compare(**argname, key); if (cmp < 0 && unlikely(PyErr_Occurred())) goto bad; if (cmp == 0) goto arg_passed_twice; argname++; } } } else goto invalid_keyword_type; if (kwds2) { if (unlikely(PyDict_SetItem(kwds2, key, value))) goto bad; } else { goto invalid_keyword; } } return 0; arg_passed_twice: __Pyx_RaiseDoubleKeywordsError(function_name, key); goto bad; invalid_keyword_type: PyErr_Format(PyExc_TypeError, "%s() keywords must be strings", function_name); goto bad; invalid_keyword: PyErr_Format(PyExc_TypeError, #if PY_MAJOR_VERSION < 3 "%s() got an unexpected keyword argument '%s'", function_name, PyString_AsString(key)); #else "%s() got an unexpected keyword argument '%U'", function_name, key); #endif bad: return -1; } static CYTHON_INLINE int __Pyx_TypeTest(PyObject *obj, PyTypeObject *type) { if (unlikely(!type)) { PyErr_Format(PyExc_SystemError, "Missing type object"); return 0; } if (likely(PyObject_TypeCheck(obj, type))) return 1; PyErr_Format(PyExc_TypeError, "Cannot convert %.200s to %.200s", Py_TYPE(obj)->tp_name, type->tp_name); return 0; } static CYTHON_INLINE int __Pyx_SetItemInt_Generic(PyObject *o, PyObject *j, PyObject *v) { int r; if (!j) return -1; r = PyObject_SetItem(o, j, v); Py_DECREF(j); return r; } static CYTHON_INLINE int __Pyx_SetItemInt_Fast(PyObject *o, Py_ssize_t i, PyObject *v, int is_list, int wraparound, int boundscheck) { #if CYTHON_COMPILING_IN_CPYTHON if (is_list || PyList_CheckExact(o)) { Py_ssize_t n = (!wraparound) ? i : ((likely(i >= 0)) ? i : i + PyList_GET_SIZE(o)); if ((!boundscheck) || likely((n >= 0) & (n < PyList_GET_SIZE(o)))) { PyObject* old = PyList_GET_ITEM(o, n); Py_INCREF(v); PyList_SET_ITEM(o, n, v); Py_DECREF(old); return 1; } } else { PySequenceMethods *m = Py_TYPE(o)->tp_as_sequence; if (likely(m && m->sq_ass_item)) { if (wraparound && unlikely(i < 0) && likely(m->sq_length)) { Py_ssize_t l = m->sq_length(o); if (likely(l >= 0)) { i += l; } else { if (PyErr_ExceptionMatches(PyExc_OverflowError)) PyErr_Clear(); else return -1; } } return m->sq_ass_item(o, i, v); } } #else #if CYTHON_COMPILING_IN_PYPY if (is_list || (PySequence_Check(o) && !PyDict_Check(o))) { #else if (is_list || PySequence_Check(o)) { #endif return PySequence_SetItem(o, i, v); } #endif return __Pyx_SetItemInt_Generic(o, PyInt_FromSsize_t(i), v); } static CYTHON_INLINE PyObject *__Pyx_GetItemInt_Generic(PyObject *o, PyObject* j) { PyObject *r; if (!j) return NULL; r = PyObject_GetItem(o, j); Py_DECREF(j); return r; } static CYTHON_INLINE PyObject *__Pyx_GetItemInt_List_Fast(PyObject *o, Py_ssize_t i, int wraparound, int boundscheck) { #if CYTHON_COMPILING_IN_CPYTHON if (wraparound & unlikely(i < 0)) i += PyList_GET_SIZE(o); if ((!boundscheck) || likely((0 <= i) & (i < PyList_GET_SIZE(o)))) { PyObject *r = PyList_GET_ITEM(o, i); Py_INCREF(r); return r; } return __Pyx_GetItemInt_Generic(o, PyInt_FromSsize_t(i)); #else return PySequence_GetItem(o, i); #endif } static CYTHON_INLINE PyObject *__Pyx_GetItemInt_Tuple_Fast(PyObject *o, Py_ssize_t i, int wraparound, int boundscheck) { #if CYTHON_COMPILING_IN_CPYTHON if (wraparound & unlikely(i < 0)) i += PyTuple_GET_SIZE(o); if ((!boundscheck) || likely((0 <= i) & (i < PyTuple_GET_SIZE(o)))) { PyObject *r = PyTuple_GET_ITEM(o, i); Py_INCREF(r); return r; } return __Pyx_GetItemInt_Generic(o, PyInt_FromSsize_t(i)); #else return PySequence_GetItem(o, i); #endif } static CYTHON_INLINE PyObject *__Pyx_GetItemInt_Fast(PyObject *o, Py_ssize_t i, int is_list, int wraparound, int boundscheck) { #if CYTHON_COMPILING_IN_CPYTHON if (is_list || PyList_CheckExact(o)) { Py_ssize_t n = ((!wraparound) | likely(i >= 0)) ? i : i + PyList_GET_SIZE(o); if ((!boundscheck) || (likely((n >= 0) & (n < PyList_GET_SIZE(o))))) { PyObject *r = PyList_GET_ITEM(o, n); Py_INCREF(r); return r; } } else if (PyTuple_CheckExact(o)) { Py_ssize_t n = ((!wraparound) | likely(i >= 0)) ? i : i + PyTuple_GET_SIZE(o); if ((!boundscheck) || likely((n >= 0) & (n < PyTuple_GET_SIZE(o)))) { PyObject *r = PyTuple_GET_ITEM(o, n); Py_INCREF(r); return r; } } else { PySequenceMethods *m = Py_TYPE(o)->tp_as_sequence; if (likely(m && m->sq_item)) { if (wraparound && unlikely(i < 0) && likely(m->sq_length)) { Py_ssize_t l = m->sq_length(o); if (likely(l >= 0)) { i += l; } else { if (PyErr_ExceptionMatches(PyExc_OverflowError)) PyErr_Clear(); else return NULL; } } return m->sq_item(o, i); } } #else if (is_list || PySequence_Check(o)) { return PySequence_GetItem(o, i); } #endif return __Pyx_GetItemInt_Generic(o, PyInt_FromSsize_t(i)); } static CYTHON_INLINE void __Pyx_ErrRestore(PyObject *type, PyObject *value, PyObject *tb) { #if CYTHON_COMPILING_IN_CPYTHON PyObject *tmp_type, *tmp_value, *tmp_tb; PyThreadState *tstate = PyThreadState_GET(); tmp_type = tstate->curexc_type; tmp_value = tstate->curexc_value; tmp_tb = tstate->curexc_traceback; tstate->curexc_type = type; tstate->curexc_value = value; tstate->curexc_traceback = tb; Py_XDECREF(tmp_type); Py_XDECREF(tmp_value); Py_XDECREF(tmp_tb); #else PyErr_Restore(type, value, tb); #endif } static CYTHON_INLINE void __Pyx_ErrFetch(PyObject **type, PyObject **value, PyObject **tb) { #if CYTHON_COMPILING_IN_CPYTHON PyThreadState *tstate = PyThreadState_GET(); *type = tstate->curexc_type; *value = tstate->curexc_value; *tb = tstate->curexc_traceback; tstate->curexc_type = 0; tstate->curexc_value = 0; tstate->curexc_traceback = 0; #else PyErr_Fetch(type, value, tb); #endif } #if PY_MAJOR_VERSION < 3 static void __Pyx_Raise(PyObject *type, PyObject *value, PyObject *tb, CYTHON_UNUSED PyObject *cause) { Py_XINCREF(type); if (!value || value == Py_None) value = NULL; else Py_INCREF(value); if (!tb || tb == Py_None) tb = NULL; else { Py_INCREF(tb); if (!PyTraceBack_Check(tb)) { PyErr_SetString(PyExc_TypeError, "raise: arg 3 must be a traceback or None"); goto raise_error; } } #if PY_VERSION_HEX < 0x02050000 if (PyClass_Check(type)) { #else if (PyType_Check(type)) { #endif #if CYTHON_COMPILING_IN_PYPY if (!value) { Py_INCREF(Py_None); value = Py_None; } #endif PyErr_NormalizeException(&type, &value, &tb); } else { if (value) { PyErr_SetString(PyExc_TypeError, "instance exception may not have a separate value"); goto raise_error; } value = type; #if PY_VERSION_HEX < 0x02050000 if (PyInstance_Check(type)) { type = (PyObject*) ((PyInstanceObject*)type)->in_class; Py_INCREF(type); } else { type = 0; PyErr_SetString(PyExc_TypeError, "raise: exception must be an old-style class or instance"); goto raise_error; } #else type = (PyObject*) Py_TYPE(type); Py_INCREF(type); if (!PyType_IsSubtype((PyTypeObject *)type, (PyTypeObject *)PyExc_BaseException)) { PyErr_SetString(PyExc_TypeError, "raise: exception class must be a subclass of BaseException"); goto raise_error; } #endif } __Pyx_ErrRestore(type, value, tb); return; raise_error: Py_XDECREF(value); Py_XDECREF(type); Py_XDECREF(tb); return; } #else /* Python 3+ */ static void __Pyx_Raise(PyObject *type, PyObject *value, PyObject *tb, PyObject *cause) { PyObject* owned_instance = NULL; if (tb == Py_None) { tb = 0; } else if (tb && !PyTraceBack_Check(tb)) { PyErr_SetString(PyExc_TypeError, "raise: arg 3 must be a traceback or None"); goto bad; } if (value == Py_None) value = 0; if (PyExceptionInstance_Check(type)) { if (value) { PyErr_SetString(PyExc_TypeError, "instance exception may not have a separate value"); goto bad; } value = type; type = (PyObject*) Py_TYPE(value); } else if (PyExceptionClass_Check(type)) { PyObject *args; if (!value) args = PyTuple_New(0); else if (PyTuple_Check(value)) { Py_INCREF(value); args = value; } else args = PyTuple_Pack(1, value); if (!args) goto bad; owned_instance = PyEval_CallObject(type, args); Py_DECREF(args); if (!owned_instance) goto bad; value = owned_instance; if (!PyExceptionInstance_Check(value)) { PyErr_Format(PyExc_TypeError, "calling %R should have returned an instance of " "BaseException, not %R", type, Py_TYPE(value)); goto bad; } } else { PyErr_SetString(PyExc_TypeError, "raise: exception class must be a subclass of BaseException"); goto bad; } #if PY_VERSION_HEX >= 0x03030000 if (cause) { #else if (cause && cause != Py_None) { #endif PyObject *fixed_cause; if (cause == Py_None) { fixed_cause = NULL; } else if (PyExceptionClass_Check(cause)) { fixed_cause = PyObject_CallObject(cause, NULL); if (fixed_cause == NULL) goto bad; } else if (PyExceptionInstance_Check(cause)) { fixed_cause = cause; Py_INCREF(fixed_cause); } else { PyErr_SetString(PyExc_TypeError, "exception causes must derive from " "BaseException"); goto bad; } PyException_SetCause(value, fixed_cause); } PyErr_SetObject(type, value); if (tb) { PyThreadState *tstate = PyThreadState_GET(); PyObject* tmp_tb = tstate->curexc_traceback; if (tb != tmp_tb) { Py_INCREF(tb); tstate->curexc_traceback = tb; Py_XDECREF(tmp_tb); } } bad: Py_XDECREF(owned_instance); return; } #endif static CYTHON_INLINE void __Pyx_RaiseTooManyValuesError(Py_ssize_t expected) { PyErr_Format(PyExc_ValueError, "too many values to unpack (expected %" CYTHON_FORMAT_SSIZE_T "d)", expected); } static CYTHON_INLINE void __Pyx_RaiseNeedMoreValuesError(Py_ssize_t index) { PyErr_Format(PyExc_ValueError, "need more than %" CYTHON_FORMAT_SSIZE_T "d value%s to unpack", index, (index == 1) ? "" : "s"); } static CYTHON_INLINE void __Pyx_RaiseNoneNotIterableError(void) { PyErr_SetString(PyExc_TypeError, "'NoneType' object is not iterable"); } static CYTHON_INLINE int __Pyx_IterFinish(void) { #if CYTHON_COMPILING_IN_CPYTHON PyThreadState *tstate = PyThreadState_GET(); PyObject* exc_type = tstate->curexc_type; if (unlikely(exc_type)) { if (likely(exc_type == PyExc_StopIteration) || PyErr_GivenExceptionMatches(exc_type, PyExc_StopIteration)) { PyObject *exc_value, *exc_tb; exc_value = tstate->curexc_value; exc_tb = tstate->curexc_traceback; tstate->curexc_type = 0; tstate->curexc_value = 0; tstate->curexc_traceback = 0; Py_DECREF(exc_type); Py_XDECREF(exc_value); Py_XDECREF(exc_tb); return 0; } else { return -1; } } return 0; #else if (unlikely(PyErr_Occurred())) { if (likely(PyErr_ExceptionMatches(PyExc_StopIteration))) { PyErr_Clear(); return 0; } else { return -1; } } return 0; #endif } static int __Pyx_IternextUnpackEndCheck(PyObject *retval, Py_ssize_t expected) { if (unlikely(retval)) { Py_DECREF(retval); __Pyx_RaiseTooManyValuesError(expected); return -1; } else { return __Pyx_IterFinish(); } return 0; } static int __Pyx_ArgTypeTest(PyObject *obj, PyTypeObject *type, int none_allowed, const char *name, int exact) { if (!type) { PyErr_Format(PyExc_SystemError, "Missing type object"); return 0; } if (none_allowed && obj == Py_None) return 1; else if (exact) { if (Py_TYPE(obj) == type) return 1; } else { if (PyObject_TypeCheck(obj, type)) return 1; } PyErr_Format(PyExc_TypeError, "Argument '%s' has incorrect type (expected %s, got %s)", name, type->tp_name, Py_TYPE(obj)->tp_name); return 0; } static CYTHON_INLINE PyObject *__Pyx_GetAttr(PyObject *o, PyObject *n) { #if CYTHON_COMPILING_IN_CPYTHON #if PY_MAJOR_VERSION >= 3 if (likely(PyUnicode_Check(n))) #else if (likely(PyString_Check(n))) #endif return __Pyx_PyObject_GetAttrStr(o, n); #endif return PyObject_GetAttr(o, n); } static CYTHON_INLINE PyObject *__Pyx_GetAttr3(PyObject *o, PyObject *n, PyObject *d) { PyObject *r = __Pyx_GetAttr(o, n); if (!r) { if (!PyErr_ExceptionMatches(PyExc_AttributeError)) goto bad; PyErr_Clear(); r = d; Py_INCREF(d); } return r; bad: return NULL; } static CYTHON_INLINE Py_ssize_t __Pyx_div_Py_ssize_t(Py_ssize_t a, Py_ssize_t b) { Py_ssize_t q = a / b; Py_ssize_t r = a - q*b; q -= ((r != 0) & ((r ^ b) < 0)); return q; } static CYTHON_INLINE int __Pyx_PyUnicode_Equals(PyObject* s1, PyObject* s2, int equals) { #if CYTHON_COMPILING_IN_PYPY return PyObject_RichCompareBool(s1, s2, equals); #else if (s1 == s2) { return (equals == Py_EQ); } else if (PyUnicode_CheckExact(s1) & PyUnicode_CheckExact(s2)) { #if CYTHON_PEP393_ENABLED if ((PyUnicode_READY(s1) < 0) || (PyUnicode_READY(s2) < 0)) return -1; if (PyUnicode_GET_LENGTH(s1) != PyUnicode_GET_LENGTH(s2)) { return (equals == Py_NE); } else if (PyUnicode_GET_LENGTH(s1) == 1) { Py_UCS4 ch1 = PyUnicode_READ_CHAR(s1, 0); Py_UCS4 ch2 = PyUnicode_READ_CHAR(s2, 0); return (equals == Py_EQ) ? (ch1 == ch2) : (ch1 != ch2); #else if (PyUnicode_GET_SIZE(s1) != PyUnicode_GET_SIZE(s2)) { return (equals == Py_NE); } else if (PyUnicode_GET_SIZE(s1) == 1) { Py_UNICODE ch1 = PyUnicode_AS_UNICODE(s1)[0]; Py_UNICODE ch2 = PyUnicode_AS_UNICODE(s2)[0]; return (equals == Py_EQ) ? (ch1 == ch2) : (ch1 != ch2); #endif } else { int result = PyUnicode_Compare(s1, s2); if ((result == -1) && unlikely(PyErr_Occurred())) return -1; return (equals == Py_EQ) ? (result == 0) : (result != 0); } } else if ((s1 == Py_None) & PyUnicode_CheckExact(s2)) { return (equals == Py_NE); } else if ((s2 == Py_None) & PyUnicode_CheckExact(s1)) { return (equals == Py_NE); } else { int result; PyObject* py_result = PyObject_RichCompare(s1, s2, equals); if (!py_result) return -1; result = __Pyx_PyObject_IsTrue(py_result); Py_DECREF(py_result); return result; } #endif } static CYTHON_INLINE PyObject* __Pyx_decode_c_string( const char* cstring, Py_ssize_t start, Py_ssize_t stop, const char* encoding, const char* errors, PyObject* (*decode_func)(const char *s, Py_ssize_t size, const char *errors)) { Py_ssize_t length; if (unlikely((start < 0) | (stop < 0))) { length = strlen(cstring); if (start < 0) { start += length; if (start < 0) start = 0; } if (stop < 0) stop += length; } length = stop - start; if (unlikely(length <= 0)) return PyUnicode_FromUnicode(NULL, 0); cstring += start; if (decode_func) { return decode_func(cstring, length, errors); } else { return PyUnicode_Decode(cstring, length, encoding, errors); } } static int __Pyx_GetException(PyObject **type, PyObject **value, PyObject **tb) { PyObject *local_type, *local_value, *local_tb; #if CYTHON_COMPILING_IN_CPYTHON PyObject *tmp_type, *tmp_value, *tmp_tb; PyThreadState *tstate = PyThreadState_GET(); local_type = tstate->curexc_type; local_value = tstate->curexc_value; local_tb = tstate->curexc_traceback; tstate->curexc_type = 0; tstate->curexc_value = 0; tstate->curexc_traceback = 0; #else PyErr_Fetch(&local_type, &local_value, &local_tb); #endif PyErr_NormalizeException(&local_type, &local_value, &local_tb); #if CYTHON_COMPILING_IN_CPYTHON if (unlikely(tstate->curexc_type)) #else if (unlikely(PyErr_Occurred())) #endif goto bad; #if PY_MAJOR_VERSION >= 3 if (unlikely(PyException_SetTraceback(local_value, local_tb) < 0)) goto bad; #endif Py_INCREF(local_type); Py_INCREF(local_value); Py_INCREF(local_tb); *type = local_type; *value = local_value; *tb = local_tb; #if CYTHON_COMPILING_IN_CPYTHON tmp_type = tstate->exc_type; tmp_value = tstate->exc_value; tmp_tb = tstate->exc_traceback; tstate->exc_type = local_type; tstate->exc_value = local_value; tstate->exc_traceback = local_tb; /* Make sure tstate is in a consistent state when we XDECREF these objects (DECREF may run arbitrary code). */ Py_XDECREF(tmp_type); Py_XDECREF(tmp_value); Py_XDECREF(tmp_tb); #else PyErr_SetExcInfo(local_type, local_value, local_tb); #endif return 0; bad: *type = 0; *value = 0; *tb = 0; Py_XDECREF(local_type); Py_XDECREF(local_value); Py_XDECREF(local_tb); return -1; } static CYTHON_INLINE void __Pyx_RaiseUnboundLocalError(const char *varname) { PyErr_Format(PyExc_UnboundLocalError, "local variable '%s' referenced before assignment", varname); } static CYTHON_INLINE long __Pyx_div_long(long a, long b) { long q = a / b; long r = a - q*b; q -= ((r != 0) & ((r ^ b) < 0)); return q; } static void __Pyx_WriteUnraisable(const char *name, CYTHON_UNUSED int clineno, CYTHON_UNUSED int lineno, CYTHON_UNUSED const char *filename) { PyObject *old_exc, *old_val, *old_tb; PyObject *ctx; __Pyx_ErrFetch(&old_exc, &old_val, &old_tb); #if PY_MAJOR_VERSION < 3 ctx = PyString_FromString(name); #else ctx = PyUnicode_FromString(name); #endif __Pyx_ErrRestore(old_exc, old_val, old_tb); if (!ctx) { PyErr_WriteUnraisable(Py_None); } else { PyErr_WriteUnraisable(ctx); Py_DECREF(ctx); } } static int __Pyx_SetVtable(PyObject *dict, void *vtable) { #if PY_VERSION_HEX >= 0x02070000 && !(PY_MAJOR_VERSION==3&&PY_MINOR_VERSION==0) PyObject *ob = PyCapsule_New(vtable, 0, 0); #else PyObject *ob = PyCObject_FromVoidPtr(vtable, 0); #endif if (!ob) goto bad; if (PyDict_SetItem(dict, __pyx_n_s____pyx_vtable__, ob) < 0) goto bad; Py_DECREF(ob); return 0; bad: Py_XDECREF(ob); return -1; } #if PY_MAJOR_VERSION < 3 static int __Pyx_GetBuffer(PyObject *obj, Py_buffer *view, int flags) { #if PY_VERSION_HEX >= 0x02060000 if (PyObject_CheckBuffer(obj)) return PyObject_GetBuffer(obj, view, flags); #endif if (PyObject_TypeCheck(obj, __pyx_ptype_5numpy_ndarray)) return __pyx_pw_5numpy_7ndarray_1__getbuffer__(obj, view, flags); if (PyObject_TypeCheck(obj, __pyx_array_type)) return __pyx_array_getbuffer(obj, view, flags); if (PyObject_TypeCheck(obj, __pyx_memoryview_type)) return __pyx_memoryview_getbuffer(obj, view, flags); #if PY_VERSION_HEX < 0x02060000 if (obj->ob_type->tp_dict) { PyObject *getbuffer_cobj = PyObject_GetItem( obj->ob_type->tp_dict, __pyx_n_s____pyx_getbuffer); if (getbuffer_cobj) { getbufferproc func = (getbufferproc) PyCObject_AsVoidPtr(getbuffer_cobj); Py_DECREF(getbuffer_cobj); if (!func) goto fail; return func(obj, view, flags); } else { PyErr_Clear(); } } #endif PyErr_Format(PyExc_TypeError, "'%100s' does not have the buffer interface", Py_TYPE(obj)->tp_name); #if PY_VERSION_HEX < 0x02060000 fail: #endif return -1; } static void __Pyx_ReleaseBuffer(Py_buffer *view) { PyObject *obj = view->obj; if (!obj) return; #if PY_VERSION_HEX >= 0x02060000 if (PyObject_CheckBuffer(obj)) { PyBuffer_Release(view); return; } #endif if (PyObject_TypeCheck(obj, __pyx_ptype_5numpy_ndarray)) { __pyx_pw_5numpy_7ndarray_3__releasebuffer__(obj, view); return; } #if PY_VERSION_HEX < 0x02060000 if (obj->ob_type->tp_dict) { PyObject *releasebuffer_cobj = PyObject_GetItem( obj->ob_type->tp_dict, __pyx_n_s____pyx_releasebuffer); if (releasebuffer_cobj) { releasebufferproc func = (releasebufferproc) PyCObject_AsVoidPtr(releasebuffer_cobj); Py_DECREF(releasebuffer_cobj); if (!func) goto fail; func(obj, view); return; } else { PyErr_Clear(); } } #endif goto nofail; #if PY_VERSION_HEX < 0x02060000 fail: #endif PyErr_WriteUnraisable(obj); nofail: Py_DECREF(obj); view->obj = NULL; } #endif /* PY_MAJOR_VERSION < 3 */ static PyObject *__Pyx_Import(PyObject *name, PyObject *from_list, int level) { PyObject *empty_list = 0; PyObject *module = 0; PyObject *global_dict = 0; PyObject *empty_dict = 0; PyObject *list; #if PY_VERSION_HEX < 0x03030000 PyObject *py_import; py_import = __Pyx_PyObject_GetAttrStr(__pyx_b, __pyx_n_s____import__); if (!py_import) goto bad; #endif if (from_list) list = from_list; else { empty_list = PyList_New(0); if (!empty_list) goto bad; list = empty_list; } global_dict = PyModule_GetDict(__pyx_m); if (!global_dict) goto bad; empty_dict = PyDict_New(); if (!empty_dict) goto bad; #if PY_VERSION_HEX >= 0x02050000 { #if PY_MAJOR_VERSION >= 3 if (level == -1) { if (strchr(__Pyx_MODULE_NAME, '.')) { #if PY_VERSION_HEX < 0x03030000 PyObject *py_level = PyInt_FromLong(1); if (!py_level) goto bad; module = PyObject_CallFunctionObjArgs(py_import, name, global_dict, empty_dict, list, py_level, NULL); Py_DECREF(py_level); #else module = PyImport_ImportModuleLevelObject( name, global_dict, empty_dict, list, 1); #endif if (!module) { if (!PyErr_ExceptionMatches(PyExc_ImportError)) goto bad; PyErr_Clear(); } } level = 0; /* try absolute import on failure */ } #endif if (!module) { #if PY_VERSION_HEX < 0x03030000 PyObject *py_level = PyInt_FromLong(level); if (!py_level) goto bad; module = PyObject_CallFunctionObjArgs(py_import, name, global_dict, empty_dict, list, py_level, NULL); Py_DECREF(py_level); #else module = PyImport_ImportModuleLevelObject( name, global_dict, empty_dict, list, level); #endif } } #else if (level>0) { PyErr_SetString(PyExc_RuntimeError, "Relative import is not supported for Python <=2.4."); goto bad; } module = PyObject_CallFunctionObjArgs(py_import, name, global_dict, empty_dict, list, NULL); #endif bad: #if PY_VERSION_HEX < 0x03030000 Py_XDECREF(py_import); #endif Py_XDECREF(empty_list); Py_XDECREF(empty_dict); return module; } static PyObject *__pyx_memview_get_double(const char *itemp) { return (PyObject *) PyFloat_FromDouble(*(double *) itemp); } static int __pyx_memview_set_double(const char *itemp, PyObject *obj) { double value = __pyx_PyFloat_AsDouble(obj); if ((value == (double)-1) && PyErr_Occurred()) return 0; *(double *) itemp = value; return 1; } #if CYTHON_CCOMPLEX #ifdef __cplusplus static CYTHON_INLINE __pyx_t_float_complex __pyx_t_float_complex_from_parts(float x, float y) { return ::std::complex< float >(x, y); } #else static CYTHON_INLINE __pyx_t_float_complex __pyx_t_float_complex_from_parts(float x, float y) { return x + y*(__pyx_t_float_complex)_Complex_I; } #endif #else static CYTHON_INLINE __pyx_t_float_complex __pyx_t_float_complex_from_parts(float x, float y) { __pyx_t_float_complex z; z.real = x; z.imag = y; return z; } #endif #if CYTHON_CCOMPLEX #else static CYTHON_INLINE int __Pyx_c_eqf(__pyx_t_float_complex a, __pyx_t_float_complex b) { return (a.real == b.real) && (a.imag == b.imag); } static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_sumf(__pyx_t_float_complex a, __pyx_t_float_complex b) { __pyx_t_float_complex z; z.real = a.real + b.real; z.imag = a.imag + b.imag; return z; } static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_difff(__pyx_t_float_complex a, __pyx_t_float_complex b) { __pyx_t_float_complex z; z.real = a.real - b.real; z.imag = a.imag - b.imag; return z; } static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_prodf(__pyx_t_float_complex a, __pyx_t_float_complex b) { __pyx_t_float_complex z; z.real = a.real * b.real - a.imag * b.imag; z.imag = a.real * b.imag + a.imag * b.real; return z; } static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_quotf(__pyx_t_float_complex a, __pyx_t_float_complex b) { __pyx_t_float_complex z; float denom = b.real * b.real + b.imag * b.imag; z.real = (a.real * b.real + a.imag * b.imag) / denom; z.imag = (a.imag * b.real - a.real * b.imag) / denom; return z; } static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_negf(__pyx_t_float_complex a) { __pyx_t_float_complex z; z.real = -a.real; z.imag = -a.imag; return z; } static CYTHON_INLINE int __Pyx_c_is_zerof(__pyx_t_float_complex a) { return (a.real == 0) && (a.imag == 0); } static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_conjf(__pyx_t_float_complex a) { __pyx_t_float_complex z; z.real = a.real; z.imag = -a.imag; return z; } #if 1 static CYTHON_INLINE float __Pyx_c_absf(__pyx_t_float_complex z) { #if !defined(HAVE_HYPOT) || defined(_MSC_VER) return sqrtf(z.real*z.real + z.imag*z.imag); #else return hypotf(z.real, z.imag); #endif } static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_powf(__pyx_t_float_complex a, __pyx_t_float_complex b) { __pyx_t_float_complex z; float r, lnr, theta, z_r, z_theta; if (b.imag == 0 && b.real == (int)b.real) { if (b.real < 0) { float denom = a.real * a.real + a.imag * a.imag; a.real = a.real / denom; a.imag = -a.imag / denom; b.real = -b.real; } switch ((int)b.real) { case 0: z.real = 1; z.imag = 0; return z; case 1: return a; case 2: z = __Pyx_c_prodf(a, a); return __Pyx_c_prodf(a, a); case 3: z = __Pyx_c_prodf(a, a); return __Pyx_c_prodf(z, a); case 4: z = __Pyx_c_prodf(a, a); return __Pyx_c_prodf(z, z); } } if (a.imag == 0) { if (a.real == 0) { return a; } r = a.real; theta = 0; } else { r = __Pyx_c_absf(a); theta = atan2f(a.imag, a.real); } lnr = logf(r); z_r = expf(lnr * b.real - theta * b.imag); z_theta = theta * b.real + lnr * b.imag; z.real = z_r * cosf(z_theta); z.imag = z_r * sinf(z_theta); return z; } #endif #endif #if CYTHON_CCOMPLEX #ifdef __cplusplus static CYTHON_INLINE __pyx_t_double_complex __pyx_t_double_complex_from_parts(double x, double y) { return ::std::complex< double >(x, y); } #else static CYTHON_INLINE __pyx_t_double_complex __pyx_t_double_complex_from_parts(double x, double y) { return x + y*(__pyx_t_double_complex)_Complex_I; } #endif #else static CYTHON_INLINE __pyx_t_double_complex __pyx_t_double_complex_from_parts(double x, double y) { __pyx_t_double_complex z; z.real = x; z.imag = y; return z; } #endif #if CYTHON_CCOMPLEX #else static CYTHON_INLINE int __Pyx_c_eq(__pyx_t_double_complex a, __pyx_t_double_complex b) { return (a.real == b.real) && (a.imag == b.imag); } static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_sum(__pyx_t_double_complex a, __pyx_t_double_complex b) { __pyx_t_double_complex z; z.real = a.real + b.real; z.imag = a.imag + b.imag; return z; } static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_diff(__pyx_t_double_complex a, __pyx_t_double_complex b) { __pyx_t_double_complex z; z.real = a.real - b.real; z.imag = a.imag - b.imag; return z; } static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_prod(__pyx_t_double_complex a, __pyx_t_double_complex b) { __pyx_t_double_complex z; z.real = a.real * b.real - a.imag * b.imag; z.imag = a.real * b.imag + a.imag * b.real; return z; } static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_quot(__pyx_t_double_complex a, __pyx_t_double_complex b) { __pyx_t_double_complex z; double denom = b.real * b.real + b.imag * b.imag; z.real = (a.real * b.real + a.imag * b.imag) / denom; z.imag = (a.imag * b.real - a.real * b.imag) / denom; return z; } static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_neg(__pyx_t_double_complex a) { __pyx_t_double_complex z; z.real = -a.real; z.imag = -a.imag; return z; } static CYTHON_INLINE int __Pyx_c_is_zero(__pyx_t_double_complex a) { return (a.real == 0) && (a.imag == 0); } static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_conj(__pyx_t_double_complex a) { __pyx_t_double_complex z; z.real = a.real; z.imag = -a.imag; return z; } #if 1 static CYTHON_INLINE double __Pyx_c_abs(__pyx_t_double_complex z) { #if !defined(HAVE_HYPOT) || defined(_MSC_VER) return sqrt(z.real*z.real + z.imag*z.imag); #else return hypot(z.real, z.imag); #endif } static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_pow(__pyx_t_double_complex a, __pyx_t_double_complex b) { __pyx_t_double_complex z; double r, lnr, theta, z_r, z_theta; if (b.imag == 0 && b.real == (int)b.real) { if (b.real < 0) { double denom = a.real * a.real + a.imag * a.imag; a.real = a.real / denom; a.imag = -a.imag / denom; b.real = -b.real; } switch ((int)b.real) { case 0: z.real = 1; z.imag = 0; return z; case 1: return a; case 2: z = __Pyx_c_prod(a, a); return __Pyx_c_prod(a, a); case 3: z = __Pyx_c_prod(a, a); return __Pyx_c_prod(z, a); case 4: z = __Pyx_c_prod(a, a); return __Pyx_c_prod(z, z); } } if (a.imag == 0) { if (a.real == 0) { return a; } r = a.real; theta = 0; } else { r = __Pyx_c_abs(a); theta = atan2(a.imag, a.real); } lnr = log(r); z_r = exp(lnr * b.real - theta * b.imag); z_theta = theta * b.real + lnr * b.imag; z.real = z_r * cos(z_theta); z.imag = z_r * sin(z_theta); return z; } #endif #endif static int __pyx_memviewslice_is_contig(const __Pyx_memviewslice *mvs, char order, int ndim) { int i, index, step, start; Py_ssize_t itemsize = mvs->memview->view.itemsize; if (order == 'F') { step = 1; start = 0; } else { step = -1; start = ndim - 1; } for (i = 0; i < ndim; i++) { index = start + step * i; if (mvs->suboffsets[index] >= 0 || mvs->strides[index] != itemsize) return 0; itemsize *= mvs->shape[index]; } return 1; } static void __pyx_get_array_memory_extents(__Pyx_memviewslice *slice, void **out_start, void **out_end, int ndim, size_t itemsize) { char *start, *end; int i; start = end = slice->data; for (i = 0; i < ndim; i++) { Py_ssize_t stride = slice->strides[i]; Py_ssize_t extent = slice->shape[i]; if (extent == 0) { *out_start = *out_end = start; return; } else { if (stride > 0) end += stride * (extent - 1); else start += stride * (extent - 1); } } *out_start = start; *out_end = end + itemsize; } static int __pyx_slices_overlap(__Pyx_memviewslice *slice1, __Pyx_memviewslice *slice2, int ndim, size_t itemsize) { void *start1, *end1, *start2, *end2; __pyx_get_array_memory_extents(slice1, &start1, &end1, ndim, itemsize); __pyx_get_array_memory_extents(slice2, &start2, &end2, ndim, itemsize); return (start1 < end2) && (start2 < end1); } static __Pyx_memviewslice __pyx_memoryview_copy_new_contig(const __Pyx_memviewslice *from_mvs, const char *mode, int ndim, size_t sizeof_dtype, int contig_flag, int dtype_is_object) { __Pyx_RefNannyDeclarations int i; __Pyx_memviewslice new_mvs = { 0, 0, { 0 }, { 0 }, { 0 } }; struct __pyx_memoryview_obj *from_memview = from_mvs->memview; Py_buffer *buf = &from_memview->view; PyObject *shape_tuple = NULL; PyObject *temp_int = NULL; struct __pyx_array_obj *array_obj = NULL; struct __pyx_memoryview_obj *memview_obj = NULL; __Pyx_RefNannySetupContext("__pyx_memoryview_copy_new_contig", 0); for (i = 0; i < ndim; i++) { if (from_mvs->suboffsets[i] >= 0) { PyErr_Format(PyExc_ValueError, "Cannot copy memoryview slice with " "indirect dimensions (axis %d)", i); goto fail; } } shape_tuple = PyTuple_New(ndim); if (unlikely(!shape_tuple)) { goto fail; } __Pyx_GOTREF(shape_tuple); for(i = 0; i < ndim; i++) { temp_int = PyInt_FromLong(from_mvs->shape[i]); if(unlikely(!temp_int)) { goto fail; } else { PyTuple_SET_ITEM(shape_tuple, i, temp_int); temp_int = NULL; } } array_obj = __pyx_array_new(shape_tuple, sizeof_dtype, buf->format, (char *) mode, NULL); if (unlikely(!array_obj)) { goto fail; } __Pyx_GOTREF(array_obj); memview_obj = (struct __pyx_memoryview_obj *) __pyx_memoryview_new( (PyObject *) array_obj, contig_flag, dtype_is_object, from_mvs->memview->typeinfo); if (unlikely(!memview_obj)) goto fail; if (unlikely(__Pyx_init_memviewslice(memview_obj, ndim, &new_mvs, 1) < 0)) goto fail; if (unlikely(__pyx_memoryview_copy_contents(*from_mvs, new_mvs, ndim, ndim, dtype_is_object) < 0)) goto fail; goto no_fail; fail: __Pyx_XDECREF(new_mvs.memview); new_mvs.memview = NULL; new_mvs.data = NULL; no_fail: __Pyx_XDECREF(shape_tuple); __Pyx_XDECREF(temp_int); __Pyx_XDECREF(array_obj); __Pyx_RefNannyFinishContext(); return new_mvs; } static CYTHON_INLINE PyObject * __pyx_capsule_create(void *p, CYTHON_UNUSED const char *sig) { PyObject *cobj; #if PY_VERSION_HEX >= 0x02070000 && !(PY_MAJOR_VERSION == 3 && PY_MINOR_VERSION == 0) cobj = PyCapsule_New(p, sig, NULL); #else cobj = PyCObject_FromVoidPtr(p, NULL); #endif return cobj; } static CYTHON_INLINE void __Pyx_ExceptionSave(PyObject **type, PyObject **value, PyObject **tb) { #if CYTHON_COMPILING_IN_CPYTHON PyThreadState *tstate = PyThreadState_GET(); *type = tstate->exc_type; *value = tstate->exc_value; *tb = tstate->exc_traceback; Py_XINCREF(*type); Py_XINCREF(*value); Py_XINCREF(*tb); #else PyErr_GetExcInfo(type, value, tb); #endif } static void __Pyx_ExceptionReset(PyObject *type, PyObject *value, PyObject *tb) { #if CYTHON_COMPILING_IN_CPYTHON PyObject *tmp_type, *tmp_value, *tmp_tb; PyThreadState *tstate = PyThreadState_GET(); tmp_type = tstate->exc_type; tmp_value = tstate->exc_value; tmp_tb = tstate->exc_traceback; tstate->exc_type = type; tstate->exc_value = value; tstate->exc_traceback = tb; Py_XDECREF(tmp_type); Py_XDECREF(tmp_value); Py_XDECREF(tmp_tb); #else PyErr_SetExcInfo(type, value, tb); #endif } static CYTHON_INLINE unsigned char __Pyx_PyInt_AsUnsignedChar(PyObject* x) { const unsigned char neg_one = (unsigned char)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; if (sizeof(unsigned char) < sizeof(long)) { long val = __Pyx_PyInt_AsLong(x); if (unlikely(val != (long)(unsigned char)val)) { if (!unlikely(val == -1 && PyErr_Occurred())) { PyErr_SetString(PyExc_OverflowError, (is_unsigned && unlikely(val < 0)) ? "can't convert negative value to unsigned char" : "value too large to convert to unsigned char"); } return (unsigned char)-1; } return (unsigned char)val; } return (unsigned char)__Pyx_PyInt_AsUnsignedLong(x); } static CYTHON_INLINE unsigned short __Pyx_PyInt_AsUnsignedShort(PyObject* x) { const unsigned short neg_one = (unsigned short)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; if (sizeof(unsigned short) < sizeof(long)) { long val = __Pyx_PyInt_AsLong(x); if (unlikely(val != (long)(unsigned short)val)) { if (!unlikely(val == -1 && PyErr_Occurred())) { PyErr_SetString(PyExc_OverflowError, (is_unsigned && unlikely(val < 0)) ? "can't convert negative value to unsigned short" : "value too large to convert to unsigned short"); } return (unsigned short)-1; } return (unsigned short)val; } return (unsigned short)__Pyx_PyInt_AsUnsignedLong(x); } static CYTHON_INLINE unsigned int __Pyx_PyInt_AsUnsignedInt(PyObject* x) { const unsigned int neg_one = (unsigned int)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; if (sizeof(unsigned int) < sizeof(long)) { long val = __Pyx_PyInt_AsLong(x); if (unlikely(val != (long)(unsigned int)val)) { if (!unlikely(val == -1 && PyErr_Occurred())) { PyErr_SetString(PyExc_OverflowError, (is_unsigned && unlikely(val < 0)) ? "can't convert negative value to unsigned int" : "value too large to convert to unsigned int"); } return (unsigned int)-1; } return (unsigned int)val; } return (unsigned int)__Pyx_PyInt_AsUnsignedLong(x); } static CYTHON_INLINE char __Pyx_PyInt_AsChar(PyObject* x) { const char neg_one = (char)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; if (sizeof(char) < sizeof(long)) { long val = __Pyx_PyInt_AsLong(x); if (unlikely(val != (long)(char)val)) { if (!unlikely(val == -1 && PyErr_Occurred())) { PyErr_SetString(PyExc_OverflowError, (is_unsigned && unlikely(val < 0)) ? "can't convert negative value to char" : "value too large to convert to char"); } return (char)-1; } return (char)val; } return (char)__Pyx_PyInt_AsLong(x); } static CYTHON_INLINE short __Pyx_PyInt_AsShort(PyObject* x) { const short neg_one = (short)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; if (sizeof(short) < sizeof(long)) { long val = __Pyx_PyInt_AsLong(x); if (unlikely(val != (long)(short)val)) { if (!unlikely(val == -1 && PyErr_Occurred())) { PyErr_SetString(PyExc_OverflowError, (is_unsigned && unlikely(val < 0)) ? "can't convert negative value to short" : "value too large to convert to short"); } return (short)-1; } return (short)val; } return (short)__Pyx_PyInt_AsLong(x); } static CYTHON_INLINE int __Pyx_PyInt_AsInt(PyObject* x) { const int neg_one = (int)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; if (sizeof(int) < sizeof(long)) { long val = __Pyx_PyInt_AsLong(x); if (unlikely(val != (long)(int)val)) { if (!unlikely(val == -1 && PyErr_Occurred())) { PyErr_SetString(PyExc_OverflowError, (is_unsigned && unlikely(val < 0)) ? "can't convert negative value to int" : "value too large to convert to int"); } return (int)-1; } return (int)val; } return (int)__Pyx_PyInt_AsLong(x); } static CYTHON_INLINE signed char __Pyx_PyInt_AsSignedChar(PyObject* x) { const signed char neg_one = (signed char)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; if (sizeof(signed char) < sizeof(long)) { long val = __Pyx_PyInt_AsLong(x); if (unlikely(val != (long)(signed char)val)) { if (!unlikely(val == -1 && PyErr_Occurred())) { PyErr_SetString(PyExc_OverflowError, (is_unsigned && unlikely(val < 0)) ? "can't convert negative value to signed char" : "value too large to convert to signed char"); } return (signed char)-1; } return (signed char)val; } return (signed char)__Pyx_PyInt_AsSignedLong(x); } static CYTHON_INLINE signed short __Pyx_PyInt_AsSignedShort(PyObject* x) { const signed short neg_one = (signed short)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; if (sizeof(signed short) < sizeof(long)) { long val = __Pyx_PyInt_AsLong(x); if (unlikely(val != (long)(signed short)val)) { if (!unlikely(val == -1 && PyErr_Occurred())) { PyErr_SetString(PyExc_OverflowError, (is_unsigned && unlikely(val < 0)) ? "can't convert negative value to signed short" : "value too large to convert to signed short"); } return (signed short)-1; } return (signed short)val; } return (signed short)__Pyx_PyInt_AsSignedLong(x); } static CYTHON_INLINE signed int __Pyx_PyInt_AsSignedInt(PyObject* x) { const signed int neg_one = (signed int)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; if (sizeof(signed int) < sizeof(long)) { long val = __Pyx_PyInt_AsLong(x); if (unlikely(val != (long)(signed int)val)) { if (!unlikely(val == -1 && PyErr_Occurred())) { PyErr_SetString(PyExc_OverflowError, (is_unsigned && unlikely(val < 0)) ? "can't convert negative value to signed int" : "value too large to convert to signed int"); } return (signed int)-1; } return (signed int)val; } return (signed int)__Pyx_PyInt_AsSignedLong(x); } static CYTHON_INLINE int __Pyx_PyInt_AsLongDouble(PyObject* x) { const int neg_one = (int)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; if (sizeof(int) < sizeof(long)) { long val = __Pyx_PyInt_AsLong(x); if (unlikely(val != (long)(int)val)) { if (!unlikely(val == -1 && PyErr_Occurred())) { PyErr_SetString(PyExc_OverflowError, (is_unsigned && unlikely(val < 0)) ? "can't convert negative value to int" : "value too large to convert to int"); } return (int)-1; } return (int)val; } return (int)__Pyx_PyInt_AsLong(x); } #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS #include "longintrepr.h" #endif #endif static CYTHON_INLINE unsigned long __Pyx_PyInt_AsUnsignedLong(PyObject* x) { const unsigned long neg_one = (unsigned long)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; #if PY_MAJOR_VERSION < 3 if (likely(PyInt_Check(x))) { long val = PyInt_AS_LONG(x); if (is_unsigned && unlikely(val < 0)) { PyErr_SetString(PyExc_OverflowError, "can't convert negative value to unsigned long"); return (unsigned long)-1; } return (unsigned long)val; } else #endif if (likely(PyLong_Check(x))) { if (is_unsigned) { #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS if (sizeof(digit) <= sizeof(unsigned long)) { switch (Py_SIZE(x)) { case 0: return 0; case 1: return (unsigned long) ((PyLongObject*)x)->ob_digit[0]; } } #endif #endif if (unlikely(Py_SIZE(x) < 0)) { PyErr_SetString(PyExc_OverflowError, "can't convert negative value to unsigned long"); return (unsigned long)-1; } return (unsigned long)PyLong_AsUnsignedLong(x); } else { #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS if (sizeof(digit) <= sizeof(unsigned long)) { switch (Py_SIZE(x)) { case 0: return 0; case 1: return +(unsigned long) ((PyLongObject*)x)->ob_digit[0]; case -1: return -(unsigned long) ((PyLongObject*)x)->ob_digit[0]; } } #endif #endif return (unsigned long)PyLong_AsLong(x); } } else { unsigned long val; PyObject *tmp = __Pyx_PyNumber_Int(x); if (!tmp) return (unsigned long)-1; val = __Pyx_PyInt_AsUnsignedLong(tmp); Py_DECREF(tmp); return val; } } #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS #include "longintrepr.h" #endif #endif static CYTHON_INLINE unsigned PY_LONG_LONG __Pyx_PyInt_AsUnsignedLongLong(PyObject* x) { const unsigned PY_LONG_LONG neg_one = (unsigned PY_LONG_LONG)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; #if PY_MAJOR_VERSION < 3 if (likely(PyInt_Check(x))) { long val = PyInt_AS_LONG(x); if (is_unsigned && unlikely(val < 0)) { PyErr_SetString(PyExc_OverflowError, "can't convert negative value to unsigned PY_LONG_LONG"); return (unsigned PY_LONG_LONG)-1; } return (unsigned PY_LONG_LONG)val; } else #endif if (likely(PyLong_Check(x))) { if (is_unsigned) { #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS if (sizeof(digit) <= sizeof(unsigned PY_LONG_LONG)) { switch (Py_SIZE(x)) { case 0: return 0; case 1: return (unsigned PY_LONG_LONG) ((PyLongObject*)x)->ob_digit[0]; } } #endif #endif if (unlikely(Py_SIZE(x) < 0)) { PyErr_SetString(PyExc_OverflowError, "can't convert negative value to unsigned PY_LONG_LONG"); return (unsigned PY_LONG_LONG)-1; } return (unsigned PY_LONG_LONG)PyLong_AsUnsignedLongLong(x); } else { #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS if (sizeof(digit) <= sizeof(unsigned PY_LONG_LONG)) { switch (Py_SIZE(x)) { case 0: return 0; case 1: return +(unsigned PY_LONG_LONG) ((PyLongObject*)x)->ob_digit[0]; case -1: return -(unsigned PY_LONG_LONG) ((PyLongObject*)x)->ob_digit[0]; } } #endif #endif return (unsigned PY_LONG_LONG)PyLong_AsLongLong(x); } } else { unsigned PY_LONG_LONG val; PyObject *tmp = __Pyx_PyNumber_Int(x); if (!tmp) return (unsigned PY_LONG_LONG)-1; val = __Pyx_PyInt_AsUnsignedLongLong(tmp); Py_DECREF(tmp); return val; } } #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS #include "longintrepr.h" #endif #endif static CYTHON_INLINE long __Pyx_PyInt_AsLong(PyObject* x) { const long neg_one = (long)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; #if PY_MAJOR_VERSION < 3 if (likely(PyInt_Check(x))) { long val = PyInt_AS_LONG(x); if (is_unsigned && unlikely(val < 0)) { PyErr_SetString(PyExc_OverflowError, "can't convert negative value to long"); return (long)-1; } return (long)val; } else #endif if (likely(PyLong_Check(x))) { if (is_unsigned) { #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS if (sizeof(digit) <= sizeof(long)) { switch (Py_SIZE(x)) { case 0: return 0; case 1: return (long) ((PyLongObject*)x)->ob_digit[0]; } } #endif #endif if (unlikely(Py_SIZE(x) < 0)) { PyErr_SetString(PyExc_OverflowError, "can't convert negative value to long"); return (long)-1; } return (long)PyLong_AsUnsignedLong(x); } else { #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS if (sizeof(digit) <= sizeof(long)) { switch (Py_SIZE(x)) { case 0: return 0; case 1: return +(long) ((PyLongObject*)x)->ob_digit[0]; case -1: return -(long) ((PyLongObject*)x)->ob_digit[0]; } } #endif #endif return (long)PyLong_AsLong(x); } } else { long val; PyObject *tmp = __Pyx_PyNumber_Int(x); if (!tmp) return (long)-1; val = __Pyx_PyInt_AsLong(tmp); Py_DECREF(tmp); return val; } } #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS #include "longintrepr.h" #endif #endif static CYTHON_INLINE PY_LONG_LONG __Pyx_PyInt_AsLongLong(PyObject* x) { const PY_LONG_LONG neg_one = (PY_LONG_LONG)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; #if PY_MAJOR_VERSION < 3 if (likely(PyInt_Check(x))) { long val = PyInt_AS_LONG(x); if (is_unsigned && unlikely(val < 0)) { PyErr_SetString(PyExc_OverflowError, "can't convert negative value to PY_LONG_LONG"); return (PY_LONG_LONG)-1; } return (PY_LONG_LONG)val; } else #endif if (likely(PyLong_Check(x))) { if (is_unsigned) { #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS if (sizeof(digit) <= sizeof(PY_LONG_LONG)) { switch (Py_SIZE(x)) { case 0: return 0; case 1: return (PY_LONG_LONG) ((PyLongObject*)x)->ob_digit[0]; } } #endif #endif if (unlikely(Py_SIZE(x) < 0)) { PyErr_SetString(PyExc_OverflowError, "can't convert negative value to PY_LONG_LONG"); return (PY_LONG_LONG)-1; } return (PY_LONG_LONG)PyLong_AsUnsignedLongLong(x); } else { #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS if (sizeof(digit) <= sizeof(PY_LONG_LONG)) { switch (Py_SIZE(x)) { case 0: return 0; case 1: return +(PY_LONG_LONG) ((PyLongObject*)x)->ob_digit[0]; case -1: return -(PY_LONG_LONG) ((PyLongObject*)x)->ob_digit[0]; } } #endif #endif return (PY_LONG_LONG)PyLong_AsLongLong(x); } } else { PY_LONG_LONG val; PyObject *tmp = __Pyx_PyNumber_Int(x); if (!tmp) return (PY_LONG_LONG)-1; val = __Pyx_PyInt_AsLongLong(tmp); Py_DECREF(tmp); return val; } } #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS #include "longintrepr.h" #endif #endif static CYTHON_INLINE signed long __Pyx_PyInt_AsSignedLong(PyObject* x) { const signed long neg_one = (signed long)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; #if PY_MAJOR_VERSION < 3 if (likely(PyInt_Check(x))) { long val = PyInt_AS_LONG(x); if (is_unsigned && unlikely(val < 0)) { PyErr_SetString(PyExc_OverflowError, "can't convert negative value to signed long"); return (signed long)-1; } return (signed long)val; } else #endif if (likely(PyLong_Check(x))) { if (is_unsigned) { #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS if (sizeof(digit) <= sizeof(signed long)) { switch (Py_SIZE(x)) { case 0: return 0; case 1: return (signed long) ((PyLongObject*)x)->ob_digit[0]; } } #endif #endif if (unlikely(Py_SIZE(x) < 0)) { PyErr_SetString(PyExc_OverflowError, "can't convert negative value to signed long"); return (signed long)-1; } return (signed long)PyLong_AsUnsignedLong(x); } else { #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS if (sizeof(digit) <= sizeof(signed long)) { switch (Py_SIZE(x)) { case 0: return 0; case 1: return +(signed long) ((PyLongObject*)x)->ob_digit[0]; case -1: return -(signed long) ((PyLongObject*)x)->ob_digit[0]; } } #endif #endif return (signed long)PyLong_AsLong(x); } } else { signed long val; PyObject *tmp = __Pyx_PyNumber_Int(x); if (!tmp) return (signed long)-1; val = __Pyx_PyInt_AsSignedLong(tmp); Py_DECREF(tmp); return val; } } #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS #include "longintrepr.h" #endif #endif static CYTHON_INLINE signed PY_LONG_LONG __Pyx_PyInt_AsSignedLongLong(PyObject* x) { const signed PY_LONG_LONG neg_one = (signed PY_LONG_LONG)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; #if PY_MAJOR_VERSION < 3 if (likely(PyInt_Check(x))) { long val = PyInt_AS_LONG(x); if (is_unsigned && unlikely(val < 0)) { PyErr_SetString(PyExc_OverflowError, "can't convert negative value to signed PY_LONG_LONG"); return (signed PY_LONG_LONG)-1; } return (signed PY_LONG_LONG)val; } else #endif if (likely(PyLong_Check(x))) { if (is_unsigned) { #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS if (sizeof(digit) <= sizeof(signed PY_LONG_LONG)) { switch (Py_SIZE(x)) { case 0: return 0; case 1: return (signed PY_LONG_LONG) ((PyLongObject*)x)->ob_digit[0]; } } #endif #endif if (unlikely(Py_SIZE(x) < 0)) { PyErr_SetString(PyExc_OverflowError, "can't convert negative value to signed PY_LONG_LONG"); return (signed PY_LONG_LONG)-1; } return (signed PY_LONG_LONG)PyLong_AsUnsignedLongLong(x); } else { #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS if (sizeof(digit) <= sizeof(signed PY_LONG_LONG)) { switch (Py_SIZE(x)) { case 0: return 0; case 1: return +(signed PY_LONG_LONG) ((PyLongObject*)x)->ob_digit[0]; case -1: return -(signed PY_LONG_LONG) ((PyLongObject*)x)->ob_digit[0]; } } #endif #endif return (signed PY_LONG_LONG)PyLong_AsLongLong(x); } } else { signed PY_LONG_LONG val; PyObject *tmp = __Pyx_PyNumber_Int(x); if (!tmp) return (signed PY_LONG_LONG)-1; val = __Pyx_PyInt_AsSignedLongLong(tmp); Py_DECREF(tmp); return val; } } static int __pyx_typeinfo_cmp(__Pyx_TypeInfo *a, __Pyx_TypeInfo *b) { int i; if (!a || !b) return 0; if (a == b) return 1; if (a->size != b->size || a->typegroup != b->typegroup || a->is_unsigned != b->is_unsigned || a->ndim != b->ndim) { if (a->typegroup == 'H' || b->typegroup == 'H') { return a->size == b->size; } else { return 0; } } if (a->ndim) { for (i = 0; i < a->ndim; i++) if (a->arraysize[i] != b->arraysize[i]) return 0; } if (a->typegroup == 'S') { if (a->flags != b->flags) return 0; if (a->fields || b->fields) { if (!(a->fields && b->fields)) return 0; for (i = 0; a->fields[i].type && b->fields[i].type; i++) { __Pyx_StructField *field_a = a->fields + i; __Pyx_StructField *field_b = b->fields + i; if (field_a->offset != field_b->offset || !__pyx_typeinfo_cmp(field_a->type, field_b->type)) return 0; } return !a->fields[i].type && !b->fields[i].type; } } return 1; } static int __pyx_check_strides(Py_buffer *buf, int dim, int ndim, int spec) { if (buf->shape[dim] <= 1) return 1; if (buf->strides) { if (spec & __Pyx_MEMVIEW_CONTIG) { if (spec & (__Pyx_MEMVIEW_PTR|__Pyx_MEMVIEW_FULL)) { if (buf->strides[dim] != sizeof(void *)) { PyErr_Format(PyExc_ValueError, "Buffer is not indirectly contiguous " "in dimension %d.", dim); goto fail; } } else if (buf->strides[dim] != buf->itemsize) { PyErr_SetString(PyExc_ValueError, "Buffer and memoryview are not contiguous " "in the same dimension."); goto fail; } } if (spec & __Pyx_MEMVIEW_FOLLOW) { Py_ssize_t stride = buf->strides[dim]; if (stride < 0) stride = -stride; if (stride < buf->itemsize) { PyErr_SetString(PyExc_ValueError, "Buffer and memoryview are not contiguous " "in the same dimension."); goto fail; } } } else { if (spec & __Pyx_MEMVIEW_CONTIG && dim != ndim - 1) { PyErr_Format(PyExc_ValueError, "C-contiguous buffer is not contiguous in " "dimension %d", dim); goto fail; } else if (spec & (__Pyx_MEMVIEW_PTR)) { PyErr_Format(PyExc_ValueError, "C-contiguous buffer is not indirect in " "dimension %d", dim); goto fail; } else if (buf->suboffsets) { PyErr_SetString(PyExc_ValueError, "Buffer exposes suboffsets but no strides"); goto fail; } } return 1; fail: return 0; } static int __pyx_check_suboffsets(Py_buffer *buf, int dim, CYTHON_UNUSED int ndim, int spec) { if (spec & __Pyx_MEMVIEW_DIRECT) { if (buf->suboffsets && buf->suboffsets[dim] >= 0) { PyErr_Format(PyExc_ValueError, "Buffer not compatible with direct access " "in dimension %d.", dim); goto fail; } } if (spec & __Pyx_MEMVIEW_PTR) { if (!buf->suboffsets || (buf->suboffsets && buf->suboffsets[dim] < 0)) { PyErr_Format(PyExc_ValueError, "Buffer is not indirectly accessisble " "in dimension %d.", dim); goto fail; } } return 1; fail: return 0; } static int __pyx_verify_contig(Py_buffer *buf, int ndim, int c_or_f_flag) { int i; if (c_or_f_flag & __Pyx_IS_F_CONTIG) { Py_ssize_t stride = 1; for (i = 0; i < ndim; i++) { if (stride * buf->itemsize != buf->strides[i] && buf->shape[i] > 1) { PyErr_SetString(PyExc_ValueError, "Buffer not fortran contiguous."); goto fail; } stride = stride * buf->shape[i]; } } else if (c_or_f_flag & __Pyx_IS_C_CONTIG) { Py_ssize_t stride = 1; for (i = ndim - 1; i >- 1; i--) { if (stride * buf->itemsize != buf->strides[i] && buf->shape[i] > 1) { PyErr_SetString(PyExc_ValueError, "Buffer not C contiguous."); goto fail; } stride = stride * buf->shape[i]; } } return 1; fail: return 0; } static int __Pyx_ValidateAndInit_memviewslice( int *axes_specs, int c_or_f_flag, int buf_flags, int ndim, __Pyx_TypeInfo *dtype, __Pyx_BufFmt_StackElem stack[], __Pyx_memviewslice *memviewslice, PyObject *original_obj) { struct __pyx_memoryview_obj *memview, *new_memview; __Pyx_RefNannyDeclarations Py_buffer *buf; int i, spec = 0, retval = -1; __Pyx_BufFmt_Context ctx; int from_memoryview = __pyx_memoryview_check(original_obj); __Pyx_RefNannySetupContext("ValidateAndInit_memviewslice", 0); if (from_memoryview && __pyx_typeinfo_cmp(dtype, ((struct __pyx_memoryview_obj *) original_obj)->typeinfo)) { memview = (struct __pyx_memoryview_obj *) original_obj; new_memview = NULL; } else { memview = (struct __pyx_memoryview_obj *) __pyx_memoryview_new( original_obj, buf_flags, 0, dtype); new_memview = memview; if (unlikely(!memview)) goto fail; } buf = &memview->view; if (buf->ndim != ndim) { PyErr_Format(PyExc_ValueError, "Buffer has wrong number of dimensions (expected %d, got %d)", ndim, buf->ndim); goto fail; } if (new_memview) { __Pyx_BufFmt_Init(&ctx, stack, dtype); if (!__Pyx_BufFmt_CheckString(&ctx, buf->format)) goto fail; } if ((unsigned) buf->itemsize != dtype->size) { PyErr_Format(PyExc_ValueError, "Item size of buffer (%" CYTHON_FORMAT_SSIZE_T "u byte%s) " "does not match size of '%s' (%" CYTHON_FORMAT_SSIZE_T "u byte%s)", buf->itemsize, (buf->itemsize > 1) ? "s" : "", dtype->name, dtype->size, (dtype->size > 1) ? "s" : ""); goto fail; } for (i = 0; i < ndim; i++) { spec = axes_specs[i]; if (!__pyx_check_strides(buf, i, ndim, spec)) goto fail; if (!__pyx_check_suboffsets(buf, i, ndim, spec)) goto fail; } if (buf->strides && !__pyx_verify_contig(buf, ndim, c_or_f_flag)) goto fail; if (unlikely(__Pyx_init_memviewslice(memview, ndim, memviewslice, new_memview != NULL) == -1)) { goto fail; } retval = 0; goto no_fail; fail: Py_XDECREF(new_memview); retval = -1; no_fail: __Pyx_RefNannyFinishContext(); return retval; } static CYTHON_INLINE __Pyx_memviewslice __Pyx_PyObject_to_MemoryviewSlice_ds_double(PyObject *obj) { __Pyx_memviewslice result = { 0, 0, { 0 }, { 0 }, { 0 } }; __Pyx_BufFmt_StackElem stack[1]; int axes_specs[] = { (__Pyx_MEMVIEW_DIRECT | __Pyx_MEMVIEW_STRIDED) }; int retcode; if (obj == Py_None) { result.memview = (struct __pyx_memoryview_obj *) Py_None; return result; } retcode = __Pyx_ValidateAndInit_memviewslice(axes_specs, 0, PyBUF_RECORDS, 1, &__Pyx_TypeInfo_double, stack, &result, obj); if (unlikely(retcode == -1)) goto __pyx_fail; return result; __pyx_fail: result.memview = NULL; result.data = NULL; return result; } static CYTHON_INLINE __Pyx_memviewslice __Pyx_PyObject_to_MemoryviewSlice_ds_int(PyObject *obj) { __Pyx_memviewslice result = { 0, 0, { 0 }, { 0 }, { 0 } }; __Pyx_BufFmt_StackElem stack[1]; int axes_specs[] = { (__Pyx_MEMVIEW_DIRECT | __Pyx_MEMVIEW_STRIDED) }; int retcode; if (obj == Py_None) { result.memview = (struct __pyx_memoryview_obj *) Py_None; return result; } retcode = __Pyx_ValidateAndInit_memviewslice(axes_specs, 0, PyBUF_RECORDS, 1, &__Pyx_TypeInfo_int, stack, &result, obj); if (unlikely(retcode == -1)) goto __pyx_fail; return result; __pyx_fail: result.memview = NULL; result.data = NULL; return result; } static int __Pyx_check_binary_version(void) { char ctversion[4], rtversion[4]; PyOS_snprintf(ctversion, 4, "%d.%d", PY_MAJOR_VERSION, PY_MINOR_VERSION); PyOS_snprintf(rtversion, 4, "%s", Py_GetVersion()); if (ctversion[0] != rtversion[0] || ctversion[2] != rtversion[2]) { char message[200]; PyOS_snprintf(message, sizeof(message), "compiletime version %s of module '%.100s' " "does not match runtime version %s", ctversion, __Pyx_MODULE_NAME, rtversion); #if PY_VERSION_HEX < 0x02050000 return PyErr_Warn(NULL, message); #else return PyErr_WarnEx(NULL, message, 1); #endif } return 0; } #ifndef __PYX_HAVE_RT_ImportModule #define __PYX_HAVE_RT_ImportModule static PyObject *__Pyx_ImportModule(const char *name) { PyObject *py_name = 0; PyObject *py_module = 0; py_name = __Pyx_PyIdentifier_FromString(name); if (!py_name) goto bad; py_module = PyImport_Import(py_name); Py_DECREF(py_name); return py_module; bad: Py_XDECREF(py_name); return 0; } #endif #ifndef __PYX_HAVE_RT_ImportType #define __PYX_HAVE_RT_ImportType static PyTypeObject *__Pyx_ImportType(const char *module_name, const char *class_name, size_t size, int strict) { PyObject *py_module = 0; PyObject *result = 0; PyObject *py_name = 0; char warning[200]; Py_ssize_t basicsize; #ifdef Py_LIMITED_API PyObject *py_basicsize; #endif py_module = __Pyx_ImportModule(module_name); if (!py_module) goto bad; py_name = __Pyx_PyIdentifier_FromString(class_name); if (!py_name) goto bad; result = PyObject_GetAttr(py_module, py_name); Py_DECREF(py_name); py_name = 0; Py_DECREF(py_module); py_module = 0; if (!result) goto bad; if (!PyType_Check(result)) { PyErr_Format(PyExc_TypeError, "%s.%s is not a type object", module_name, class_name); goto bad; } #ifndef Py_LIMITED_API basicsize = ((PyTypeObject *)result)->tp_basicsize; #else py_basicsize = PyObject_GetAttrString(result, "__basicsize__"); if (!py_basicsize) goto bad; basicsize = PyLong_AsSsize_t(py_basicsize); Py_DECREF(py_basicsize); py_basicsize = 0; if (basicsize == (Py_ssize_t)-1 && PyErr_Occurred()) goto bad; #endif if (!strict && (size_t)basicsize > size) { PyOS_snprintf(warning, sizeof(warning), "%s.%s size changed, may indicate binary incompatibility", module_name, class_name); #if PY_VERSION_HEX < 0x02050000 if (PyErr_Warn(NULL, warning) < 0) goto bad; #else if (PyErr_WarnEx(NULL, warning, 0) < 0) goto bad; #endif } else if ((size_t)basicsize != size) { PyErr_Format(PyExc_ValueError, "%s.%s has the wrong size, try recompiling", module_name, class_name); goto bad; } return (PyTypeObject *)result; bad: Py_XDECREF(py_module); Py_XDECREF(result); return NULL; } #endif static int __pyx_bisect_code_objects(__Pyx_CodeObjectCacheEntry* entries, int count, int code_line) { int start = 0, mid = 0, end = count - 1; if (end >= 0 && code_line > entries[end].code_line) { return count; } while (start < end) { mid = (start + end) / 2; if (code_line < entries[mid].code_line) { end = mid; } else if (code_line > entries[mid].code_line) { start = mid + 1; } else { return mid; } } if (code_line <= entries[mid].code_line) { return mid; } else { return mid + 1; } } static PyCodeObject *__pyx_find_code_object(int code_line) { PyCodeObject* code_object; int pos; if (unlikely(!code_line) || unlikely(!__pyx_code_cache.entries)) { return NULL; } pos = __pyx_bisect_code_objects(__pyx_code_cache.entries, __pyx_code_cache.count, code_line); if (unlikely(pos >= __pyx_code_cache.count) || unlikely(__pyx_code_cache.entries[pos].code_line != code_line)) { return NULL; } code_object = __pyx_code_cache.entries[pos].code_object; Py_INCREF(code_object); return code_object; } static void __pyx_insert_code_object(int code_line, PyCodeObject* code_object) { int pos, i; __Pyx_CodeObjectCacheEntry* entries = __pyx_code_cache.entries; if (unlikely(!code_line)) { return; } if (unlikely(!entries)) { entries = (__Pyx_CodeObjectCacheEntry*)PyMem_Malloc(64*sizeof(__Pyx_CodeObjectCacheEntry)); if (likely(entries)) { __pyx_code_cache.entries = entries; __pyx_code_cache.max_count = 64; __pyx_code_cache.count = 1; entries[0].code_line = code_line; entries[0].code_object = code_object; Py_INCREF(code_object); } return; } pos = __pyx_bisect_code_objects(__pyx_code_cache.entries, __pyx_code_cache.count, code_line); if ((pos < __pyx_code_cache.count) && unlikely(__pyx_code_cache.entries[pos].code_line == code_line)) { PyCodeObject* tmp = entries[pos].code_object; entries[pos].code_object = code_object; Py_DECREF(tmp); return; } if (__pyx_code_cache.count == __pyx_code_cache.max_count) { int new_max = __pyx_code_cache.max_count + 64; entries = (__Pyx_CodeObjectCacheEntry*)PyMem_Realloc( __pyx_code_cache.entries, new_max*sizeof(__Pyx_CodeObjectCacheEntry)); if (unlikely(!entries)) { return; } __pyx_code_cache.entries = entries; __pyx_code_cache.max_count = new_max; } for (i=__pyx_code_cache.count; i>pos; i--) { entries[i] = entries[i-1]; } entries[pos].code_line = code_line; entries[pos].code_object = code_object; __pyx_code_cache.count++; Py_INCREF(code_object); } #include "compile.h" #include "frameobject.h" #include "traceback.h" static PyCodeObject* __Pyx_CreateCodeObjectForTraceback( const char *funcname, int c_line, int py_line, const char *filename) { PyCodeObject *py_code = 0; PyObject *py_srcfile = 0; PyObject *py_funcname = 0; #if PY_MAJOR_VERSION < 3 py_srcfile = PyString_FromString(filename); #else py_srcfile = PyUnicode_FromString(filename); #endif if (!py_srcfile) goto bad; if (c_line) { #if PY_MAJOR_VERSION < 3 py_funcname = PyString_FromFormat( "%s (%s:%d)", funcname, __pyx_cfilenm, c_line); #else py_funcname = PyUnicode_FromFormat( "%s (%s:%d)", funcname, __pyx_cfilenm, c_line); #endif } else { #if PY_MAJOR_VERSION < 3 py_funcname = PyString_FromString(funcname); #else py_funcname = PyUnicode_FromString(funcname); #endif } if (!py_funcname) goto bad; py_code = __Pyx_PyCode_New( 0, /*int argcount,*/ 0, /*int kwonlyargcount,*/ 0, /*int nlocals,*/ 0, /*int stacksize,*/ 0, /*int flags,*/ __pyx_empty_bytes, /*PyObject *code,*/ __pyx_empty_tuple, /*PyObject *consts,*/ __pyx_empty_tuple, /*PyObject *names,*/ __pyx_empty_tuple, /*PyObject *varnames,*/ __pyx_empty_tuple, /*PyObject *freevars,*/ __pyx_empty_tuple, /*PyObject *cellvars,*/ py_srcfile, /*PyObject *filename,*/ py_funcname, /*PyObject *name,*/ py_line, /*int firstlineno,*/ __pyx_empty_bytes /*PyObject *lnotab*/ ); Py_DECREF(py_srcfile); Py_DECREF(py_funcname); return py_code; bad: Py_XDECREF(py_srcfile); Py_XDECREF(py_funcname); return NULL; } static void __Pyx_AddTraceback(const char *funcname, int c_line, int py_line, const char *filename) { PyCodeObject *py_code = 0; PyObject *py_globals = 0; PyFrameObject *py_frame = 0; py_code = __pyx_find_code_object(c_line ? c_line : py_line); if (!py_code) { py_code = __Pyx_CreateCodeObjectForTraceback( funcname, c_line, py_line, filename); if (!py_code) goto bad; __pyx_insert_code_object(c_line ? c_line : py_line, py_code); } py_globals = PyModule_GetDict(__pyx_m); if (!py_globals) goto bad; py_frame = PyFrame_New( PyThreadState_GET(), /*PyThreadState *tstate,*/ py_code, /*PyCodeObject *code,*/ py_globals, /*PyObject *globals,*/ 0 /*PyObject *locals*/ ); if (!py_frame) goto bad; py_frame->f_lineno = py_line; PyTraceBack_Here(py_frame); bad: Py_XDECREF(py_code); Py_XDECREF(py_frame); } static int __Pyx_InitStrings(__Pyx_StringTabEntry *t) { while (t->p) { #if PY_MAJOR_VERSION < 3 if (t->is_unicode) { *t->p = PyUnicode_DecodeUTF8(t->s, t->n - 1, NULL); } else if (t->intern) { *t->p = PyString_InternFromString(t->s); } else { *t->p = PyString_FromStringAndSize(t->s, t->n - 1); } #else /* Python 3+ has unicode identifiers */ if (t->is_unicode | t->is_str) { if (t->intern) { *t->p = PyUnicode_InternFromString(t->s); } else if (t->encoding) { *t->p = PyUnicode_Decode(t->s, t->n - 1, t->encoding, NULL); } else { *t->p = PyUnicode_FromStringAndSize(t->s, t->n - 1); } } else { *t->p = PyBytes_FromStringAndSize(t->s, t->n - 1); } #endif if (!*t->p) return -1; ++t; } return 0; } static CYTHON_INLINE PyObject* __Pyx_PyUnicode_FromString(char* c_str) { return __Pyx_PyUnicode_FromStringAndSize(c_str, strlen(c_str)); } static CYTHON_INLINE char* __Pyx_PyObject_AsString(PyObject* o) { Py_ssize_t ignore; return __Pyx_PyObject_AsStringAndSize(o, &ignore); } static CYTHON_INLINE char* __Pyx_PyObject_AsStringAndSize(PyObject* o, Py_ssize_t *length) { #if __PYX_DEFAULT_STRING_ENCODING_IS_ASCII || __PYX_DEFAULT_STRING_ENCODING_IS_DEFAULT if ( #if PY_MAJOR_VERSION < 3 && __PYX_DEFAULT_STRING_ENCODING_IS_ASCII __Pyx_sys_getdefaultencoding_not_ascii && #endif PyUnicode_Check(o)) { #if PY_VERSION_HEX < 0x03030000 char* defenc_c; PyObject* defenc = _PyUnicode_AsDefaultEncodedString(o, NULL); if (!defenc) return NULL; defenc_c = PyBytes_AS_STRING(defenc); #if __PYX_DEFAULT_STRING_ENCODING_IS_ASCII { char* end = defenc_c + PyBytes_GET_SIZE(defenc); char* c; for (c = defenc_c; c < end; c++) { if ((unsigned char) (*c) >= 128) { PyUnicode_AsASCIIString(o); return NULL; } } } #endif /*__PYX_DEFAULT_STRING_ENCODING_IS_ASCII*/ *length = PyBytes_GET_SIZE(defenc); return defenc_c; #else /* PY_VERSION_HEX < 0x03030000 */ if (PyUnicode_READY(o) == -1) return NULL; #if __PYX_DEFAULT_STRING_ENCODING_IS_ASCII if (PyUnicode_IS_ASCII(o)) { *length = PyUnicode_GET_DATA_SIZE(o); return PyUnicode_AsUTF8(o); } else { PyUnicode_AsASCIIString(o); return NULL; } #else /* __PYX_DEFAULT_STRING_ENCODING_IS_ASCII */ return PyUnicode_AsUTF8AndSize(o, length); #endif /* __PYX_DEFAULT_STRING_ENCODING_IS_ASCII */ #endif /* PY_VERSION_HEX < 0x03030000 */ } else #endif /* __PYX_DEFAULT_STRING_ENCODING_IS_ASCII || __PYX_DEFAULT_STRING_ENCODING_IS_DEFAULT */ { char* result; int r = PyBytes_AsStringAndSize(o, &result, length); if (r < 0) { return NULL; } else { return result; } } } static CYTHON_INLINE int __Pyx_PyObject_IsTrue(PyObject* x) { int is_true = x == Py_True; if (is_true | (x == Py_False) | (x == Py_None)) return is_true; else return PyObject_IsTrue(x); } static CYTHON_INLINE PyObject* __Pyx_PyNumber_Int(PyObject* x) { PyNumberMethods *m; const char *name = NULL; PyObject *res = NULL; #if PY_MAJOR_VERSION < 3 if (PyInt_Check(x) || PyLong_Check(x)) #else if (PyLong_Check(x)) #endif return Py_INCREF(x), x; m = Py_TYPE(x)->tp_as_number; #if PY_MAJOR_VERSION < 3 if (m && m->nb_int) { name = "int"; res = PyNumber_Int(x); } else if (m && m->nb_long) { name = "long"; res = PyNumber_Long(x); } #else if (m && m->nb_int) { name = "int"; res = PyNumber_Long(x); } #endif if (res) { #if PY_MAJOR_VERSION < 3 if (!PyInt_Check(res) && !PyLong_Check(res)) { #else if (!PyLong_Check(res)) { #endif PyErr_Format(PyExc_TypeError, "__%s__ returned non-%s (type %.200s)", name, name, Py_TYPE(res)->tp_name); Py_DECREF(res); return NULL; } } else if (!PyErr_Occurred()) { PyErr_SetString(PyExc_TypeError, "an integer is required"); } return res; } static CYTHON_INLINE Py_ssize_t __Pyx_PyIndex_AsSsize_t(PyObject* b) { Py_ssize_t ival; PyObject* x = PyNumber_Index(b); if (!x) return -1; ival = PyInt_AsSsize_t(x); Py_DECREF(x); return ival; } static CYTHON_INLINE PyObject * __Pyx_PyInt_FromSize_t(size_t ival) { #if PY_VERSION_HEX < 0x02050000 if (ival <= LONG_MAX) return PyInt_FromLong((long)ival); else { unsigned char *bytes = (unsigned char *) &ival; int one = 1; int little = (int)*(unsigned char*)&one; return _PyLong_FromByteArray(bytes, sizeof(size_t), little, 0); } #else return PyInt_FromSize_t(ival); #endif } static CYTHON_INLINE size_t __Pyx_PyInt_AsSize_t(PyObject* x) { unsigned PY_LONG_LONG val = __Pyx_PyInt_AsUnsignedLongLong(x); if (unlikely(val != (unsigned PY_LONG_LONG)(size_t)val)) { if ((val != (unsigned PY_LONG_LONG)-1) || !PyErr_Occurred()) PyErr_SetString(PyExc_OverflowError, "value too large to convert to size_t"); return (size_t)-1; } return (size_t)val; } #endif /* Py_PYTHON_H */ PyMca5-5.2.2/PyMca5/PyMcaPhysics/xas/_xas/include/0000755000276300001750000000000013205526235021550 5ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/PyMcaPhysics/xas/_xas/include/bessel0.h0000644000276300001750000000247613136054446023272 0ustar solebliss00000000000000#/*########################################################################## # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ double j0Single(double); void j0Multiple(double *, int); PyMca5-5.2.2/PyMca5/PyMcaPhysics/xas/_xas/include/polspl.h0000644000276300001750000000256213136054446023242 0ustar solebliss00000000000000#/*########################################################################## # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ void polspl(double *, double *, double *, int, \ double *, double *, int *, int, double *, int); PyMca5-5.2.2/PyMca5/PyMcaPhysics/xas/_xas/src/0000755000276300001750000000000013205526235020714 5ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/PyMcaPhysics/xas/_xas/src/polspl.c0000644000276300001750000001244713136054446022404 0ustar solebliss00000000000000#/*########################################################################## # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ #include #include #include #include "polspl.h" #define POLABS(x) (x>0) ? x : -x void polspl(double *xx, double *yy, double *w, int npts, \ double *xl, double *xh, int *nc, int nr, \ double *c, int csize) /* c must have enough memory to host Sum(nc[i] * nr) */ { int i,j,ibl,k,nk,ik,m,n,n1,ns,ne,ncol,i1,ni,ni1,nm1,ns1; double df[26], a[36][37]; double t; double xk[10]; int p, nbs[11]; for (i=0; i < 26; i++) { df[i] = 0.0; } for (i=0; i < 11; i++) { nbs[i] = 0; } for (i=0; i < 10; i++) { xk[i] = 0.0; } for (i=0; i < 36; i++) { for (j=0; j < 37; j++) { a[i][j] = 0.0; } } n = 0; nbs[1] = 1; for(i=1; i < nr+1 ;i++){ n = n + nc[i]; nbs[i+1] = n + 1 ; if(xl[i] >= xh[i]){ t = xl[i]; xl[i] = xh[i]; xh[i] = t; } } n = n + 2 * (nr - 1); n1 = n + 1; xl[nr + 1] = 0.0; xh[nr + 1] = 0.0; for(ibl=1; ibl < nr + 1 ;ibl++){ xk[ibl] = 0.5 * (xh[ibl] + xl[ibl+1]); if(xl[ibl] > xl[ibl+1]) { xk[ibl] = 0.5 * (xl[ibl] + xh[ibl+1]); } ns = nbs[ibl]; ne = nbs[ibl+1] - 1; for(i=1; i < npts+1 ; i++){ if((xx[i] >= xl[ibl]) && (xx[i] <= xh[ibl])){ df[ns] = 1.0; ns1 = ns + 1; for(j=ns1; j #include "bessel0.h" void j0Multiple(double *x, int n) { int i; for (i=0; i < n; i++) { x[i] = j0Single(x[i]); } } double j0Single(double x) { double f0, theta0; double tmpDouble; double tmpDouble3; if (x < 0) x = -x; if (x > 3) { /* Abramowitz and Stegun 9.4.3 */ /* Absolute error < 1.6E-08 */ tmpDouble = 3. / x; tmpDouble3 = pow(tmpDouble, 3); f0 = 0.79788456 - tmpDouble * (0.00000077 + 0.00552740 * tmpDouble) + \ tmpDouble3 * ( 0.00137237 * tmpDouble - 0.00009513) + \ tmpDouble3 * (0.00014476 * tmpDouble3 - 0.00072805 * tmpDouble * tmpDouble); theta0 = x - 0.78539816 - 0.04166397 * tmpDouble - \ 0.00003954 * tmpDouble * tmpDouble + \ tmpDouble3 * (0.00262573 - 0.00054125 * tmpDouble) + \ tmpDouble3 * (0.00013558 * tmpDouble3 - 0.00029333 * tmpDouble * tmpDouble); return pow(x, -0.5) * f0 * cos(theta0); } else { /* Abramowitz and Stegun 9.4.1 */ /* Absolute error < 5.0E-08 */ tmpDouble = pow(x/3., 2); tmpDouble = 1.0 - 2.2499997 * tmpDouble + \ 1.2656208 * tmpDouble * tmpDouble - \ 0.3163866 * tmpDouble * tmpDouble * tmpDouble + \ 0.0444479 * tmpDouble * tmpDouble * tmpDouble * tmpDouble - \ 0.0039444 * tmpDouble * tmpDouble * tmpDouble * tmpDouble * tmpDouble + \ 0.0002100 * tmpDouble * tmpDouble * tmpDouble * tmpDouble * tmpDouble * tmpDouble; return tmpDouble; } } PyMca5-5.2.2/PyMca5/PyMcaPhysics/xas/XASStackBatch.py0000644000276300001750000003413013136054446022134 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" __doc__ = """ Module to process a stack of absorption spectra. """ import os import numpy import h5py import posixpath from PyMca5.PyMca import XASClass from PyMca5.PyMcaIO import ConfigDict import time DEBUG = 0 class XASStackBatch(object): def __init__(self, analyzer=None): if analyzer is None: analyzer = XASClass.XASClass() self._analyzer = analyzer def setConfiguration(self, configuration): if "XASParameters" in configuration: self._analyzer.setConfiguration(configuration["XASParameters"]) else: self._analyzer.setConfiguration(configuration) def setConfigurationFile(self, ffile): if not os.path.exists(ffile): raise IOError("File <%s> does not exists" % ffile) configuration = ConfigDict.ConfigDict() configuration.read(ffile) self.setConfiguration(configuration) def processMultipleSpectra(self, x, y, xmin=None, xmax=None, configuration=None, ysum=None, weight=None, mask=None, directory=None, name=None, entry=None): """ This method performs the actual work. :param x: 1D array containing the x axis (usually the channels) of the spectra. :param y: 3D array containing the spectra as [nrows, ncolumns, nchannels] :param weight: 0 Means no weight, 1 Use an average weight, 2 Individual weights (slow) :return: A dictionnary with the results as keys. """ if DEBUG: t0 = time.time() if configuration is not None: self._analyzer.setConfiguration(configuration) # read the current configuration config = self._analyzer.getConfiguration() # if weight is None: # dictated by the current configuration pass else: print("WARNING: weight not handled yet") weightPolicy = 0 # no weight #weightPolicy = 1 # use average weight from the sum spectrum #weightPolicy = 2 # individual pixel weights (slow) if hasattr(x, "value"): # hdf5 dataset x = x.value if hasattr(y, "info") and hasattr(y, "data"): data = y.data mcaIndex = y.info.get("McaIndex", -1) else: data = y mcaIndex = -1 if len(data.shape) != 3: txt = "For the time being only three dimensional arrays supported" raise IndexError(txt) if mcaIndex not in [-1, 2]: txt = "For the time being only mca arrays supported" raise IndexError(txt) firstSpectrum = None if ysum is not None: firstSpectrum = ysum if weightPolicy: # if the cumulated spectrum is present it should be better nRows = data.shape[0] nColumns = data.shape[1] nPixels = nRows * nColumns if ysum is not None: firstSpectrum = ysum elif weightPolicy == 1: # we need to calculate the sum spectrum to derive the uncertainties totalSpectra = data.shape[0] * data.shape[1] jStep = min(5000, data.shape[1]) ysum = numpy.zeros((data.shape[mcaIndex],), numpy.float) for i in range(0, data.shape[0]): if i == 0: chunk = numpy.zeros((data.shape[0], jStep), numpy.float) jStart = 0 while jStart < data.shape[1]: jEnd = min(jStart + jStep, data.shape[1]) ysum += data[i, jStart:jEnd, :].sum(axis=0, dtype=numpy.float) jStart = jEnd firstSpectrum = ysum else: firstSpectrum = data[0, :, :].sum(axis=0, dtype=numpy.float) if firstSpectrum is None: firstSpectrum = data[0, 0, :] # TODO: Check if only one X and it is well behaved in order to # avoid unnecessary calculation on each spectrum self._analyzer.setSpectrum(x, firstSpectrum) # initialize the output arrays ddict = self._analyzer.processSpectrum() # initialize the arrays from the first results entry0 = "PyMcaResults" usedEnergy = ddict["Energy"] usedMu = ddict["Mu"] normalizedIdx = (ddict["NormalizedEnergy"] >= ddict["NormalizedPlotMin"]) & \ (ddict["NormalizedEnergy"] <= ddict["NormalizedPlotMax"]) normalizedSpectrumX = ddict["NormalizedEnergy"][normalizedIdx] normalizedSpectrumY = ddict["NormalizedMu"][normalizedIdx] exafsIdx = (ddict["EXAFSKValues"] >= ddict["KMin"]) & \ (ddict["EXAFSKValues"] <= ddict["KMax"]) exafsSpectrumX = ddict["EXAFSKValues"][exafsIdx] exafsSpectrumY = ddict["EXAFSNormalized"][exafsIdx] xFT = ddict["FT"]["FTRadius"] yFT = ddict["FT"]["FTIntensity"] if directory is None: directory = os.getcwd() if name is None: name = "XAS_Result" fname = os.path.join(directory, name) if entry is None: entry = posixpath.join("xas_analysis") else: entry = posixpath.join(entry, "xas_analysis") if not fname.endswith(".h5"): fname = fname + ".h5" out = h5py.File(fname, "w") e0Path = posixpath.join(entry, "edge") jumpPath = posixpath.join(entry, "jump") spectrumXPath = posixpath.join(entry, "spectrum", "energy") spectrumYPath = posixpath.join(entry, "spectrum", "mu") normalizedXPath = posixpath.join(entry, "normalized", "energy") normalizedYPath = posixpath.join(entry, "normalized", "mu") exafsXPath = posixpath.join(entry, "exafs", "k") exafsYPath = posixpath.join(entry, "exafs", "signal") ftXPath = posixpath.join(entry, "FT", "Radius") ftYPath = posixpath.join(entry, "FT", "Intensity") ftImaginaryPath = posixpath.join(entry, "FT", "Imaginary") iXMin = 0 iXMax = data.shape[-1] - 1 e0 = out.require_dataset(e0Path, shape=data.shape[:-1], dtype=numpy.float32, chunks=None, compression=None) jump = out.require_dataset(jumpPath, shape=data.shape[:-1], dtype=numpy.float32, chunks=None, compression=None) shape = list(data.shape[:-1]) + [usedEnergy.size] spectrumX = out.require_dataset(spectrumXPath, shape=[usedEnergy.size], dtype=numpy.float32, chunks=None, compression=None) spectrumY = out.require_dataset(spectrumYPath, shape=shape, dtype=numpy.float32, chunks=None, compression=None) shape = list(data.shape[:-1]) + [normalizedSpectrumX.size] normalizedX = out.require_dataset(normalizedXPath, shape=[normalizedSpectrumX.size], dtype=numpy.float32, chunks=None, compression=None) normalizedY = out.require_dataset(normalizedYPath, shape=shape, dtype=numpy.float32, chunks=None, compression=None) shape = list(data.shape[:-1]) + [exafsSpectrumX.size] exafsX = out.require_dataset(exafsXPath, shape=[exafsSpectrumX.size], dtype=numpy.float32, chunks=None, compression=None) exafsY = out.require_dataset(exafsYPath, shape=shape, dtype=numpy.float32, chunks=None, compression=None) shape = list(data.shape[:-1]) + [xFT.size] ftX = out.require_dataset(ftXPath, shape=[xFT.size], dtype=numpy.float32, chunks=None, compression=None) ftY = out.require_dataset(ftYPath, shape=shape, dtype=numpy.float32, chunks=None, compression=None) ftImaginary = out.require_dataset(ftImaginaryPath, shape=shape, dtype=numpy.float32, chunks=None, compression=None) spectrumX[:] = ddict["Energy"] normalizedX[:] = ddict["NormalizedEnergy"][normalizedIdx] exafsX[:] = ddict["EXAFSKValues"][exafsIdx] ftX[:] = ddict["FT"]["FTRadius"] t0 = time.time() totalSpectra = data.shape[0] * data.shape[1] jStep = min(100, data.shape[1]) if weightPolicy == 2: SVD = False sigma_b = None elif weightPolicy == 1: # the +1 is to prevent misbehavior due to weights less than 1.0 sigma_b = 1 + numpy.sqrt(dummySpectrum)/nPixels SVD = True else: SVD = True sigma_b = None last_svd = None #for i in range(10): for i in range(0, data.shape[0]): #print(i) #chunks of nColumns spectra if i == 0: chunk = numpy.zeros((jStep, iXMax-iXMin+1), numpy.float) jStart = 0 j = 0 while jStart < data.shape[1]: jEnd = min(jStart + jStep, data.shape[1]) #chunk[:,:(jEnd - jStart)] = data[i, jStart:jEnd, iXMin:iXMax+1].T spectra = data[i, jStart:jEnd, iXMin:iXMax+1] nSpectra = spectra.shape[0] for spectrumNumber in range(nSpectra): if mask is not None: if mask[i, j] == 0: continue self._analyzer.setSpectrum(x, spectra[spectrumNumber]) ddict = self._analyzer.processSpectrum() spectrumY[i, j] = ddict["Mu"] e0[i, j] = ddict["Edge"] jump[i, j] = ddict["Jump"] #normalizedX[i, j] = ddict["NormalizedEnergy"][normalizedIdx] normalizedY[i, j] = ddict["NormalizedMu"][normalizedIdx] #exafsX[i, j] = ddict["EXAFSKValues"][exafsIdx] exafsY[i, j] = ddict["EXAFSNormalized"][exafsIdx] #ftX[i, j] = ddict["FT"]["FTRadius"] ftY[i, j] = ddict["FT"]["FTIntensity"] ftImaginary[i, j] = ddict["FT"]["FTImaginary"] j +=1 jStart = jEnd outputDict = {} outputDict["names"] = ["Jump", "Edge"] output = numpy.zeros((2, e0.shape[0], e0.shape[1]), dtype = e0.dtype) output[0, :] = jump.value output[1, :] = e0.value outputDict["images"] = output out.flush() out.close() if DEBUG: t = time.time() - t0 print("First fit elapsed = %f" % t) print("Spectra per second = %f" % (data.shape[0]*data.shape[1]/float(t))) t0 = time.time() return outputDict if __name__ == "__main__": DEBUG = 1 analyzer = XASClass.XASClass() instance = XASStackBatch(analyzer=analyzer) configurationFile = "test.ini" dataFile = h5py.File("testdata.h5", "r") for entry in dataFile: data = dataFile[entry]["data"] energy = dataFile[entry]["energy"] break instance.setConfigurationFile(configurationFile) instance.processMultipleSpectra(energy, data) dataFile.close() PyMca5-5.2.2/PyMca5/Object3D/0000755000276300001750000000000013205526235015421 5ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/Object3D/Object3DSlider.py0000644000276300001750000000745013136054446020544 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # This file is free software; you can redistribute it and/or modify it # under the terms of the GNU Lesser General Public License as published by the # Free Software Foundation; either version 2 of the License, or (at your option) # any later version. # # This file is distributed in the hope that it will be useful, but WITHOUT ANY # WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS # FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more # details. # # You should have received a copy of the GNU Lesser General Public # License along with this library; if not, write to the Free Software # Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA # # Please contact the ESRF industrial unit (industry@esrf.fr) if this license # is a problem for you. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "LGPL2+" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" from . import Object3DQt as qt QTVERSION = qt.qVersion() DEBUG = 0 class Object3DSlider(qt.QWidget): valueChanged = qt.pyqtSignal(float) def __init__(self, parent = None, orientation=qt.Qt.Horizontal): qt.QWidget.__init__(self, parent) if orientation == qt.Qt.Horizontal: alignment = qt.Qt.AlignHCenter | qt.Qt.AlignTop layout = qt.QHBoxLayout(self) else: alignment = qt.Qt.AlignVCenter | qt.Qt.AlignLeft layout = qt.QVBoxLayout(self) layout.setContentsMargins(0, 0, 0, 0) layout.setSpacing(0) self.slider = qt.QSlider(self) self.slider.setOrientation(orientation) self.label = qt.QLabel("0", self) self.label.setAlignment(alignment) self.label.setFixedWidth(self.label.fontMetrics().width('100.99')) layout.addWidget(self.slider) layout.addWidget(self.label) self.slider.valueChanged.connect(self.setNum) self.__factor = 100. def setNum(self, value): if self.__factor != 0.0: value = value / self.__factor self.label.setText('%.2f' % value) self.valueChanged.emit(value) def setRange(self, minValue, maxValue, increment=None): if increment is None: self.__factor = 201. else: self.__factor = (maxValue - minValue) / float(increment) self.slider.setRange(int(minValue * self.__factor), int(maxValue * self.__factor)) def setValue(self, value): self.slider.setValue(value * self.__factor) def value(self): if self.__factor != 0.0: return self.slider.value()/self.__factor else: return float(self.slider.value()) def minValue(self): if self.__factor != 0.0: return self.slider.minimum() / self.__factor else: return float(self.slider.minimum()) def maxValue(self): if self.__factor != 0.0: return self.slider.maximum() / self.__factor else: return float(self.slider.maximum()) def step(self): if self.__factor != 0.0: return self.slider.singleStep() / self.__factor else: return float(self.slider.singleStep()) def singleStep(self): return self.step() def test(): app = qt.QApplication([]) app.lastWindowClosed.connect(app.quit) w = Object3DSlider() w.show() app.exec_() if __name__ == "__main__": test() PyMca5-5.2.2/PyMca5/Object3D/Object3DCoordinates.py0000644000276300001750000002312313136054446021567 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # This file is free software; you can redistribute it and/or modify it # under the terms of the GNU Lesser General Public License as published by the # Free Software Foundation; either version 2 of the License, or (at your option) # any later version. # # This file is distributed in the hope that it will be useful, but WITHOUT ANY # WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS # FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more # details. # # You should have received a copy of the GNU Lesser General Public # License along with this library; if not, write to the Free Software # Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA # # Please contact the ESRF industrial unit (industry@esrf.fr) if this license # is a problem for you. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "LGPL2+" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import OpenGL.GL as GL import OpenGL.GLU as GLU import weakref class Object3DCoordinates(object): def __init__(self, parent, limits = None): """ The parent has to be a QGLWidget """ self.parent = weakref.proxy(parent) self.limits = limits self.drawX = True self.drawY = True self.drawZ = True self.delta = 0.1 def setLimits(self, limits): self.limits = limits def setFlags(self, xflag, yflag, zflag): self.drawX = xflag self.drawY = yflag self.drawZ = zflag def draw(self): if self.limits is None: return if self.drawX or self.drawY or self.drawZ: #get the viewport limits vlimits = self.convertToViewportLimits(self.limits) if self.drawX: self.drawXAxis(vlimits) if self.drawY: self.drawYAxis(vlimits) if self.drawZ: self.drawZAxis(vlimits) def convertToViewportLimits(self, limits): xmin, ymin, zmin = limits[0] xmax, ymax, zmax = limits[1] limits = [] limits.append(GLU.gluProject(xmin, ymin, zmin)) limits.append(GLU.gluProject(xmin, ymin, zmax)) limits.append(GLU.gluProject(xmin, ymax, zmin)) limits.append(GLU.gluProject(xmin, ymax, zmax)) limits.append(GLU.gluProject(xmax, ymin, zmin)) limits.append(GLU.gluProject(xmax, ymin, zmax)) limits.append(GLU.gluProject(xmax, ymax, zmin)) limits.append(GLU.gluProject(xmax, ymax, zmax)) lminx, lminy, lminz = limits[0] lmaxx, lmaxy, lmaxz = limits[0] for i in range(len(limits)): x, y, z = limits[i] if x < lminx: lminx = x elif x > lmaxx: lmaxx = x if y < lminy: lminy = y elif y > lmaxy: lmaxy = y if z < lminz: lminz = z elif z > lmaxz: lmaxz = z return [[lminx, lminy, lminz], [lmaxx, lmaxy, lmaxz]] def drawXAxis(self, vlimits): xmin, ymin, zmin = self.limits[0] xmax, ymax, zmax = self.limits[1] difference_vector = self.limits[1] - self.limits[0] deltax, deltay, deltaz = self.delta * (difference_vector) begin = [[xmin, ymin - deltay, zmin - deltaz], [xmin, ymax + deltay, zmin - deltaz], [xmin, ymin - deltay, zmax + deltaz], [xmin, ymax + deltay, zmax + deltaz]] end = [[xmax, ymin - deltay, zmin - deltaz], [xmax, ymax + deltay, zmin - deltaz], [xmax, ymin - deltay, zmax + deltaz], [xmax, ymax + deltay, zmax + deltaz]] X = [] for i in range(4): X.append([GLU.gluProject(*begin[i]), GLU.gluProject(*end[i])]) #print "0->0, 1", vlimits[0][0], vlimits[1][0] #print "1->0, 1", vlimits[0][1], vlimits[1][1] possible = [1, 1, 1, 1] i = 0 for item in X: if (item[0][0] > vlimits[0][0]) and (item[0][0] < vlimits[1][0]) and \ (item[0][1] > vlimits[0][1]) and (item[0][1] < vlimits[1][1]): possible[i] = 0 elif (item[1][0] > vlimits[0][0]) and (item[1][0] < vlimits[1][0]) and \ (item[1][1] > vlimits[0][1]) and (item[1][1] < vlimits[1][1]): possible[i] = 0 i += 1 #print "POSSIBLE = ", possible j = None for i in range(4): if possible[i]: if j is None: j = i else: if X[i][0][0] > X[j][0][0]: j = i if j is not None: i = j GL.glColor3f(0.5, 0.0, 0.0) #RED for X Axis self.parent.renderText(begin[i][0], begin[i][1], begin[i][2], "%.3f" % (begin[i][0]), self.parent.font(), 2000) self.parent.renderText(end[i][0], end[i][1], end[i][2], "%.3f" % (end[i][0]), self.parent.font(), 2000) return def drawYAxis(self, vlimits): xmin, ymin, zmin = self.limits[0] xmax, ymax, zmax = self.limits[1] difference_vector = self.limits[1] - self.limits[0] deltax, deltay, deltaz = self.delta * (difference_vector) begin = [[xmin - deltax, ymin, zmin - deltaz], [xmin - deltax, ymin, zmax + deltaz], [xmax + deltax, ymin, zmin - deltaz], [xmax + deltax, ymin, zmax + deltaz]] end = [[xmin - deltax, ymax, zmin - deltaz], [xmin - deltax, ymax, zmax + deltaz], [xmax + deltax, ymax, zmin - deltaz], [xmax + deltax, ymax, zmax + deltaz]] X = [] for i in range(4): X.append([GLU.gluProject(*begin[i]), GLU.gluProject(*end[i])]) possible = [1, 1, 1, 1] i = 0 for item in X: if (item[0][0] > vlimits[0][0]) and (item[0][0] < vlimits[1][0]) and \ (item[0][1] > vlimits[0][1]) and (item[0][1] < vlimits[1][1]): possible[i] = 0 elif (item[1][0] > vlimits[0][0]) and (item[1][0] < vlimits[1][0]) and \ (item[1][1] > vlimits[0][1]) and (item[1][1] < vlimits[1][1]): possible[i] = 0 i += 1 j = None for i in range(4): if possible[i]: if j is None: j = i else: if X[i][0][0] > X[j][0][0]: j = i if j is not None: i = j GL.glColor3f(0.0, 0.5, 0.0) #GREEN for Y Axis self.parent.renderText(begin[i][0], begin[i][1], begin[i][2], "%.3f" % (begin[i][1]), self.parent.font(), 2000) self.parent.renderText(end[i][0], end[i][1], end[i][2], "%.3f" % (end[i][1]), self.parent.font(), 2000) return def drawZAxis(self, vlimits): xmin, ymin, zmin = self.limits[0] xmax, ymax, zmax = self.limits[1] difference_vector = self.limits[1] - self.limits[0] deltax, deltay, deltaz = self.delta * (difference_vector) begin = [[xmin - deltax, ymin - deltay, zmin], [xmin - deltax, ymax + deltay, zmin], [xmax + deltax, ymin - deltay, zmin], [xmax + deltax, ymax + deltay, zmin]] end = [[xmin - deltax, ymin - deltay, zmax], [xmin - deltax, ymax + deltay, zmax], [xmax + deltax, ymin - deltay, zmax], [xmax + deltax, ymax + deltay, zmax]] X = [] for i in range(4): X.append([GLU.gluProject(*begin[i]), GLU.gluProject(*end[i])]) possible = [1, 1, 1, 1] i = 0 for item in X: if (item[0][0] > vlimits[0][0]) and (item[0][0] < vlimits[1][0]) and \ (item[0][1] > vlimits[0][1]) and (item[0][1] < vlimits[1][1]): possible[i] = 0 elif (item[1][0] > vlimits[0][0]) and (item[1][0] < vlimits[1][0]) and \ (item[1][1] > vlimits[0][1]) and (item[1][1] < vlimits[1][1]): possible[i] = 0 i += 1 j = None for i in range(4): if possible[i]: #if pow(pow(X[i][1][0] - X[i][0][0], 2) + pow(X[i][1][1] - X[i][0][1], 2),0.5) > 30: if j is None: j = i else: if X[i][0][0] > X[j][0][0]: j = i if j is not None: i = j GL.glColor3f(0.0, 0.0, 0.5) #BLUE for Z Axis self.parent.renderText(begin[i][0], begin[i][1], begin[i][2], "%.3f" % (begin[i][2]), self.parent.font(), 2000) self.parent.renderText(end[i][0], end[i][1], end[i][2], "%.3f" % (end[i][2]), self.parent.font(), 2000) return PyMca5-5.2.2/PyMca5/Object3D/Object3DPrivateConfig.py0000644000276300001750000000640113136054446022055 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2015 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # This file is free software; you can redistribute it and/or modify it # under the terms of the GNU Lesser General Public License as published by the # Free Software Foundation; either version 2 of the License, or (at your option) # any later version. # # This file is distributed in the hope that it will be useful, but WITHOUT ANY # WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS # FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more # details. # # You should have received a copy of the GNU Lesser General Public # License along with this library; if not, write to the Free Software # Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA # # Please contact the ESRF industrial unit (industry@esrf.fr) if this license # is a problem for you. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "LGPL2+" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" from . import Object3DQt as qt from .HorizontalSpacer import HorizontalSpacer from .VerticalSpacer import VerticalSpacer import weakref DEBUG = 0 class Object3DPrivateConfig(qt.QWidget): def __init__(self, parent = None, name=""): qt.QWidget.__init__(self, parent) self.setWindowTitle("%s private configuration" % name) self._configuration = {} self._configuration['widget'] = weakref.proxy(self) self.callBack = None self._name = name self.build() def __del__(self): if DEBUG: print("Object3DPrivateConfig %s deleted" % self._name) def build(self): self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(4, 4, 4, 4) self.mainLayout.setSpacing(4) self.button = qt.QPushButton(self) self.button.setText("Test Signal") self.mainLayout.addWidget(VerticalSpacer(self), 0, 0, 1, 3) self.mainLayout.addWidget(HorizontalSpacer(self), 1, 0) self.mainLayout.addWidget(self.button, 1, 1) self.mainLayout.addWidget(HorizontalSpacer(self), 1, 2) self.mainLayout.addWidget(VerticalSpacer(self), 2, 0, 1, 3) self.button.clicked.connect(self.updateCallBack) def setParameters(self, ddict): for key in ddict.keys(): if key in self._configuration: if key != 'widget': self._configuration[key].update(ddict[key]) self._updateWidget() return True def _updateWidget(self): return def getParameters(self): return self._configuration def setCallBack(self, f): self.callBack = f def updateCallBack(self): if self.callBack is not None: self.callBack() if __name__ == "__main__": import sys app = qt.QApplication(sys.argv) def myslot(): print("Callback called") w = Object3DPrivateConfig() w.setCallBack(myslot) w.show() app.exec_() PyMca5-5.2.2/PyMca5/Object3D/SceneGLWindow.py0000644000276300001750000007764413136054446020470 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2015 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # This file is free software; you can redistribute it and/or modify it # under the terms of the GNU Lesser General Public License as published by the # Free Software Foundation; either version 2 of the License, or (at your option) # any later version. # # This file is distributed in the hope that it will be useful, but WITHOUT ANY # WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS # FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more # details. # # You should have received a copy of the GNU Lesser General Public # License along with this library; if not, write to the Free Software # Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA # # Please contact the ESRF industrial unit (industry@esrf.fr) if this license # is a problem for you. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "LGPL2+" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import os import sys import numpy import weakref import glob import OpenGL.GL as GL import OpenGL.GLU as GLU #This is to simplify freezing try: from PyMca5.PyMcaIO import EDFStack from PyMca5 import spslut except: try: import EDFStack import spslut except: pass from . import Object3DCTools from . import Object3DQhull # End of freeze options #This hould be in PyMca, I put it here for the time being try: from .Object3DPlugins import Object3DMesh from .Object3DPlugins import Object3DStack except: pass #End of PyMca specific imports from . import Object3DConfig from . import SceneGLWidget qt=SceneGLWidget.qt from . import Object3DIcons #import Object3D from . import Object3DSlider from . import SceneControl from .HorizontalSpacer import HorizontalSpacer from .VerticalSpacer import VerticalSpacer from . import SceneManager from . import GLToolBar from . import Object3DPrintPreview from PyMca5.PyMcaGui import PyMcaFileDialogs if hasattr(qt, "QString"): qtQString = qt.QString else: qtQString = qt.safe_str DEBUG = 0 def getObject3DModules(directory=None): if directory is None: directory = os.path.dirname(SceneGLWidget.__file__) if (os.path.basename(directory) == 'library.zip') or\ SceneGLWidget.__file__.endswith('.exe'): #handle frozen versions directory = os.path.dirname(directory) if len(directory): directory = os.path.join(directory, "Object3DPlugins") else: directory = os.path.join(directory,".", "Object3DPlugins") if not os.path.exists(directory): raise IOError("Directory:\n%s\ndoes not exist." % directory) if directory not in sys.path: sys.path.append(directory) fileList = glob.glob(os.path.join(directory, "*.py")) moduleList = [] for module in fileList: try: m = __import__(os.path.basename(module)[:-3]) if hasattr(m, 'getObject3DInstance'): moduleList.append(m) except: if DEBUG: print("Problem importing module %s" % module) if not len(moduleList): raise IOError("No plugins found in directory %s" % directory) return moduleList class WheelAndSlider(qt.QWidget): def __init__(self, parent = None, orientation = qt.Qt.Horizontal): qt.QWidget.__init__(self, parent) if orientation == qt.Qt.Horizontal: self.mainLayout = qt.QHBoxLayout(self) else: orientation = qt.Qt.Vertical self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) #self.wheel = Qwt5.QwtWheel(self) #self.wheel.setOrientation(orientation) self.slider = Object3DSlider.Object3DSlider(self, orientation) if orientation == qt.Qt.Horizontal: #self.mainLayout.addWidget(self.wheel) self.mainLayout.addWidget(self.slider) else: self.mainLayout.addWidget(self.slider) #self.mainLayout.addWidget(self.wheel) class WheelAndLineEdit(qt.QWidget): def __init__(self, parent = None, orientation=qt.Qt.Horizontal): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QHBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.wheel = Object3DSlider.Object3DSlider(self, orientation) self.lineEdit = qt.QLineEdit(self) self.lineEdit.setText("") self.lineEdit.setReadOnly(True) self.mainLayout.addWidget(self.wheel) self.mainLayout.addWidget(self.lineEdit) class WheelAndSpacer(qt.QWidget): def __init__(self, parent = None, orientation = qt.Qt.Horizontal): qt.QWidget.__init__(self, parent) if orientation == qt.Qt.Horizontal: self.mainLayout = qt.QHBoxLayout(self) self.spacer = HorizontalSpacer(self) else: orientation = qt.Qt.Vertical self.mainLayout = qt.QVBoxLayout(self) self.spacer = VerticalSpacer(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.wheel = Object3DSlider.Object3DSlider(self, orientation) if orientation == qt.Qt.Horizontal: self.mainLayout.addWidget(self.wheel) self.mainLayout.addWidget(self.spacer) else: self.mainLayout.addWidget(self.spacer) self.mainLayout.addWidget(self.wheel) class SceneGLWindow(qt.QWidget): def __init__(self, parent=None, manager=None, printpreview=None): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QGridLayout(self) if printpreview is None: self.printPreview = Object3DPrintPreview.Object3DPrintPreview(modal = 0) else: self.printPreview = printpreview self.buildToolBar() self.wheelSlider10 = WheelAndSpacer(self, orientation = qt.Qt.Vertical) # Wheel self.__applyingCube = False #self.wheelSlider10.wheel.setMass(0.5) self.wheelSlider10.wheel.setRange(-360., 360., 0.5) self.wheelSlider10.wheel.setValue(0.0) #self.wheelSlider10.wheel.setTotalAngle(360.) self.wheelSlider10.wheel.valueChanged[float].connect(self.setTheta) self.glWidget = SceneGLWidget.SceneGLWidget(self) self.scene = weakref.proxy(self.glWidget.scene) self.glWidget.setObjectSelectionMode(True) self.wheelSlider12 = Object3DSlider.Object3DSlider(self, qt.Qt.Vertical) #self.axesObject = BlissGLAxesObject.BlissGLAxesObject("3D Axes") #self.glWidget.addObject3D(self.axesObject) #self.wheelSlider12.setScaleEngine(Qwt5.QwtLog10ScaleEngine()) #self.wheelSlider12.setThumbWidth(20) self.wheelSlider12.setRange(-10, 10, 0.05) #self.wheelSlider12.setScale(0.01, 100) self.wheelSlider12.setValue(0.0) #self.wheelSlider12.setScaleMaxMinor(10) self.wheelSlider12.valueChanged.connect(self.setZoomFactor) self.wheelSlider21 = WheelAndLineEdit(self, orientation = qt.Qt.Horizontal) #wheel #self.wheelSlider21.wheel.setMass(0.5) self.wheelSlider21.wheel.setRange(-360., 360., 0.5) self.wheelSlider21.wheel.setValue(0.0) #self.wheelSlider21.wheel.setTotalAngle(360.) self.infoLine = self.wheelSlider21.lineEdit self.infoLine.setText("Scene is in object selection mode.") self.wheelSlider21.wheel.valueChanged.connect(self.setPhi) self.mainLayout.addWidget(self.toolBar, 0, 1) self.mainLayout.addWidget(self.wheelSlider10, 1, 0) self.mainLayout.addWidget(self.glWidget, 1, 1) self.mainLayout.addWidget(self.wheelSlider12, 1, 2) self.mainLayout.addWidget(self.wheelSlider21, 2, 1) if manager is None: self.manager = SceneManager.SceneManager(None, glwindow=self) self.sceneControl=self.manager.sceneControl #self.sceneControl = SceneControl.SceneControl(None, self.glWidget.scene) #self.manager.sceneControl self.connectSceneControl() #self.manager.show() #self.sceneControl.show() self.manager.sigSceneManagerSignal.connect(self.sceneManagerSlot) else: self.manager=weakref.proxy(manager) self.activeObject = None self.glWidget.sigObjectSelected.connect(self.objectSelectedSlot) self.glWidget.sigVertexSelected.connect(self.vertexSelectedSlot) self.setWindowTitle("Object3D Scene") def connectSceneControl(self): self.selectedObjectControl = self.sceneControl.selectedObjectControl self.sceneControl.updateView() self.sceneControl.sigSceneControlSignal.connect(self.sceneControlSlot) self.selectedObjectControl.sigObject3DConfigSignal.connect(\ self.objectControlSlot) def buildToolBar(self): self.toolBar = GLToolBar.GLToolBar(self) self.toolBar.sigGLToolBarSignal.connect(self.applyCube) IconDict = Object3DIcons.IconDict self.normalIcon = qt.QIcon(qt.QPixmap(IconDict["cursor_normal"])) self.sizeallIcon = qt.QIcon(qt.QPixmap(IconDict["cursor_sizeall"])) self.pointingHandIcon = qt.QIcon(qt.QPixmap(IconDict["cursor_pointinghand"])) self.whatIcon = qt.QIcon(qt.QPixmap(IconDict["cursor_what"])) # the object selection toggle text = "Object selection Mode" text += "\nIt may be faster to select objects\n" text += "objects through the control window." tb = self._addToolButton(self.normalIcon, self.setObjectSelectionModeSlot, text, toggle = True, state = True) self.buttonObjectSelectionMode = tb self.objectSelectionMode = False # the vertex toggle tb = self._addToolButton(self.pointingHandIcon, self.setVertexSelectionModeSlot, "Vertex selection Mode", toggle = True, state = False) self.buttonVertexSelectionMode = tb self.vertexSelectionMode = False # the panning toggle tb = self._addToolButton(self.sizeallIcon, self.setScenePanningModeSlot, "Scene panning Mode", toggle = True, state = False) self.buttonScenePanningMode = tb self.scenePanningMode = False #give empty space spacer = HorizontalSpacer(self.toolBar) self.toolBar.layout().addWidget(spacer) #the possibility to load an object from a file self.controlIcon = qt.QIcon() tb = self._addToolButton(self.controlIcon, self.showSceneControlWindow, "Show control window") #the possibility to load an object from a file self.openIcon = qt.QIcon(qt.QPixmap(IconDict["file_open"])) tb = self._addToolButton(self.openIcon, self.addObjectFromFileDialog, "Add 3DObject from file") #the possibility to save a "photo" of the 3D scene self.saveIcon = qt.QIcon(qt.QPixmap(IconDict["file_save"])) tb = self._addToolButton(self.saveIcon, self.saveImage, "Save 3DScene to a file") #print the 3D scene self.printIcon = qt.QIcon(qt.QPixmap(IconDict["print"])) tb = self._addToolButton(self.printIcon, self.printWidget, "Print widget") def applyCube(self, ddict): if 'face' in ddict: position = self.scene.applyCube(ddict['face']) self.glWidget.setCurrentViewPosition(position) self.__applyingCube = True self.wheelSlider10.wheel.setValue(0.0) self.wheelSlider21.wheel.setValue(0.0) self.__applyingCube = False def setObjectSelectionModeSlot(self): self.vertexSelectionMode = False self.objectSelectionMode = True self.scenePanningMode = False self.buttonVertexSelectionMode.setChecked(self.vertexSelectionMode) self.buttonObjectSelectionMode.setChecked(self.objectSelectionMode) self.buttonScenePanningMode.setChecked(self.scenePanningMode) self.glWidget.setObjectSelectionMode(self.objectSelectionMode) self.glWidget.setVertexSelectionMode(self.vertexSelectionMode) self.glWidget.setCursor(qt.QCursor(qt.Qt.ArrowCursor)) text = "Scene is in object selection mode." current = self.scene.getSelectedObject() if current not in [None, self.scene.name()]: text += " Object %s currently selected." % current self.infoLine.setText(text) def setVertexSelectionModeSlot(self): self.vertexSelectionMode = True self.objectSelectionMode = False self.scenePanningMode = False self.buttonVertexSelectionMode.setChecked(self.vertexSelectionMode) self.buttonObjectSelectionMode.setChecked(self.objectSelectionMode) self.buttonScenePanningMode.setChecked(self.scenePanningMode) self.glWidget.setObjectSelectionMode(self.objectSelectionMode) self.glWidget.setVertexSelectionMode(self.vertexSelectionMode) #self.glWidget.setCursor(qt.QCursor(qt.Qt.WhatsThisCursor)) self.glWidget.setCursor(qt.QCursor(qt.Qt.PointingHandCursor)) current = self.scene.getSelectedObject() o3d = self.scene.getObject3DProxy(current) if current in [None, self.scene.name()]: text = ("Vertex selection mode is useless without a selected object.") elif not o3d.isVertexSelectionModeSupported(): text = "Object %s does not support vertex selection mode." % current else: text = ("Vertex selection mode for object %s." % current) self.infoLine.setText(text) def setScenePanningModeSlot(self): if self.scenePanningMode: # nothing to be done return self.vertexSelectionMode = False self.objectSelectionMode = False self.scenePanningMode = True self.buttonVertexSelectionMode.setChecked(self.vertexSelectionMode) self.buttonObjectSelectionMode.setChecked(self.objectSelectionMode) self.buttonScenePanningMode.setChecked(self.scenePanningMode) self.glWidget.setObjectSelectionMode(self.objectSelectionMode) self.glWidget.setVertexSelectionMode(self.vertexSelectionMode) self.glWidget.setCursor(qt.QCursor(qt.Qt.SizeAllCursor)) self.infoLine.setText("Scene is in panning mode.") def saveImage(self): filelist = PyMcaFileDialogs.getFileList( parent=self, filetypelist=["Image files (*.png)"], message="Please give output file name", mode="SAVE", getfilter=False) if len(filelist): self.glWidget.saveImage(filelist[0]) def printWidget(self): #pixmap = qt.QPixmap.grabWidget(self) #self.printPreview.addPixmap(pixmap) qimage = self.glWidget.getQImage() self.printPreview.addImage(qimage) if self.printPreview.isHidden(): self.printPreview.show() self.printPreview.raise_() def _addToolButton(self, icon, action, tip, toggle=None, state=None, position=None): tb = qt.QToolButton(self.toolBar) tb.setIcon(icon) tb.setToolTip(tip) if toggle is not None: if toggle: tb.setCheckable(1) if state is not None: if state: tb.setChecked(state) else: tb.setChecked(False) if position is not None: self.toolBar.mainLayout.insertWidget(position, tb) else: self.toolBar.mainLayout.addWidget(tb) if action is not None: # The action should not accept any parameter because # the [()] trick does not any longer work tb.clicked.connect(action) return tb def sceneManagerSlot(self, ddict): if DEBUG: print("sceneManagerSlot", ddict) if ddict['event'] == 'addObject': if ddict['object'] is not None: self.addObject(ddict['object'], ddict['legend']) else: self.addObjectFromFileDialog() elif ddict['event'] == 'configurationLoaded': theta, phi = self.scene.getThetaPhi() self.__applyingCube = True self.wheelSlider10.wheel.setValue(theta) self.wheelSlider21.wheel.setValue(phi) zoomFactor = self.scene.getZoomFactor() self.wheelSlider12.setValue(numpy.log(zoomFactor)/numpy.log(2)) self.__applyingCube = False else: if DEBUG: print("DOING NOTHING") def showSceneControlWindow(self): if self.manager is not None: self.manager.show() self.manager.raise_() def _getObject3D(self): moduleList = getObject3DModules() if not len(moduleList): return None actionList = [] menu = qt.QMenu(self) for m in moduleList: function = m.getObject3DInstance if hasattr(m, 'MENU_TEXT'): text = qtQString(m.MENU_TEXT) else: text = os.path.basename(m.__file__) if text.endswith('.pyc'): text = text[:-4] elif text.endswith('.py'): text = text[:-3] text = qtQString(text) menu.addAction(text) actionList.append(text) a = menu.exec_(qt.QCursor.pos()) if a is None: return None idx = actionList.index(a.text()) object3D = moduleList[idx].getObject3DInstance() return object3D def addObjectFromFileDialog(self): try: object3D = self._getObject3D() if object3D is not None: try: self.addObject(object3D, object3D.name()) except: self.addObject(object3D) except: qt.QMessageBox.critical(self, "Error adding object", "%s\n %s" % (sys.exc_info()[0], sys.exc_info()[1]), qt.QMessageBox.Ok | qt.QMessageBox.Default, qt.QMessageBox.NoButton) def sceneControlSlot(self, ddict): if DEBUG: print("sceneControlSlot", ddict) if ddict['event'] in ["objectSelected", "objectDeleted", "objectReplaced"]: ddict['legend'] = ddict['current'] self.objectSelectedSlot(ddict, update_scene=False) elif ddict['event'] in ["SceneLimitsChanged"]: if ddict['autoscale'] or self.scene.getAutoScale(): #force limits update self.scene.setAutoScale(True) self.scene.getLimits() self.sceneControl.updateView() self.glWidget.setZoomFactor(self.glWidget.getZoomFactor()) return #self.glWidget.updateGL() self.glWidget.setZoomFactor(self.glWidget.getZoomFactor()) def setSelectedObject(self, name, update_scene=True): self.objectSelectedSlot({'legend':name}, update_scene=update_scene) def objectSelectedSlot(self, ddict, update_scene=True): if DEBUG: print("objectSelectedSlot", ddict) if self.selectedObjectControl is None: self.selectedObjectControl = Object3DConfig.Object3DConfig() self.selectedObjectControl.sigObject3DConfigSignal.connect(\ self.objectControlSlot) # It is not necessary to show the manager if 0: if self.manager.isHidden(): self.manager.show() legend = ddict['legend'] if legend is None: return #Should I deselect object? self.activeObject = legend if update_scene: self.scene.setSelectedObject(self.activeObject) #print "BEFORE = ",self.scene.getSelectedObject() self.sceneControl.updateView() #print "AFTER = ",self.scene.getSelectedObject() #self.glWidget.objectsDict[legend]['object3D'].setSelected(True) configDict = self.scene[legend].root[0].getConfiguration() try: ddict['pointsizecapabilities'] = [self.glWidget._pointSizes[0], self.glWidget._pointSizes[-1], self.glWidget._pointSizeStep] ddict['linewidthcapabilities'] = [self.glWidget._lineWidths[0], self.glWidget._lineWidths[-1], self.glWidget._lineWidthStep] except: print("Error reading point and line capabilities. GL widget not initialized yet?") pass configDict['common'].update(ddict) self.selectedObjectControl.setWindowTitle(legend) self.selectedObjectControl.setConfiguration(configDict) self.selectedObjectControl.show() # This does not seem to be a problem any longer if 0: #make sure we do not mix modes self.setObjectSelectionModeSlot() text = "Object %s selected." % self.activeObject if 'event' in ddict: if ddict['event'] == "objectDeleted": text = ("Object %s deleted. " % ddict['previous']) + text self.infoLine.setText(text) if DEBUG: print("WHAT IS SCENE SAYING?") print("ACTIVE IS ", self.scene.getSelectedObject()) def objectControlSlot(self, ddict): if DEBUG: print("objectControlSlot", ddict) if self.activeObject is None: ndict = {} ndict['legend'] = self.scene.name() self.objectSelectedSlot(ndict, update_scene=True) self.activeObject = self.scene.name() legend = self.activeObject if legend not in self.scene.getObjectList(): self.selectedObjectControl.hide() return configDict = {'common':{}, 'private':{}} if 'private' in ddict: configDict['private'] = ddict['private'] oldScale = self.scene[legend].root[0].getConfiguration()['common']['scale'] configDict['common'].update(ddict['common']) self.scene[legend].root[0].setConfiguration(configDict) rootEvent = ddict.get('event', None) if legend == self.scene.name(): sceneEventProcessed = False if rootEvent is not None: if rootEvent in ['AspectUpdated', 'DrawModeUpdated']: # only properties passed to all objects are those related to drawing objectList = self.scene.getObjectList() i = 0 for o3dName in objectList: if o3dName == self.scene.name(): continue o3d = self.scene.getObject3DProxy(o3dName) cfg = {} cfg['common'] = o3d.getConfiguration()['common'] for key in ['pointsize', 'linewidth', 'transparency', 'mode']: if key in ['mode']: #drawing mode changed only if explicetly requested if rootEvent in ['DrawModeUpdated']: cfg['common'][key] = ddict['common'][key] else: cfg['common'][key] = ddict['common'][key] o3d.setConfiguration(cfg) sceneEventProcessed = True #self.scene[legend].root[0].setConfiguration(configDict) #self.selectedObjectControl.setConfiguration(configDict) if not sceneEventProcessed: if 'common' in ddict: if 'event' in ddict['common']: if ddict['common']['event'] == 'ColormapChanged': #print scene colormap changed newColormap = ddict['common']['colormap'] objectList = self.scene.getObjectList() i = 0 for o3dName in objectList: if o3dName == self.scene.name(): continue o3d = self.scene.getObject3DProxy(o3dName) cfg = {} cfg['common'] = o3d.getConfiguration()['common'] minCmap = cfg['common']['colormap'][4] maxCmap = cfg['common']['colormap'][5] if (i == 0) or (newColormap[4] > minCmap): newColormap[4] = minCmap if (i == 0) or (newColormap[5] > maxCmap): newColormap[5] = maxCmap i = 1 cfg['common']['colormap'][0:4] = newColormap[0:4] cfg['common']['colormap'][-1] = newColormap[-1] cfg['common']['event'] = ddict['common']['event'] o3d.setConfiguration(cfg) #this is to get the proper limits for the scene configDict['common']['colormap'] = newColormap del configDict['common']['event'] cfg = self.scene[legend].root[0].getConfiguration() cfg['common']['colormap'] = newColormap self.scene[legend].root[0].setConfiguration(cfg) self.selectedObjectControl.setConfiguration(cfg) if legend == self.scene.name() or self.scene.getAutoScale(): newScale = self.scene[legend].root[0].getConfiguration()['common']['scale'] if newScale != oldScale: #force cube calculation if self.scene.getAutoScale(): self.scene.getLimits() self.sceneControl.updateView() position=self.scene.applyCube() self.glWidget.setCurrentViewPosition(position, rotation_reset=False) return self.glWidget.cacheUpdateGL() def vertexSelectedSlot(self, ddict): self.infoLine.setText(ddict['info']) def setZoomFactor(self, value): if self.__applyingCube: return self.glWidget.setZoomFactor(pow(2, value)) self.wheelSlider12.label.setText("%.2f" % pow(2, value)) def normalizeAngle(self, angle): while angle < 0: angle += 360 angle = angle % 360 return angle def setPhi(self, value): if self.__applyingCube: return value = self.normalizeAngle(value) theta, phi = self.scene.getThetaPhi() if value != phi: self.scene.setThetaPhi(theta, value) self.glWidget.cacheUpdateGL() def setTheta(self, value): if self.__applyingCube: return value = self.normalizeAngle(value) theta, phi = self.scene.getThetaPhi() if value != theta: self.scene.setThetaPhi(value, phi) self.glWidget.cacheUpdateGL() def selectObject(self): if self.glWidget.objectSelectionMode(): self.glWidget.setObjectSelectionMode(False) else: self.glWidget.setObjectSelectionMode(True) def selectVertex(self): if self.glWidget.vertexSelectionMode(): self.glWidget.setVertexSelectionMode(False) else: self.glWidget.setVertexSelectionMode(True) def setAlpha(self, value): self.glWidget.setSelectedObjectAlpha(value/10.) #self.glWidget.updateGL() self.glWidget.setZoomFactor(self.glWidget.getZoomFactor()) def addObject(self, ob, legend = None, update_scene=True): self.sceneControl.scene.addObject(ob, legend) self.sceneControl.scene.getLimits() self.sceneControl.updateView() if self.activeObject in [None, 'None']: ndict = {} if 0: #the default is the scene ndict['legend'] = self.scene.name() else: #the default is the selected object ndict['legend'] = legend self.objectSelectedSlot(ndict, update_scene=update_scene) self.scene.setSelectedObject(self.activeObject) if update_scene: self.glWidget.setZoomFactor(self.glWidget.getZoomFactor()) def removeObject(self, legend, update_scene=True): if self.activeObject == legend: self.activeObject = None self.sceneControl.scene.removeObject(legend) self.sceneControl.scene.getLimits() self.sceneControl.updateView() if update_scene: self.glWidget.setZoomFactor(self.glWidget.getZoomFactor()) def clear(self, update_scene=True): self.activeObject = None self.sceneControl.scene.clearTree() self.sceneControl.scene.getLimits() self.sceneControl.updateView() if update_scene: self.glWidget.setZoomFactor(self.glWidget.getZoomFactor()) def closeEvent(self, event): objectList = self.scene.getObjectList() for object3D in objectList: if object3D == "Scene": continue self.scene.removeObject(object3D) self.manager.close() self.glWidget.close() # This is needed to force the destruction of the Object3D(s) del self.manager #del self.scene qt.QWidget.closeEvent(self, event) if __name__ == '__main__': import sys import Object3DBase app = qt.QApplication(sys.argv) window = SceneGLWindow() window.show() if 0: class MyObject(Object3DBase.Object3D): def drawObject(self): #GL.glShadeModel(GL.GL_FLAT) GL.glShadeModel(GL.GL_SMOOTH) #in order not to have just blue face GL.glBegin(GL.GL_TRIANGLE_STRIP) alpha = 1.0 - self._configuration['common']['transparency'] GL.glColor4f(1., 0., 0., alpha) # Red GL.glVertex3f(-25., 0., 0.) GL.glColor4f(0., 1., 0., alpha) # Green GL.glVertex3f(25., 0., 0.) GL.glColor4f(0., 0., 1., alpha) # Blue GL.glVertex3f(0, 25, 0.) GL.glEnd() ob3D1 = MyObject(name="Object1") ob3D1.setLimits(-25, 0.0, 0.0, 25, 25, 0.0) ob3D2 = MyObject(name="Object2") ob3D2.setLimits(-25, 0.0, 0.0, 25, 25, 0.0) #translate config = ob3D2.getConfiguration() config['common']['translation'] = [0.0, 0.0, 0.0] ob3D2.setConfiguration(config) window.setWindowTitle('Object3D Window') window.addObject(ob3D1, "Object1") window.addObject(ob3D2, "Object2") window.glWidget.setObjectSelectionMode(True) window.show() window.glWidget.setZoomFactor(1.0) sys.exit(app.exec_()) PyMca5-5.2.2/PyMca5/Object3D/SceneControl.py0000644000276300001750000001561713136054446020406 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # This file is free software; you can redistribute it and/or modify it # under the terms of the GNU Lesser General Public License as published by the # Free Software Foundation; either version 2 of the License, or (at your option) # any later version. # # This file is distributed in the hope that it will be useful, but WITHOUT ANY # WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS # FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more # details. # # You should have received a copy of the GNU Lesser General Public # License along with this library; if not, write to the Free Software # Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA # # Please contact the ESRF industrial unit (industry@esrf.fr) if this license # is a problem for you. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "LGPL2+" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys from . import Object3DQt as qt from . import Scene from . import SceneWidget from . import SceneCoordinates from . import Object3DMovement from . import Object3DConfig from .HorizontalSpacer import HorizontalSpacer from .VerticalSpacer import VerticalSpacer DEBUG = 0 class SceneControl(qt.QWidget): sigSceneControlSignal = qt.pyqtSignal(object) def __init__(self, parent = None, scene = None): qt.QWidget.__init__(self, parent) self.setWindowTitle('Scene Control Widget') if scene is None: self.scene = Scene.Scene(name='Scene') else: self.scene = scene self.mainLayout = qt.QHBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(0) self.sceneWidget = SceneWidget.SceneWidget(self, scene=self.scene) self.selectedObjectControl = Object3DConfig.Object3DConfig(self) self.mainTab = self.selectedObjectControl.mainTab self.tabScene = qt.QWidget(self.mainTab) self.tabScene.mainLayout = qt.QGridLayout(self.tabScene) self.tabScene.mainLayout.setContentsMargins(0, 0, 0, 0) self.tabScene.mainLayout.setSpacing(0) self.coordinatesWidget = SceneCoordinates.SceneCoordinates(self.tabScene) self.coordinatesWidget.observerWidget.hide() #self.movementsWidget = Object3DMovement.Object3DMovement(self.tabScene) #self.movementsWidget.anchorWidget.hide() self.tabScene.mainLayout.addWidget(self.coordinatesWidget, 0, 0) #self.tabScene.mainLayout.addWidget(self.movementsWidget, 1, 0) vspacer = VerticalSpacer(self.tabScene) self.tabScene.mainLayout.addWidget(vspacer, 2, 0) self.mainTab.addTab(self.tabScene, "SCENE") self.mainLayout.addWidget(self.sceneWidget) self.mainLayout.addWidget(self.selectedObjectControl) configDict = self.scene[self.scene.name()].root[0].getConfiguration() self.selectedObjectControl.setConfiguration(configDict) self.sceneWidget.sigSceneWidgetSignal.connect(self._sceneWidgetSignal) self.coordinatesWidget.sigSceneCoordinatesSignal.connect(\ self._sceneCoordinatesSlot) return self.movementsWidget.sigObject3DMovementSignal.connect(\ self._movementsSlot) def _sceneWidgetSignal(self, ddict): self.emitSignal(ddict['event'], ddict) def _movementsSlot(self, ddict): self.emitSignal(ddict['event'], ddict) def _sceneCoordinatesSlot(self, ddict): event = ddict['event'] if event == 'SceneAxesVectorsChanged': self.scene.setAxesVectors(ddict['u'], ddict['v'], ddict['w'], use=ddict['uvw']) if 1: objectList = self.scene.tree.getList() xmin, ymin, zmin, xmax, ymax, zmax = self.scene.getLimits() self.scene.setAutoScale(ddict['autoscale']) if ddict['autoscale']: ddict['xmin'] = xmin ddict['ymin'] = ymin ddict['zmin'] = zmin ddict['xmax'] = xmax ddict['ymax'] = ymax ddict['zmax'] = zmax self.coordinatesWidget.setParameters(ddict) else: xmin = ddict['xmin'] ymin = ddict['ymin'] zmin = ddict['zmin'] xmax = ddict['xmax'] ymax = ddict['ymax'] zmax = ddict['zmax'] self.scene.setLimits([xmin, ymin, zmin, xmax, ymax, zmax]) if ddict['autolocate']: diagonal2 = pow((xmax - xmin), 2) + pow((ymax - ymin), 2) + pow((zmax - zmin), 2) position = [xmin + diagonal2, ymin + diagonal2, zmin + diagonal2] ddict['observer'] = position self.coordinatesWidget.setParameters(ddict) self.emitSignal(ddict['event'], ddict) def emitSignal(self, event=None, ddict = None): if DEBUG: print("SceneControl emit signal ", ddict) if ddict is None: ddict = {} if event is not None: ddict['event'] = event self.sigSceneControlSignal.emit(ddict) def updateView(self): self.sceneWidget.updateView() xmin, ymin, zmin, xmax, ymax, zmax = self.scene.getLimits() autoscale = self.scene.getAutoScale() ddict = {} ddict['autoscale'] = autoscale ddict['xmin'] = xmin ddict['ymin'] = ymin ddict['zmin'] = zmin ddict['xmax'] = xmax ddict['ymax'] = ymax ddict['zmax'] = zmax self.coordinatesWidget.setParameters(ddict) if __name__ == "__main__": import Object3DBase app = qt.QApplication([]) w = SceneControl() def slot(ddict): print(" ddict = ", ddict) objectList = w.scene.tree.getList() selected = [] for item in objectList: if hasattr(item, 'name'): if hasattr(item, 'selected'): if item.selected(): selected.append(item.name()) print(selected) app.lastWindowClosed.connect(app.quit) w.sigSceneControlSignal.connect(slot) o0 = Object3DBase.Object3D("DummyObject0") o0.setLimits(-100, -200, -300, 100, 200, 300) o1 = Object3DBase.Object3D("DummyObject1") o01 = Object3DBase.Object3D("DummyObject01") w.scene.addObject(o0) w.scene.addObject(o1) w.scene.addObject(o01) w.show() w.updateView() app.exec_() PyMca5-5.2.2/PyMca5/Object3D/SceneTree.py0000644000276300001750000003410313136054446017654 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # This file is free software; you can redistribute it and/or modify it # under the terms of the GNU Lesser General Public License as published by the # Free Software Foundation; either version 2 of the License, or (at your option) # any later version. # # This file is distributed in the hope that it will be useful, but WITHOUT ANY # WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS # FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more # details. # # You should have received a copy of the GNU Lesser General Public # License along with this library; if not, write to the Free Software # Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA # # Please contact the ESRF industrial unit (industry@esrf.fr) if this license # is a problem for you. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "LGPL2+" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import weakref from . import Object3DQt as qt from .Object3DIcons import IconDict from . import ObjectTree DEBUG = 0 class ObjectTreeWidget(qt.QTreeWidget): def __init__(self, parent=None, tree=None, labels=None): qt.QTreeWidget.__init__(self, parent) if labels is None: labels = ['Name', 'Type'] #, 'Vertices'] if tree is None: self.tree = ObjectTree.ObjectTree('__Scene__', 'Scene') else: self.tree = tree ncols = len(labels) self.setColumnCount(ncols) self.setHeaderLabels(labels) def focusInEvent(self, event): event.accept() def addObject(self, item, name=None, parent=None, update=True): if name is None: name = item.name() if parent is None: self.tree.addChild(item, name) else: self[parent].addChild(item, name) if update: self.updateView() def removeObject(self, name): #An object has to correspond to an entry in the tree treeObject = self.tree.find(name) if treeObject is None: # do nothing? return treeObject.erase() self.updateView() def updateView(self): self.clear() self.showInView(self.tree) def showInView(self, tree, parent=None): """ Represent a tree in the QTreeWidget """ if parent is None: widgetItem = Object3DTreeWidgetItem(0, tree) self.addTopLevelItem(widgetItem) else: #find the parent item itemList = self.findItems(parent.name(), qt.Qt.MatchExactly|qt.Qt.MatchCaseSensitive|qt.Qt.MatchRecursive, 0) if len(itemList): widgetItemParent = itemList[0] widgetItem = Object3DTreeWidgetItem(1, tree) widgetItemParent.addChild(widgetItem) else: return ob = tree.root[0] if hasattr(ob,'selected'): if ob.selected(): widgetItem.setSelected(True) self.scrollToItem(widgetItem, qt.QAbstractItemView.EnsureVisible) for subTree in tree.childList(): self.showInView(subTree, tree.parent(subTree.name())) def setSelected(self, name): itemList = self.findItems(name, qt.Qt.MatchExactly|qt.Qt.MatchCaseSensitive|qt.Qt.MatchRecursive, 0) if len(itemList): itemList[0].setSelected(True) class Object3DTreeWidgetItem(qt.QTreeWidgetItem): def __init__(self, wtype, object3D): if type(wtype) != type(1): raise TypeError("First argument must be an integer") #if (wtype != 0) and (wtype < qt.QTreeWidgetItem.UserType): # raise TypeError("First argument must be 0 or an integer >= 1000") actualType = wtype qt.QTreeWidgetItem.__init__(self, wtype + qt.QTreeWidgetItem.UserType) self.__object3D = object3D self.setText(0, object3D.name()) if wtype == 0: text = "Scene" else: text = "3D Object" self.setText(1, text) class Object3DObjectTree(qt.QGroupBox): sigObjectTreeSignal = qt.pyqtSignal(object) def __init__(self, parent = None, tree=None): qt.QGroupBox.__init__(self, parent) self.setTitle('Objects Tree') self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.treeWidget = ObjectTreeWidget(self, tree=tree) self.tree = weakref.proxy(self.treeWidget.tree) self.actions = ObjectActions(self) self.mainLayout.addWidget(self.treeWidget) self.mainLayout.addWidget(self.actions) self.addObject = self.treeWidget.addObject self.__current = 'Scene' self.__previous= None self.__cutObject = None self.__replacing = False self.actions.cutButton.clicked.connect(self.cutObject) self.actions.pasteButton.clicked.connect(self.pasteObject) self.actions.deleteButton.clicked.connect(self.deleteObject) self.actions.replaceButton.clicked.connect(self.replaceWithObject) self.treeWidget.currentItemChanged.connect(self.itemChanged) def updateView(self, expand=False): self.treeWidget.updateView() if expand: if qt.qVersion() >= '4.2.0': self.treeWidget.expandAll() objectList = self.getSelectedObjectList() if len(objectList): self.__current = objectList[0] def getSelectedObjectList(self): selected = [] for item in self.tree.childList(): ob = item.root[0] if hasattr(ob, 'selected'): if ob.selected(): selected.append(item.name()) return selected def setSelectedObject(self, name=None): if name is None: name = self.__current else: self.__current = name #reset all the children for item in self.tree.childList(): ob = item.root[0] if hasattr(ob, 'selected'): ob.setSelected(False) #but do not forget the scene itself if hasattr(self.tree.root[0], "setSelected"): self.tree.root[0].setSelected(False) #now select the proper one if self.tree.name() == name: self.tree.root[0].setSelected(True) else: child = self.tree.find(name) if child is not None: ob = child.root[0] if hasattr(ob, 'selected'): ob.setSelected(True) self.treeWidget.setSelected(child.name()) def cutObject(self): if self.__current == 'Scene': self.__cutObject = None qt.QMessageBox.critical(self, "Error on cut", "You cannot cut the Scene itself.", qt.QMessageBox.Ok | qt.QMessageBox.Default, qt.QMessageBox.NoButton) elif self.__current is None: qt.QMessageBox.critical(self, "Error on cut", "Please select an object.", qt.QMessageBox.Ok | qt.QMessageBox.Default, qt.QMessageBox.NoButton) else: self.__cutObject = self.__current def pasteObject(self): if self.__cutObject is None: qt.QMessageBox.critical(self, "Error on paste", "Please cut an object first.", qt.QMessageBox.Ok | qt.QMessageBox.Default, qt.QMessageBox.NoButton) return if self.__cutObject == self.__current: #do nothing if DEBUG: print("Doing nothing") self.__cutObject = None self.treeWidget.resizeColumnToContents(0) return child = self.tree.find(self.__cutObject) self.tree.delChild(self.__cutObject) destination = self.tree.find(self.__current) destination.addChildTree(child) if DEBUG: print("TREE after addition = ", self.tree) self.updateView() if 1: #this works itemList = self.treeWidget.findItems(self.__cutObject, qt.Qt.MatchExactly|qt.Qt.MatchCaseSensitive|qt.Qt.MatchRecursive, 0) if len(itemList): self.treeWidget.scrollToItem(itemList[0], qt.QAbstractItemView.EnsureVisible) else: if DEBUG: print("Is this a problem?") else: #this too name = self.__cutObject while name != 'Scene': name = self.tree.parent(name).name() itemList = self.treeWidget.findItems(name, qt.Qt.MatchExactly|qt.Qt.MatchCaseSensitive|qt.Qt.MatchRecursive, 0) if len(itemList): self.treeWidget.expandItem(itemList[0]) else: if DEBUG: print("Is this a problem?") break self.treeWidget.resizeColumnToContents(0) self.__cutObject = None self.emitSignal('treeChanged') def deleteObject(self): if self.__current == 'Scene': qt.QMessageBox.critical(self, "Error on deletion", "You cannot delete the Scene itself.", qt.QMessageBox.Ok | qt.QMessageBox.Default, qt.QMessageBox.NoButton) self.tree.delChild(self.__current) self.__previous = str(self.__current) self.setSelectedObject(self.tree.name()) self.emitSignal('objectDeleted') self.updateView() def replaceWithObject(self): if self.__current in [None, 'None']: return self.__replacing = True if self.__current == 'Scene': itemList = self.tree.childList() for item in itemList: self.tree.delChild(item.name()) self.updateView() self.__cutObject = self.__current * 1 else: self.__cutObject = self.__current * 1 self.__current = 'Scene' child = self.tree.find(self.__cutObject) self.tree.delChild(self.__cutObject) itemList = self.tree.childList() for item in itemList: self.tree.delChild(item.name()) self.tree.addChildTree(child) self.updateView() itemList = self.treeWidget.findItems(self.__cutObject, qt.Qt.MatchExactly|qt.Qt.MatchCaseSensitive|qt.Qt.MatchRecursive, 0) if len(itemList): self.treeWidget.scrollToItem(itemList[0], qt.QAbstractItemView.EnsureVisible) self.treeWidget.resizeColumnToContents(0) self.__current = self.__cutObject * 1 self.__cutObject = None self.__replacing = False self.emitSignal('objectReplaced') def itemChanged(self, current, previous): if current is None: #This happens when updating because I clear the tree return #This was giving a lot of problems: self.__current = 'Scene' else: self.__current = current.text(0) if previous is None: self.__previous = None else: self.__previous = previous.text(0) if DEBUG: print("current = ", self.__current) print("previous = ", self.__previous) if self.__current != self.__previous: self.setSelectedObject(str(self.__current)) self.emitSignal('objectSelected') def emitSignal(self, event): if self.__replacing: if DEBUG: print("EVENT = ", event, "NOT SENT") ddict = {} ddict['event'] = event ddict['current'] = str(self.__current) ddict['previous'] = str(self.__previous) self.sigObjectTreeSignal.emit(ddict) class ObjectActions(qt.QGroupBox): def __init__(self, parent = None): qt.QGroupBox.__init__(self, parent) self.setTitle('Object Actions') self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setSpacing(0) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.cutButtonIcon = qt.QIcon(qt.QPixmap(IconDict['cut'])) self.cutButton = qt.QPushButton(self) self.cutButton.setIcon(self.cutButtonIcon) self.cutButton.setText('Cut') self.pasteButtonIcon = qt.QIcon(qt.QPixmap(IconDict['paste'])) self.pasteButton = qt.QPushButton(self) self.pasteButton.setIcon(self.pasteButtonIcon) self.pasteButton.setText('Paste') self.deleteButtonIcon = qt.QIcon(qt.QPixmap(IconDict['delete'])) self.deleteButton = qt.QPushButton(self) self.deleteButton.setIcon(self.deleteButtonIcon) self.deleteButton.setText('Delete') self.replaceButton = qt.QPushButton(self) self.replaceButton.setText('Replace') self.mainLayout.addWidget(self.cutButton) self.mainLayout.addWidget(self.pasteButton) self.mainLayout.addWidget(self.deleteButton) self.mainLayout.addWidget(self.replaceButton) if __name__ == "__main__": import Object3DBase app = qt.QApplication([]) app.lastWindowClosed.connect(app.quit) o0 = Object3DBase.Object3D("DummyObject0") o1 = Object3DBase.Object3D("DummyObject1") o01 = Object3DBase.Object3D("DummyObject01") w = Object3DObjectTree() w.addObject(o0, update=False) w.addObject(o1, update=False) w.addObject(o01, update=True) tree = w.tree.find("DummyObject0") w.tree.delChild("DummyObject01") tree.addChild(o01) w.updateView() w.show() app.exec_() PyMca5-5.2.2/PyMca5/Object3D/setup.py0000644000276300001750000002237413136054446017146 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # This file is free software; you can redistribute it and/or modify it # under the terms of the GNU Lesser General Public License as published by the # Free Software Foundation; either version 2 of the License, or (at your option) # any later version. # # This file is distributed in the hope that it will be useful, but WITHOUT ANY # WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS # FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more # details. # # You should have received a copy of the GNU Lesser General Public # License along with this library; if not, write to the Free Software # Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA # # Please contact the ESRF industrial unit (industry@esrf.fr) if this license # is a problem for you. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "LGPL2+" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys,os import glob import platform from distutils.core import Extension, setup try: import numpy except ImportError: text = "You must have numpy installed.\n" text += "See http://sourceforge.net/project/showfiles.php?group_id=1369&package_id=175103\n" raise ImportError(text) import distutils.sysconfig global OBJECT3D_INSTALL_DIR global OBJECT3D_SCRIPTS_DIR import string __version__ = '1.0' for line in file('SceneGLWindow.py').readlines(): if line[:11] == '__version__': exec(line) # Append cvs tag if working from cvs tree if os.path.isdir('.svn') and os.path.isfile(os.sep.join(['.svn', 'entries'])): import re revision = 0 revre = re.compile('committed-rev="(\d+)"') for match in revre.finditer(open(os.sep.join(['.svn', 'entries'])).read()): revision = max(revision, int(match.group(1))) __version__ += 'dev_r%i' % revision break print("Object3D Toolkit %s" % __version__) print() print("Type 'L' to view the license.") print("Type 'yes' to accept the terms of the license.") print("Type 'no' to decline the terms of the license.") print() while 1: try: resp = raw_input("Do you accept the terms of the license? ") except KeyboardInterrupt: raise SystemExit except: resp = "" resp = string.lower(string.strip(resp)) if resp == "yes": break if resp == "no": sys.exit(1) if resp == "l": os.system("more LICENSE.LGPL") # Specify all the required Object3D data data_files = [('Object3D', ['LICENSE.LGPL',])] packages = ['Object3D'] package_dir = {'Object3D':os.path.dirname(__file__)} """ #py_modules = [] py_modules = [] for python_file in glob.glob('*.py'): if python_file not in ['setup.py', 'cx_setup.py']: continue m = "Object3D.%s" % (os.path.basename(python_file)[:-3]) py_modules.append(m) """ py_modules = [] for python_file in glob.glob('Object3DPlugins/*.py'): m = "Object3D.Object3DPlugins.%s" % (os.path.basename(python_file)[:-3]) py_modules.append(m) sources = glob.glob('*.c') if sys.platform == "win32": libraries = ['opengl32', 'glu32'] define_macros = [('WIN32',None)] script_files = [] script_files.append('scripts/object3d_win_post_install.py') else: libraries = ['GL', 'GLU'] if sys.platform == 'darwin': libraries=[] define_macros = [] script_files = [] for f in glob.glob('scripts/*'): if f.endswith('.py'): continue script_files.append(f) def build_Object3DCTools(ext_modules): includes = [numpy.get_include()] if sys.platform == 'windows': WindowsSDK = os.getenv('WindowsSdkDir') #if WindowsSDK is not None: # includes.append(WindowsSDK) module = Extension(name = 'Object3D.Object3DCTools', sources = glob.glob('Object3DCTools/*.c'), define_macros = define_macros, libraries = libraries, include_dirs = includes) ext_modules.append(module) def build_Object3DQhull(ext_modules): module = Extension(name = 'Object3D.Object3DQhull', sources = glob.glob('Object3DQhull/src/*.c'), define_macros = define_macros, include_dirs = [numpy.get_include()]) ext_modules.append(module) ext_modules = [] build_Object3DCTools(ext_modules) build_Object3DQhull(ext_modules) # data_files fix from http://wiki.python.org/moin/DistutilsInstallDataScattered from distutils.command.install_data import install_data class smart_install_data(install_data): def run(self): global OBJECT3D_INSTALL_DIR #need to change self.install_dir to the library dir install_cmd = self.get_finalized_command('install') self.install_dir = getattr(install_cmd, 'install_lib') OBJECT3D_INSTALL_DIR = self.install_dir print("Object3D to be installed in %s" % self.install_dir) return install_data.run(self) from distutils.command.install_scripts import install_scripts class smart_install_scripts(install_scripts): def run (self): global OBJECT3D_SCRIPTS_DIR #I prefer not to translate the python used during the build #process for the case of having an installation on a disk shared #by different machines and starting python from a shell script #that positions the environment from distutils import log from stat import ST_MODE install_cmd = self.get_finalized_command('install') #This is to ignore the --install-scripts keyword #I do not know if to leave it optional ... if False: self.install_dir = os.path.join(getattr(install_cmd, 'install_lib'), 'Object3D') self.install_dir = os.path.join(self.install_dir, 'bin') else: self.install_dir = getattr(install_cmd, 'install_scripts') OBJECT3D_SCRIPTS_DIR = self.install_dir if sys.platform != "win32": print("Object3D scripts to be installed in %s" % self.install_dir) self.outfiles = self.copy_tree(self.build_dir, self.install_dir) self.outfiles = [] for filein in glob.glob('scripts/*'): filedest = os.path.join(self.install_dir, os.path.basename(filein)) if os.path.exists(filedest): os.remove(filedest) moddir = os.path.join(getattr(install_cmd,'install_lib'), "Object3D") f = open(filein, 'r') modfile = f.readline().replace("\n","") f.close() text = "#!/bin/bash\n" text += "export PYTHONPATH=%s:${PYTHONPATH}\n" % moddir text += "exec python %s $*\n" % os.path.join(moddir, modfile) f=open(filedest, 'w') f.write(text) f.close() #self.copy_file(filein, filedest) self.outfiles.append(filedest) if os.name == 'posix': # Set the executable bits (owner, group, and world) on # all the scripts we just installed. for ffile in self.get_outputs(): if self.dry_run: log.info("changing mode of %s", ffile) else: mode = ((os.stat(ffile)[ST_MODE]) | 365) & 4095 log.info("changing mode of %s to %o", ffile, mode) os.chmod(ffile, mode) description = "LGPL License unless a commercial license is bought. Please contact industry@esrf.fr if needed." long_description = """Stand-alone python application and tools for multidimensional data visualization""" distrib = setup(name="Object3D", version= __version__, description = description, author = "V. Armando Sole", author_email="sole@esrf.fr", license= "LGPL2+ - Please read LICENSE.LGPL for details", url = "http://pymca.sourceforge.net", long_description = long_description, packages = packages, package_dir=package_dir, platforms='any', ext_modules = ext_modules, data_files = data_files, cmdclass = {'install_data':smart_install_data, 'install_scripts':smart_install_scripts}, scripts=script_files, py_modules=py_modules, ) #cleanup files for fname in ['setup.py', 'cx_setup.py']: file_to_remove = os.path.join(OBJECT3D_INSTALL_DIR, 'Object3D',fname) if os.path.exists(file_to_remove): os.remove(file_to_remove) if os.path.exists(file_to_remove+'c'): os.remove(file_to_remove+'c') if os.path.exists(file_to_remove+'o'): os.remove(file_to_remove+'o') badtext = "No valid PyQt4 and PyOpenGL installation found.\n" try: print("Object3D is installed in %s " % OBJECT3D_INSTALL_DIR) except NameError: #I really do not see how this may happen but ... pass PyMca5-5.2.2/PyMca5/Object3D/HorizontalSpacer.py0000644000276300001750000000310413136054446021263 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # This file is free software; you can redistribute it and/or modify it # under the terms of the GNU Lesser General Public License as published by the # Free Software Foundation; either version 2 of the License, or (at your option) # any later version. # # This file is distributed in the hope that it will be useful, but WITHOUT ANY # WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS # FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more # details. # # You should have received a copy of the GNU Lesser General Public # License along with this library; if not, write to the Free Software # Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA # # Please contact the ESRF industrial unit (industry@esrf.fr) if this license # is a problem for you. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "LGPL2+" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" from . import Object3DQt as qt class HorizontalSpacer(qt.QWidget): def __init__(self, *args): qt.QWidget.__init__(self, *args) self.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Expanding, qt.QSizePolicy.Fixed)) PyMca5-5.2.2/PyMca5/Object3D/Object3DQhull/0000755000276300001750000000000013205526235020024 5ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/Object3D/Object3DQhull/setup.py0000644000276300001750000001333213136054446021543 0ustar solebliss00000000000000#!/usr/bin/env python # /*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # # ###########################################################################*/ __author__ = "V.A. Sole, T. Vincent - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" """Setup script for the Object3DQhull module distribution.""" import glob import os import numpy from distutils.extension import Extension from distutils.core import setup # TODO For '../../../third-party/qhull/src/*.c' # *.o are stored outside build/ when building locally def qhull_ext_modules(parent_name=None, package_path=None, use_cython=True): """Build list of Qhull wrapper Extensions. :param str parent_name: Name of parent module (or None). :param str package_path: Directory where the source of the module are. :param bool use_cython: Whether to use Cython or C source files. :return: List of py_modules and List of Extensions to build as a tuple. """ # Only try to import from Cython when used if use_cython: from Cython.Build import cythonize name_prefix = '' if parent_name is None else (parent_name + '.') if package_path is None: path_prefix = '' else: path_prefix = package_path.strip('/') + '/' sources = [] include_dirs = [path_prefix + '_qhull', numpy.get_include()] extra_compile_args = [] extra_link_args = [] ext_modules = [] QHULL_CFLAGS = os.getenv("QHULL_CFLAGS") QHULL_LIBS = os.getenv("QHULL_LIBS") use_system_qhull = QHULL_CFLAGS and QHULL_LIBS if use_system_qhull: # Use user provided system qhull library extra_compile_args += [QHULL_CFLAGS] extra_link_args += [QHULL_LIBS] # WARNING: MUST be sync with qhull/user.h qhull64_macros = {'REALfloat': 0, 'qh_QHpointer': 1} # As in debian 7 qhull32_macros = None # cython .c files need to be regenerated during build cythonize_force = True assert use_cython else: # Compile qhull sources += glob.glob(path_prefix + '../../../third-party/qhull/src/*.c') include_dirs += [path_prefix + '../../../third-party/qhull/src'] qhull64_macros = {'REALfloat': 0, 'qh_QHpointer': 0} qhull32_macros = {'REALfloat': 1, 'qh_QHpointer': 0} cythonize_force = False if qhull32_macros is not None: # qhull for float32 qhull32_sources = sources + [ path_prefix + '_qhull/_qhull32' + ('.pyx' if use_cython else '.c')] qhull32_ext = Extension(name=name_prefix + '_qhull32', sources=qhull32_sources, define_macros=list(qhull32_macros.items()), include_dirs=include_dirs, extra_compile_args=extra_compile_args, extra_link_args=extra_link_args, language='c') if use_cython: qhull32_ext = cythonize([qhull32_ext], force=cythonize_force, compile_time_env=qhull32_macros)[0] ext_modules.append(qhull32_ext) if qhull64_macros is not None: # qhull for float64 qhull64_sources = sources + [ path_prefix + '_qhull/_qhull64' + ('.pyx' if use_cython else '.c')] qhull64_ext = Extension(name=name_prefix + '_qhull64', sources=qhull64_sources, define_macros=list(qhull64_macros.items()), include_dirs=include_dirs, extra_compile_args=extra_compile_args, extra_link_args=extra_link_args, language='c') if use_cython: qhull64_ext = cythonize([qhull64_ext], force=cythonize_force, compile_time_env=qhull64_macros)[0] ext_modules.append(qhull64_ext) # py_modules py_modules = [name_prefix + '__init__'] return py_modules, ext_modules # Only build C extensions setup(name="Object3DQhull", version="1.0", description="Interface to Qhull library.", author="V.A. Sole - Software Group", author_email="sole@esrf.fr", url="http://www.esrf.fr", ext_modules=qhull_ext_modules()[1], ) PyMca5-5.2.2/PyMca5/Object3D/Object3DQhull/__init__.py0000644000276300001750000000703213136054446022142 0ustar solebliss00000000000000# /*######################################################################### # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # # ###########################################################################*/ from __future__ import absolute_import, division, print_function, \ unicode_literals __author__ = "T. Vincent - ESRF Data Analysis" __contact__ = "thomas.vincent@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" __doc__ = """Qhull library wrapper for Delaunay triangulation. See http://www.qhull.org/. Supports float32 and float64 formats depending on the Qhull library used. """ import numpy import warnings from . import _qhull64 try: from . import _qhull32 except ImportError: _qhull32 = None __version__ = _qhull64.__version__ """Version of the Qhull library.""" def delaunay(points, options=None, dtype=numpy.float64): """Delaunay triangulation using qhull library. :param points: Array-like set of points to triangulate. Array must be of dimension 2 and of type float32 or float64. :param options: Options of the 'qhull d' command to run or None (the default) for default flags. See http://www.qhull.org/ for details. :type options: iterable of str. :param numpy.dtype dtype: The data type to use for computation. numpy.float32 or numpy.float64 or None. :returns: Indices of corners of simplex facets. :rtype: numpy.ndarray of uint32 of shape (nbFacets, (points dim + 1)). """ assert dtype in (None, numpy.float32, numpy.float64) if _qhull32 is None: # Force dtype if qhull float32 is not available if dtype == numpy.float32: warnings.warn('Qhull for float32 not available', RuntimeWarning) dtype = numpy.float64 points = numpy.array(points, dtype=dtype, order='C', copy=False) if options is None: options = ['Qbb', 'QJ', 'Qc'] if points.dtype == numpy.float32: options.append('Po') command = 'qhull d ' + ' '.join(options) if points.dtype == numpy.float32: return _qhull32.delaunay(points, command) elif points.dtype == numpy.float64: return _qhull64.delaunay(points, command) else: raise ValueError('Unsupported array dtype %s' % points.dtype) PyMca5-5.2.2/PyMca5/Object3D/Object3DQhull/_qhull/0000755000276300001750000000000013205526235021310 5ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/Object3D/Object3DQhull/_qhull/qhull.pxi0000644000276300001750000001342613136054446023170 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ import cython import numpy cimport numpy import threading cimport qhull as _qhull # From numpy_common.pxi to avoid warnings while compiling C code # See this thread: # https://mail.python.org/pipermail//cython-devel/2012-March/002137.html cdef extern from *: bint FALSE "0" void import_array() void import_umath() if FALSE: import_array() import_umath() # Version string __version__ = _qhull.qh_version _errors = { _qhull.qh_ERRinput: RuntimeError('qhull input inconsistency'), _qhull.qh_ERRsingular: ArithmeticError('qhull singluar input data'), _qhull.qh_ERRprec: ArithmeticError('qhull precision error'), _qhull.qh_ERRmem: MemoryError('qhull insufficient memory'), _qhull.qh_ERRqhull: RuntimeError('qhull internal error'), } cdef unsigned int nbDelaunayFacets(): # Corresponding C code: # unsigned int get_num_delaunay_facets(void) { # unsigned int nbFacets = 0; # facetT * facet; # FORALLfacets { # if (!(facet->upperdelaunay)) { # nbFacets++; # } # } # return nbFacets; # } cdef _qhull.facetT * facet cdef unsigned int nbFacets = 0 # FORALLfacets facet = _qhull.qh_qh.facet_list while facet != NULL and facet.next != NULL: if not facet.upperdelaunay: nbFacets += 1 facet = facet.next return nbFacets @cython.boundscheck(False) @cython.wraparound(False) cdef void setDelaunayIndices(unsigned int[:] c_indices): # Corresponding C code # void set_delaunay_indices(unsigned int * indices) { # facetT * facet; # vertexT * vertex, **vertexp; # FORALLfacets { # if (!facet->upperdelaunay) { # FOREACHvertex_(facet->vertices) { # *(indices++) = qh_pointid(vertex->point); # } # } # } # } cdef _qhull.facetT * facet cdef _qhull.vertexT * vertex cdef unsigned int indicesIndex = 0 cdef unsigned int setIndex # FORALLfacets facet = _qhull.qh_qh.facet_list while facet != NULL and facet.next != NULL: if not facet.upperdelaunay: # FOREACHvertex_ if facet.vertices != NULL: for setIndex in range(facet.vertices.maxsize): vertex = <_qhull.vertexT *>(facet.vertices.e[setIndex].p) if vertex == NULL: break c_indices[indicesIndex] = _qhull.qh_pointid(vertex.point) indicesIndex += 1 facet = facet.next # Avoid concurrent use of the qhull library _qhull_lock = threading.Lock() @cython.boundscheck(False) @cython.wraparound(False) def delaunay(numpy.ndarray[_qhull.realT, ndim=2, mode='c'] points, command): """Delaunay triangulation using qhull library. :param points: numpy.ndarray of points to triangulate. Array must be of dimension 2. The second dimension being the dimension of the space. :param str command: 'qhull d' command to run :returns: Index of simplex facets corners. :rtype: numpy.ndarray of uint32 of dimension: nbFacets x (points dim + 1). """ cdef int dimension = points.shape[1] cdef _qhull.coordT[:] c_points = numpy.ravel(points) cdef char * c_command = command #_qhull_lock.acquire() cdef int result = _qhull.qh_new_qhull(dimension, len(points), &c_points[0], False, &c_command[0], NULL, _qhull.stderr) if result != _qhull.qh_ERRnone: _qhull.qh_freeqhull(_qhull.qh_ALL) # Free qhull resources #_qhull_lock.release() raise _errors[result] # Get number of facets cdef unsigned int nbFacets = nbDelaunayFacets() if nbFacets == 0: _qhull.qh_freeqhull(_qhull.qh_ALL) # Free qhull resources #_qhull_lock.release() return numpy.array((), dtype=numpy.uint32) # Get facets' indices indices = numpy.empty((nbFacets, dimension + 1), dtype=numpy.uint32) cdef unsigned int[:] c_indices = indices.ravel() setDelaunayIndices(c_indices) # Free qhull resources _qhull.qh_freeqhull(_qhull.qh_ALL) #_qhull_lock.release() return indices PyMca5-5.2.2/PyMca5/Object3D/Object3DQhull/_qhull/_qhull32.c0000644000276300001750000265271413136054446023131 0ustar solebliss00000000000000/* Generated by Cython 0.19.1 on Wed Jul 29 15:48:38 2015 */ #define PY_SSIZE_T_CLEAN #ifndef CYTHON_USE_PYLONG_INTERNALS #ifdef PYLONG_BITS_IN_DIGIT #define CYTHON_USE_PYLONG_INTERNALS 0 #else #include "pyconfig.h" #ifdef PYLONG_BITS_IN_DIGIT #define CYTHON_USE_PYLONG_INTERNALS 1 #else #define CYTHON_USE_PYLONG_INTERNALS 0 #endif #endif #endif #include "Python.h" #ifndef Py_PYTHON_H #error Python headers needed to compile C extensions, please install development version of Python. #elif PY_VERSION_HEX < 0x02040000 #error Cython requires Python 2.4+. #else #include /* For offsetof */ #ifndef offsetof #define offsetof(type, member) ( (size_t) & ((type*)0) -> member ) #endif #if !defined(WIN32) && !defined(MS_WINDOWS) #ifndef __stdcall #define __stdcall #endif #ifndef __cdecl #define __cdecl #endif #ifndef __fastcall #define __fastcall #endif #endif #ifndef DL_IMPORT #define DL_IMPORT(t) t #endif #ifndef DL_EXPORT #define DL_EXPORT(t) t #endif #ifndef PY_LONG_LONG #define PY_LONG_LONG LONG_LONG #endif #ifndef Py_HUGE_VAL #define Py_HUGE_VAL HUGE_VAL #endif #ifdef PYPY_VERSION #define CYTHON_COMPILING_IN_PYPY 1 #define CYTHON_COMPILING_IN_CPYTHON 0 #else #define CYTHON_COMPILING_IN_PYPY 0 #define CYTHON_COMPILING_IN_CPYTHON 1 #endif #if PY_VERSION_HEX < 0x02050000 typedef int Py_ssize_t; #define PY_SSIZE_T_MAX INT_MAX #define PY_SSIZE_T_MIN INT_MIN #define PY_FORMAT_SIZE_T "" #define CYTHON_FORMAT_SSIZE_T "" #define PyInt_FromSsize_t(z) PyInt_FromLong(z) #define PyInt_AsSsize_t(o) __Pyx_PyInt_AsInt(o) #define PyNumber_Index(o) ((PyNumber_Check(o) && !PyFloat_Check(o)) ? PyNumber_Int(o) : \ (PyErr_Format(PyExc_TypeError, \ "expected index value, got %.200s", Py_TYPE(o)->tp_name), \ (PyObject*)0)) #define __Pyx_PyIndex_Check(o) (PyNumber_Check(o) && !PyFloat_Check(o) && \ !PyComplex_Check(o)) #define PyIndex_Check __Pyx_PyIndex_Check #define PyErr_WarnEx(category, message, stacklevel) PyErr_Warn(category, message) #define __PYX_BUILD_PY_SSIZE_T "i" #else #define __PYX_BUILD_PY_SSIZE_T "n" #define CYTHON_FORMAT_SSIZE_T "z" #define __Pyx_PyIndex_Check PyIndex_Check #endif #if PY_VERSION_HEX < 0x02060000 #define Py_REFCNT(ob) (((PyObject*)(ob))->ob_refcnt) #define Py_TYPE(ob) (((PyObject*)(ob))->ob_type) #define Py_SIZE(ob) (((PyVarObject*)(ob))->ob_size) #define PyVarObject_HEAD_INIT(type, size) \ PyObject_HEAD_INIT(type) size, #define PyType_Modified(t) typedef struct { void *buf; PyObject *obj; Py_ssize_t len; Py_ssize_t itemsize; int readonly; int ndim; char *format; Py_ssize_t *shape; Py_ssize_t *strides; Py_ssize_t *suboffsets; void *internal; } Py_buffer; #define PyBUF_SIMPLE 0 #define PyBUF_WRITABLE 0x0001 #define PyBUF_FORMAT 0x0004 #define PyBUF_ND 0x0008 #define PyBUF_STRIDES (0x0010 | PyBUF_ND) #define PyBUF_C_CONTIGUOUS (0x0020 | PyBUF_STRIDES) #define PyBUF_F_CONTIGUOUS (0x0040 | PyBUF_STRIDES) #define PyBUF_ANY_CONTIGUOUS (0x0080 | PyBUF_STRIDES) #define PyBUF_INDIRECT (0x0100 | PyBUF_STRIDES) #define PyBUF_RECORDS (PyBUF_STRIDES | PyBUF_FORMAT | PyBUF_WRITABLE) #define PyBUF_FULL (PyBUF_INDIRECT | PyBUF_FORMAT | PyBUF_WRITABLE) typedef int (*getbufferproc)(PyObject *, Py_buffer *, int); typedef void (*releasebufferproc)(PyObject *, Py_buffer *); #endif #if PY_MAJOR_VERSION < 3 #define __Pyx_BUILTIN_MODULE_NAME "__builtin__" #define __Pyx_PyCode_New(a, k, l, s, f, code, c, n, v, fv, cell, fn, name, fline, lnos) \ PyCode_New(a, l, s, f, code, c, n, v, fv, cell, fn, name, fline, lnos) #else #define __Pyx_BUILTIN_MODULE_NAME "builtins" #define __Pyx_PyCode_New(a, k, l, s, f, code, c, n, v, fv, cell, fn, name, fline, lnos) \ PyCode_New(a, k, l, s, f, code, c, n, v, fv, cell, fn, name, fline, lnos) #endif #if PY_MAJOR_VERSION < 3 && PY_MINOR_VERSION < 6 #define PyUnicode_FromString(s) PyUnicode_Decode(s, strlen(s), "UTF-8", "strict") #endif #if PY_MAJOR_VERSION >= 3 #define Py_TPFLAGS_CHECKTYPES 0 #define Py_TPFLAGS_HAVE_INDEX 0 #endif #if (PY_VERSION_HEX < 0x02060000) || (PY_MAJOR_VERSION >= 3) #define Py_TPFLAGS_HAVE_NEWBUFFER 0 #endif #if PY_VERSION_HEX < 0x02060000 #define Py_TPFLAGS_HAVE_VERSION_TAG 0 #endif #if PY_VERSION_HEX > 0x03030000 && defined(PyUnicode_KIND) #define CYTHON_PEP393_ENABLED 1 #define __Pyx_PyUnicode_READY(op) (likely(PyUnicode_IS_READY(op)) ? 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\ (PyErr_SetString(PyExc_SystemError, "null argument to internal routine"), (PyObject*)0) : \ (likely((obj)->ob_type->tp_as_mapping) ? 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/* length of array in each dimension */ int ndim; char typegroup; /* _R_eal, _C_omplex, Signed _I_nt, _U_nsigned int, _S_truct, _P_ointer, _O_bject, c_H_ar */ char is_unsigned; int flags; } __Pyx_TypeInfo; typedef struct __Pyx_StructField_ { __Pyx_TypeInfo* type; const char* name; size_t offset; } __Pyx_StructField; typedef struct { __Pyx_StructField* field; size_t parent_offset; } __Pyx_BufFmt_StackElem; typedef struct { __Pyx_StructField root; __Pyx_BufFmt_StackElem* head; size_t fmt_offset; size_t new_count, enc_count; size_t struct_alignment; int is_complex; char enc_type; char new_packmode; char enc_packmode; char is_valid_array; } __Pyx_BufFmt_Context; struct __pyx_memoryview_obj; typedef struct { struct __pyx_memoryview_obj *memview; char *data; Py_ssize_t shape[8]; Py_ssize_t strides[8]; Py_ssize_t suboffsets[8]; } __Pyx_memviewslice; #include #ifndef CYTHON_ATOMICS #define CYTHON_ATOMICS 1 #endif #define __pyx_atomic_int_type int #if CYTHON_ATOMICS && __GNUC__ >= 4 && (__GNUC_MINOR__ > 1 || \ (__GNUC_MINOR__ == 1 && __GNUC_PATCHLEVEL >= 2)) && \ !defined(__i386__) #define __pyx_atomic_incr_aligned(value, lock) __sync_fetch_and_add(value, 1) #define __pyx_atomic_decr_aligned(value, lock) __sync_fetch_and_sub(value, 1) #ifdef __PYX_DEBUG_ATOMICS #warning "Using GNU atomics" #endif #elif CYTHON_ATOMICS && MSC_VER #include #define __pyx_atomic_int_type LONG #define __pyx_atomic_incr_aligned(value, lock) InterlockedIncrement(value) #define __pyx_atomic_decr_aligned(value, lock) InterlockedDecrement(value) #ifdef __PYX_DEBUG_ATOMICS #warning "Using MSVC atomics" #endif #elif CYTHON_ATOMICS && (defined(__ICC) || defined(__INTEL_COMPILER)) && 0 #define __pyx_atomic_incr_aligned(value, lock) _InterlockedIncrement(value) #define __pyx_atomic_decr_aligned(value, lock) _InterlockedDecrement(value) #ifdef __PYX_DEBUG_ATOMICS #warning "Using Intel atomics" #endif #else #undef CYTHON_ATOMICS #define CYTHON_ATOMICS 0 #ifdef __PYX_DEBUG_ATOMICS #warning "Not using atomics" #endif #endif typedef volatile __pyx_atomic_int_type __pyx_atomic_int; #if CYTHON_ATOMICS #define __pyx_add_acquisition_count(memview) \ __pyx_atomic_incr_aligned(__pyx_get_slice_count_pointer(memview), memview->lock) #define __pyx_sub_acquisition_count(memview) \ __pyx_atomic_decr_aligned(__pyx_get_slice_count_pointer(memview), memview->lock) #else #define __pyx_add_acquisition_count(memview) \ __pyx_add_acquisition_count_locked(__pyx_get_slice_count_pointer(memview), memview->lock) #define __pyx_sub_acquisition_count(memview) \ __pyx_sub_acquisition_count_locked(__pyx_get_slice_count_pointer(memview), memview->lock) #endif /* "numpy.pxd":723 * # in Cython to enable them only on the right systems. * * ctypedef npy_int8 int8_t # <<<<<<<<<<<<<< * ctypedef npy_int16 int16_t * ctypedef npy_int32 int32_t */ typedef npy_int8 __pyx_t_5numpy_int8_t; /* "numpy.pxd":724 * * ctypedef npy_int8 int8_t * ctypedef npy_int16 int16_t # <<<<<<<<<<<<<< * ctypedef npy_int32 int32_t * ctypedef npy_int64 int64_t */ typedef npy_int16 __pyx_t_5numpy_int16_t; /* "numpy.pxd":725 * ctypedef npy_int8 int8_t * ctypedef npy_int16 int16_t * ctypedef npy_int32 int32_t # <<<<<<<<<<<<<< * ctypedef npy_int64 int64_t * #ctypedef npy_int96 int96_t */ typedef npy_int32 __pyx_t_5numpy_int32_t; /* "numpy.pxd":726 * ctypedef npy_int16 int16_t * ctypedef npy_int32 int32_t * ctypedef npy_int64 int64_t # <<<<<<<<<<<<<< * #ctypedef npy_int96 int96_t * #ctypedef npy_int128 int128_t */ typedef npy_int64 __pyx_t_5numpy_int64_t; /* "numpy.pxd":730 * #ctypedef npy_int128 int128_t * * ctypedef npy_uint8 uint8_t # <<<<<<<<<<<<<< * ctypedef npy_uint16 uint16_t * ctypedef npy_uint32 uint32_t */ typedef npy_uint8 __pyx_t_5numpy_uint8_t; /* "numpy.pxd":731 * * ctypedef npy_uint8 uint8_t * ctypedef npy_uint16 uint16_t # <<<<<<<<<<<<<< * ctypedef npy_uint32 uint32_t * ctypedef npy_uint64 uint64_t */ typedef npy_uint16 __pyx_t_5numpy_uint16_t; /* "numpy.pxd":732 * ctypedef npy_uint8 uint8_t * ctypedef npy_uint16 uint16_t * ctypedef npy_uint32 uint32_t # <<<<<<<<<<<<<< * ctypedef npy_uint64 uint64_t * #ctypedef npy_uint96 uint96_t */ typedef npy_uint32 __pyx_t_5numpy_uint32_t; /* "numpy.pxd":733 * ctypedef npy_uint16 uint16_t * ctypedef npy_uint32 uint32_t * ctypedef npy_uint64 uint64_t # <<<<<<<<<<<<<< * #ctypedef npy_uint96 uint96_t * #ctypedef npy_uint128 uint128_t */ typedef npy_uint64 __pyx_t_5numpy_uint64_t; /* "numpy.pxd":737 * #ctypedef npy_uint128 uint128_t * * ctypedef npy_float32 float32_t # <<<<<<<<<<<<<< * ctypedef npy_float64 float64_t * #ctypedef npy_float80 float80_t */ typedef npy_float32 __pyx_t_5numpy_float32_t; /* "numpy.pxd":738 * * ctypedef npy_float32 float32_t * ctypedef npy_float64 float64_t # <<<<<<<<<<<<<< * #ctypedef npy_float80 float80_t * #ctypedef npy_float128 float128_t */ typedef npy_float64 __pyx_t_5numpy_float64_t; /* "numpy.pxd":747 * # The int types are mapped a bit surprising -- * # numpy.int corresponds to 'l' and numpy.long to 'q' * ctypedef npy_long int_t # <<<<<<<<<<<<<< * ctypedef npy_longlong long_t * ctypedef npy_longlong longlong_t */ typedef npy_long __pyx_t_5numpy_int_t; /* "numpy.pxd":748 * # numpy.int corresponds to 'l' and numpy.long to 'q' * ctypedef npy_long int_t * ctypedef npy_longlong long_t # <<<<<<<<<<<<<< * ctypedef npy_longlong longlong_t * */ typedef npy_longlong __pyx_t_5numpy_long_t; /* "numpy.pxd":749 * ctypedef npy_long int_t * ctypedef npy_longlong long_t * ctypedef npy_longlong longlong_t # <<<<<<<<<<<<<< * * ctypedef npy_ulong uint_t */ typedef npy_longlong __pyx_t_5numpy_longlong_t; /* "numpy.pxd":751 * ctypedef npy_longlong longlong_t * * ctypedef npy_ulong uint_t # <<<<<<<<<<<<<< * ctypedef npy_ulonglong ulong_t * ctypedef npy_ulonglong ulonglong_t */ typedef npy_ulong __pyx_t_5numpy_uint_t; /* "numpy.pxd":752 * * ctypedef npy_ulong uint_t * ctypedef npy_ulonglong ulong_t # <<<<<<<<<<<<<< * ctypedef npy_ulonglong ulonglong_t * */ typedef npy_ulonglong __pyx_t_5numpy_ulong_t; /* "numpy.pxd":753 * ctypedef npy_ulong uint_t * ctypedef npy_ulonglong ulong_t * ctypedef npy_ulonglong ulonglong_t # <<<<<<<<<<<<<< * * ctypedef npy_intp intp_t */ typedef npy_ulonglong __pyx_t_5numpy_ulonglong_t; /* "numpy.pxd":755 * ctypedef npy_ulonglong ulonglong_t * * ctypedef npy_intp intp_t # <<<<<<<<<<<<<< * ctypedef npy_uintp uintp_t * */ typedef npy_intp __pyx_t_5numpy_intp_t; /* "numpy.pxd":756 * * ctypedef npy_intp intp_t * ctypedef npy_uintp uintp_t # <<<<<<<<<<<<<< * * ctypedef npy_double float_t */ typedef npy_uintp __pyx_t_5numpy_uintp_t; /* "numpy.pxd":758 * ctypedef npy_uintp uintp_t * * ctypedef npy_double float_t # <<<<<<<<<<<<<< * ctypedef npy_double double_t * ctypedef npy_longdouble longdouble_t */ typedef npy_double __pyx_t_5numpy_float_t; /* "numpy.pxd":759 * * ctypedef npy_double float_t * ctypedef npy_double double_t # <<<<<<<<<<<<<< * ctypedef npy_longdouble longdouble_t * */ typedef npy_double __pyx_t_5numpy_double_t; /* "numpy.pxd":760 * ctypedef npy_double float_t * ctypedef npy_double double_t * ctypedef npy_longdouble longdouble_t # <<<<<<<<<<<<<< * * ctypedef npy_cfloat cfloat_t */ typedef npy_longdouble __pyx_t_5numpy_longdouble_t; #if CYTHON_CCOMPLEX #ifdef __cplusplus typedef ::std::complex< float > __pyx_t_float_complex; #else typedef float _Complex __pyx_t_float_complex; #endif #else typedef struct { float real, imag; } __pyx_t_float_complex; #endif #if CYTHON_CCOMPLEX #ifdef __cplusplus typedef ::std::complex< double > __pyx_t_double_complex; #else typedef double _Complex __pyx_t_double_complex; #endif #else typedef struct { double real, imag; } __pyx_t_double_complex; #endif /*--- Type declarations ---*/ struct __pyx_memoryview_obj; struct __pyx_array_obj; struct __pyx_MemviewEnum_obj; struct __pyx_memoryviewslice_obj; /* "numpy.pxd":762 * ctypedef npy_longdouble longdouble_t * * ctypedef npy_cfloat cfloat_t # <<<<<<<<<<<<<< * ctypedef npy_cdouble cdouble_t * ctypedef npy_clongdouble clongdouble_t */ typedef npy_cfloat __pyx_t_5numpy_cfloat_t; /* "numpy.pxd":763 * * ctypedef npy_cfloat cfloat_t * ctypedef npy_cdouble cdouble_t # <<<<<<<<<<<<<< * ctypedef npy_clongdouble clongdouble_t * */ typedef npy_cdouble __pyx_t_5numpy_cdouble_t; /* "numpy.pxd":764 * ctypedef npy_cfloat cfloat_t * ctypedef npy_cdouble cdouble_t * ctypedef npy_clongdouble clongdouble_t # <<<<<<<<<<<<<< * * ctypedef npy_cdouble complex_t */ typedef npy_clongdouble __pyx_t_5numpy_clongdouble_t; /* "numpy.pxd":766 * ctypedef npy_clongdouble clongdouble_t * * ctypedef npy_cdouble complex_t # <<<<<<<<<<<<<< * * cdef inline object PyArray_MultiIterNew1(a): */ typedef npy_cdouble __pyx_t_5numpy_complex_t; /* "View.MemoryView":308 * * @cname('__pyx_memoryview') * cdef class memoryview(object): # <<<<<<<<<<<<<< * * cdef object obj */ struct __pyx_memoryview_obj { PyObject_HEAD struct __pyx_vtabstruct_memoryview *__pyx_vtab; PyObject *obj; PyObject *_size; PyObject *_array_interface; PyThread_type_lock lock; __pyx_atomic_int acquisition_count[2]; __pyx_atomic_int *acquisition_count_aligned_p; Py_buffer view; int flags; int dtype_is_object; __Pyx_TypeInfo *typeinfo; }; /* "View.MemoryView":96 * * @cname("__pyx_array") * cdef class array: # <<<<<<<<<<<<<< * * cdef: */ struct __pyx_array_obj { PyObject_HEAD char *data; Py_ssize_t len; char *format; int ndim; Py_ssize_t *_shape; Py_ssize_t *_strides; Py_ssize_t itemsize; PyObject *mode; PyObject *_format; void (*callback_free_data)(void *); int free_data; int dtype_is_object; }; /* "View.MemoryView":275 * * @cname('__pyx_MemviewEnum') * cdef class Enum(object): # <<<<<<<<<<<<<< * cdef object name * def __init__(self, name): */ struct __pyx_MemviewEnum_obj { PyObject_HEAD PyObject *name; }; /* "View.MemoryView":927 * * @cname('__pyx_memoryviewslice') * cdef class _memoryviewslice(memoryview): # <<<<<<<<<<<<<< * "Internal class for passing memoryview slices to Python" * */ struct __pyx_memoryviewslice_obj { struct __pyx_memoryview_obj __pyx_base; __Pyx_memviewslice from_slice; PyObject *from_object; PyObject *(*to_object_func)(char *); int (*to_dtype_func)(char *, PyObject *); }; /* "View.MemoryView":308 * * @cname('__pyx_memoryview') * cdef class memoryview(object): # <<<<<<<<<<<<<< * * cdef object obj */ struct __pyx_vtabstruct_memoryview { char *(*get_item_pointer)(struct __pyx_memoryview_obj *, PyObject *); PyObject *(*is_slice)(struct __pyx_memoryview_obj *, PyObject *); PyObject *(*setitem_slice_assignment)(struct __pyx_memoryview_obj *, PyObject *, PyObject *); PyObject *(*setitem_slice_assign_scalar)(struct __pyx_memoryview_obj *, struct __pyx_memoryview_obj *, PyObject *); PyObject *(*setitem_indexed)(struct __pyx_memoryview_obj *, PyObject *, PyObject *); PyObject *(*convert_item_to_object)(struct __pyx_memoryview_obj *, char *); PyObject *(*assign_item_from_object)(struct __pyx_memoryview_obj *, char *, PyObject *); }; static struct __pyx_vtabstruct_memoryview *__pyx_vtabptr_memoryview; /* "View.MemoryView":927 * * @cname('__pyx_memoryviewslice') * cdef class _memoryviewslice(memoryview): # <<<<<<<<<<<<<< * "Internal class for passing memoryview slices to Python" * */ struct __pyx_vtabstruct__memoryviewslice { struct __pyx_vtabstruct_memoryview __pyx_base; 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/*proto*/ static void __Pyx_RaiseDoubleKeywordsError(const char* func_name, PyObject* kw_name); /*proto*/ static int __Pyx_ParseOptionalKeywords(PyObject *kwds, PyObject **argnames[], \ PyObject *kwds2, PyObject *values[], Py_ssize_t num_pos_args, \ const char* function_name); /*proto*/ static int __Pyx_ArgTypeTest(PyObject *obj, PyTypeObject *type, int none_allowed, const char *name, int exact); /*proto*/ static CYTHON_INLINE int __Pyx_GetBufferAndValidate(Py_buffer* buf, PyObject* obj, __Pyx_TypeInfo* dtype, int flags, int nd, int cast, __Pyx_BufFmt_StackElem* stack); static CYTHON_INLINE void __Pyx_SafeReleaseBuffer(Py_buffer* info); static CYTHON_INLINE PyObject *__Pyx_GetModuleGlobalName(PyObject *name); /*proto*/ #define __Pyx_GetItemInt(o, i, size, to_py_func, is_list, wraparound, boundscheck) \ (((size) <= sizeof(Py_ssize_t)) ? \ __Pyx_GetItemInt_Fast(o, i, is_list, wraparound, boundscheck) : \ __Pyx_GetItemInt_Generic(o, to_py_func(i))) #define __Pyx_GetItemInt_List(o, i, size, to_py_func, is_list, wraparound, boundscheck) \ (((size) <= sizeof(Py_ssize_t)) ? \ __Pyx_GetItemInt_List_Fast(o, i, wraparound, boundscheck) : \ __Pyx_GetItemInt_Generic(o, to_py_func(i))) static CYTHON_INLINE PyObject *__Pyx_GetItemInt_List_Fast(PyObject *o, Py_ssize_t i, int wraparound, int boundscheck); #define __Pyx_GetItemInt_Tuple(o, i, size, to_py_func, is_list, wraparound, boundscheck) \ (((size) <= sizeof(Py_ssize_t)) ? \ __Pyx_GetItemInt_Tuple_Fast(o, i, wraparound, boundscheck) : \ __Pyx_GetItemInt_Generic(o, to_py_func(i))) static CYTHON_INLINE PyObject *__Pyx_GetItemInt_Tuple_Fast(PyObject *o, Py_ssize_t i, int wraparound, int boundscheck); static CYTHON_INLINE PyObject *__Pyx_GetItemInt_Generic(PyObject *o, PyObject* j); static CYTHON_INLINE PyObject *__Pyx_GetItemInt_Fast(PyObject *o, Py_ssize_t i, int is_list, int wraparound, int boundscheck); static CYTHON_INLINE void __Pyx_ErrRestore(PyObject *type, PyObject *value, PyObject *tb); /*proto*/ static CYTHON_INLINE void __Pyx_ErrFetch(PyObject **type, PyObject **value, PyObject **tb); /*proto*/ static void __Pyx_Raise(PyObject *type, PyObject *value, PyObject *tb, PyObject *cause); /*proto*/ #define __Pyx_BUF_MAX_NDIMS %(BUF_MAX_NDIMS)d #define __Pyx_MEMVIEW_DIRECT 1 #define __Pyx_MEMVIEW_PTR 2 #define __Pyx_MEMVIEW_FULL 4 #define __Pyx_MEMVIEW_CONTIG 8 #define __Pyx_MEMVIEW_STRIDED 16 #define __Pyx_MEMVIEW_FOLLOW 32 #define __Pyx_IS_C_CONTIG 1 #define __Pyx_IS_F_CONTIG 2 static int __Pyx_init_memviewslice( struct __pyx_memoryview_obj *memview, int ndim, __Pyx_memviewslice *memviewslice, int memview_is_new_reference); static CYTHON_INLINE int __pyx_add_acquisition_count_locked( __pyx_atomic_int *acquisition_count, PyThread_type_lock lock); static CYTHON_INLINE int __pyx_sub_acquisition_count_locked( __pyx_atomic_int *acquisition_count, PyThread_type_lock lock); #define __pyx_get_slice_count_pointer(memview) (memview->acquisition_count_aligned_p) #define __pyx_get_slice_count(memview) (*__pyx_get_slice_count_pointer(memview)) #define __PYX_INC_MEMVIEW(slice, have_gil) __Pyx_INC_MEMVIEW(slice, have_gil, __LINE__) #define __PYX_XDEC_MEMVIEW(slice, have_gil) __Pyx_XDEC_MEMVIEW(slice, have_gil, __LINE__) static CYTHON_INLINE void __Pyx_INC_MEMVIEW(__Pyx_memviewslice *, int, int); static CYTHON_INLINE void __Pyx_XDEC_MEMVIEW(__Pyx_memviewslice *, int, int); static CYTHON_INLINE void __Pyx_RaiseTooManyValuesError(Py_ssize_t expected); static CYTHON_INLINE void __Pyx_RaiseNeedMoreValuesError(Py_ssize_t index); static CYTHON_INLINE void __Pyx_RaiseNoneNotIterableError(void); static CYTHON_INLINE int __Pyx_IterFinish(void); /*proto*/ static int __Pyx_IternextUnpackEndCheck(PyObject *retval, Py_ssize_t expected); /*proto*/ static CYTHON_INLINE int __Pyx_TypeTest(PyObject *obj, PyTypeObject *type); /*proto*/ static CYTHON_INLINE PyObject *__Pyx_GetAttr(PyObject *, PyObject *); /*proto*/ static CYTHON_INLINE PyObject *__Pyx_GetAttr3(PyObject *, PyObject *, PyObject *); /*proto*/ static CYTHON_INLINE Py_ssize_t __Pyx_div_Py_ssize_t(Py_ssize_t, Py_ssize_t); /* proto */ #ifndef __PYX_FORCE_INIT_THREADS #define __PYX_FORCE_INIT_THREADS 0 #endif #define UNARY_NEG_WOULD_OVERFLOW(x) (((x) < 0) & ((unsigned long)(x) == 0-(unsigned long)(x))) static CYTHON_UNUSED int __pyx_array_getbuffer(PyObject *__pyx_v_self, Py_buffer *__pyx_v_info, int __pyx_v_flags); /*proto*/ static CYTHON_INLINE int __Pyx_PyUnicode_Equals(PyObject* s1, PyObject* s2, int equals); /*proto*/ static PyObject *get_memview(PyObject *__pyx_v_self); /*proto*/ static CYTHON_INLINE PyObject* __Pyx_decode_c_string( const char* cstring, Py_ssize_t start, Py_ssize_t stop, const char* encoding, const char* errors, PyObject* (*decode_func)(const char *s, Py_ssize_t size, const char *errors)); #include static int __Pyx_GetException(PyObject **type, PyObject **value, PyObject **tb); /*proto*/ static CYTHON_UNUSED int __pyx_memoryview_getbuffer(PyObject *__pyx_v_self, Py_buffer *__pyx_v_info, int __pyx_v_flags); /*proto*/ static PyObject *__pyx_memoryview_transpose(PyObject *__pyx_v_self); /*proto*/ static PyObject *__pyx_memoryview__get__base(PyObject *__pyx_v_self); /*proto*/ static PyObject *__pyx_memoryview_get_shape(PyObject *__pyx_v_self); /*proto*/ #if CYTHON_COMPILING_IN_CPYTHON static CYTHON_INLINE int __Pyx_ListComp_Append(PyObject* list, PyObject* x) { PyListObject* L = (PyListObject*) list; Py_ssize_t len = Py_SIZE(list); if (likely(L->allocated > len)) { Py_INCREF(x); PyList_SET_ITEM(list, len, x); Py_SIZE(list) = len+1; return 0; } return PyList_Append(list, x); } #else #define __Pyx_ListComp_Append(L,x) PyList_Append(L,x) #endif static PyObject *__pyx_memoryview_get_strides(PyObject *__pyx_v_self); /*proto*/ static PyObject *__pyx_memoryview_get_suboffsets(PyObject *__pyx_v_self); /*proto*/ static PyObject *__pyx_memoryview_get_ndim(PyObject *__pyx_v_self); /*proto*/ static PyObject *__pyx_memoryview_get_itemsize(PyObject *__pyx_v_self); /*proto*/ static PyObject *__pyx_memoryview_get_nbytes(PyObject *__pyx_v_self); /*proto*/ static PyObject *__pyx_memoryview_get_size(PyObject *__pyx_v_self); /*proto*/ #if CYTHON_COMPILING_IN_CPYTHON static CYTHON_INLINE int __Pyx_PyList_Append(PyObject* list, PyObject* x) { PyListObject* L = (PyListObject*) list; Py_ssize_t len = Py_SIZE(list); if (likely(L->allocated > len) & likely(len > (L->allocated >> 1))) { Py_INCREF(x); PyList_SET_ITEM(list, len, x); Py_SIZE(list) = len+1; return 0; } return PyList_Append(list, x); } #else #define __Pyx_PyList_Append(L,x) PyList_Append(L,x) #endif static CYTHON_INLINE void __Pyx_RaiseUnboundLocalError(const char *varname); static CYTHON_INLINE long __Pyx_div_long(long, long); /* proto */ static PyObject *__pyx_memoryviewslice__get__base(PyObject *__pyx_v_self); /*proto*/ static void __Pyx_WriteUnraisable(const char *name, int clineno, int lineno, const char *filename); /*proto*/ static int __Pyx_SetVtable(PyObject *dict, void *vtable); /*proto*/ typedef struct { Py_ssize_t shape, strides, suboffsets; } __Pyx_Buf_DimInfo; typedef struct { size_t refcount; Py_buffer pybuffer; } __Pyx_Buffer; typedef struct { __Pyx_Buffer *rcbuffer; char *data; __Pyx_Buf_DimInfo diminfo[8]; } __Pyx_LocalBuf_ND; #if PY_MAJOR_VERSION < 3 static int __Pyx_GetBuffer(PyObject *obj, Py_buffer *view, int flags); static void __Pyx_ReleaseBuffer(Py_buffer *view); #else #define __Pyx_GetBuffer PyObject_GetBuffer #define __Pyx_ReleaseBuffer PyBuffer_Release #endif static Py_ssize_t __Pyx_zeros[] = {0, 0, 0, 0, 0, 0, 0, 0}; static Py_ssize_t __Pyx_minusones[] = {-1, -1, -1, -1, -1, -1, -1, -1}; static PyObject *__Pyx_Import(PyObject *name, PyObject *from_list, int level); /*proto*/ #if CYTHON_CCOMPLEX #ifdef __cplusplus #define __Pyx_CREAL(z) ((z).real()) #define __Pyx_CIMAG(z) ((z).imag()) #else #define __Pyx_CREAL(z) (__real__(z)) #define __Pyx_CIMAG(z) (__imag__(z)) #endif #else #define __Pyx_CREAL(z) ((z).real) #define __Pyx_CIMAG(z) ((z).imag) #endif #if defined(_WIN32) && defined(__cplusplus) && CYTHON_CCOMPLEX #define __Pyx_SET_CREAL(z,x) ((z).real(x)) #define __Pyx_SET_CIMAG(z,y) ((z).imag(y)) #else #define __Pyx_SET_CREAL(z,x) __Pyx_CREAL(z) = (x) #define __Pyx_SET_CIMAG(z,y) __Pyx_CIMAG(z) = (y) #endif static CYTHON_INLINE __pyx_t_float_complex __pyx_t_float_complex_from_parts(float, float); #if CYTHON_CCOMPLEX #define __Pyx_c_eqf(a, b) ((a)==(b)) #define __Pyx_c_sumf(a, b) ((a)+(b)) #define __Pyx_c_difff(a, b) ((a)-(b)) #define __Pyx_c_prodf(a, b) ((a)*(b)) #define __Pyx_c_quotf(a, b) ((a)/(b)) #define __Pyx_c_negf(a) (-(a)) #ifdef __cplusplus #define __Pyx_c_is_zerof(z) ((z)==(float)0) #define __Pyx_c_conjf(z) (::std::conj(z)) #if 1 #define __Pyx_c_absf(z) (::std::abs(z)) #define __Pyx_c_powf(a, b) (::std::pow(a, b)) #endif #else #define __Pyx_c_is_zerof(z) ((z)==0) #define __Pyx_c_conjf(z) (conjf(z)) #if 1 #define __Pyx_c_absf(z) (cabsf(z)) #define __Pyx_c_powf(a, b) (cpowf(a, b)) #endif #endif #else static CYTHON_INLINE int __Pyx_c_eqf(__pyx_t_float_complex, __pyx_t_float_complex); static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_sumf(__pyx_t_float_complex, __pyx_t_float_complex); static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_difff(__pyx_t_float_complex, __pyx_t_float_complex); static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_prodf(__pyx_t_float_complex, __pyx_t_float_complex); static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_quotf(__pyx_t_float_complex, __pyx_t_float_complex); static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_negf(__pyx_t_float_complex); static CYTHON_INLINE int __Pyx_c_is_zerof(__pyx_t_float_complex); static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_conjf(__pyx_t_float_complex); #if 1 static CYTHON_INLINE float __Pyx_c_absf(__pyx_t_float_complex); static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_powf(__pyx_t_float_complex, __pyx_t_float_complex); #endif #endif static CYTHON_INLINE __pyx_t_double_complex __pyx_t_double_complex_from_parts(double, double); #if CYTHON_CCOMPLEX #define __Pyx_c_eq(a, b) ((a)==(b)) #define __Pyx_c_sum(a, b) ((a)+(b)) #define __Pyx_c_diff(a, b) ((a)-(b)) #define __Pyx_c_prod(a, b) ((a)*(b)) #define __Pyx_c_quot(a, b) ((a)/(b)) #define __Pyx_c_neg(a) (-(a)) #ifdef __cplusplus #define __Pyx_c_is_zero(z) ((z)==(double)0) #define __Pyx_c_conj(z) (::std::conj(z)) #if 1 #define __Pyx_c_abs(z) (::std::abs(z)) #define __Pyx_c_pow(a, b) (::std::pow(a, b)) #endif #else #define __Pyx_c_is_zero(z) ((z)==0) #define __Pyx_c_conj(z) (conj(z)) #if 1 #define __Pyx_c_abs(z) (cabs(z)) #define __Pyx_c_pow(a, b) (cpow(a, b)) #endif #endif #else static CYTHON_INLINE int __Pyx_c_eq(__pyx_t_double_complex, __pyx_t_double_complex); static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_sum(__pyx_t_double_complex, __pyx_t_double_complex); static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_diff(__pyx_t_double_complex, __pyx_t_double_complex); static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_prod(__pyx_t_double_complex, __pyx_t_double_complex); static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_quot(__pyx_t_double_complex, __pyx_t_double_complex); static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_neg(__pyx_t_double_complex); static CYTHON_INLINE int __Pyx_c_is_zero(__pyx_t_double_complex); static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_conj(__pyx_t_double_complex); #if 1 static CYTHON_INLINE double __Pyx_c_abs(__pyx_t_double_complex); static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_pow(__pyx_t_double_complex, __pyx_t_double_complex); #endif #endif static int __pyx_memviewslice_is_contig(const __Pyx_memviewslice *mvs, char order, int ndim); static int __pyx_slices_overlap(__Pyx_memviewslice *slice1, __Pyx_memviewslice *slice2, int ndim, size_t itemsize); static __Pyx_memviewslice __pyx_memoryview_copy_new_contig(const __Pyx_memviewslice *from_mvs, const char *mode, int ndim, size_t sizeof_dtype, int contig_flag, int dtype_is_object); static CYTHON_INLINE PyObject *__pyx_capsule_create(void *p, const char *sig); static CYTHON_INLINE void __Pyx_ExceptionSave(PyObject **type, PyObject **value, PyObject **tb); /*proto*/ static void __Pyx_ExceptionReset(PyObject *type, PyObject *value, PyObject *tb); /*proto*/ static CYTHON_INLINE unsigned char __Pyx_PyInt_AsUnsignedChar(PyObject *); static CYTHON_INLINE unsigned short __Pyx_PyInt_AsUnsignedShort(PyObject *); static CYTHON_INLINE unsigned int __Pyx_PyInt_AsUnsignedInt(PyObject *); static CYTHON_INLINE char __Pyx_PyInt_AsChar(PyObject *); static CYTHON_INLINE short __Pyx_PyInt_AsShort(PyObject *); static CYTHON_INLINE int __Pyx_PyInt_AsInt(PyObject *); static CYTHON_INLINE signed char __Pyx_PyInt_AsSignedChar(PyObject *); static CYTHON_INLINE signed short __Pyx_PyInt_AsSignedShort(PyObject *); static CYTHON_INLINE signed int __Pyx_PyInt_AsSignedInt(PyObject *); static CYTHON_INLINE int __Pyx_PyInt_AsLongDouble(PyObject *); static CYTHON_INLINE unsigned long __Pyx_PyInt_AsUnsignedLong(PyObject *); static CYTHON_INLINE unsigned PY_LONG_LONG __Pyx_PyInt_AsUnsignedLongLong(PyObject *); static CYTHON_INLINE long __Pyx_PyInt_AsLong(PyObject *); static CYTHON_INLINE PY_LONG_LONG __Pyx_PyInt_AsLongLong(PyObject *); static CYTHON_INLINE signed long __Pyx_PyInt_AsSignedLong(PyObject *); static CYTHON_INLINE signed PY_LONG_LONG __Pyx_PyInt_AsSignedLongLong(PyObject *); static int __pyx_typeinfo_cmp(__Pyx_TypeInfo *a, __Pyx_TypeInfo *b); static int __Pyx_ValidateAndInit_memviewslice( int *axes_specs, int c_or_f_flag, int buf_flags, int ndim, __Pyx_TypeInfo *dtype, __Pyx_BufFmt_StackElem stack[], __Pyx_memviewslice *memviewslice, PyObject *original_obj); static CYTHON_INLINE __Pyx_memviewslice __Pyx_PyObject_to_MemoryviewSlice_ds_nn_coordT(PyObject *); static CYTHON_INLINE __Pyx_memviewslice __Pyx_PyObject_to_MemoryviewSlice_ds_unsigned_int(PyObject *); static int __Pyx_check_binary_version(void); #if !defined(__Pyx_PyIdentifier_FromString) #if PY_MAJOR_VERSION < 3 #define __Pyx_PyIdentifier_FromString(s) PyString_FromString(s) #else #define __Pyx_PyIdentifier_FromString(s) PyUnicode_FromString(s) #endif #endif static PyObject *__Pyx_ImportModule(const char *name); /*proto*/ static PyTypeObject *__Pyx_ImportType(const char *module_name, const char *class_name, size_t size, int strict); /*proto*/ typedef struct { int code_line; PyCodeObject* code_object; } __Pyx_CodeObjectCacheEntry; struct __Pyx_CodeObjectCache { int count; int max_count; __Pyx_CodeObjectCacheEntry* entries; }; static struct __Pyx_CodeObjectCache __pyx_code_cache = {0,0,NULL}; static int __pyx_bisect_code_objects(__Pyx_CodeObjectCacheEntry* entries, int count, int code_line); static PyCodeObject *__pyx_find_code_object(int code_line); static void __pyx_insert_code_object(int code_line, PyCodeObject* code_object); static void __Pyx_AddTraceback(const char *funcname, int c_line, int py_line, const char *filename); /*proto*/ static int __Pyx_InitStrings(__Pyx_StringTabEntry *t); /*proto*/ /* Module declarations from 'cython.view' */ /* Module declarations from 'cython' */ /* Module declarations from 'cpython.buffer' */ /* Module declarations from 'cpython.ref' */ /* Module declarations from 'libc.string' */ /* Module declarations from 'libc.stdio' */ /* Module declarations from 'cpython.object' */ /* Module declarations from '__builtin__' */ /* Module declarations from 'cpython.type' */ static PyTypeObject *__pyx_ptype_7cpython_4type_type = 0; /* Module declarations from 'libc.stdlib' */ /* Module declarations from 'numpy' */ /* Module declarations from 'numpy' */ static PyTypeObject *__pyx_ptype_5numpy_dtype = 0; static PyTypeObject *__pyx_ptype_5numpy_flatiter = 0; static PyTypeObject *__pyx_ptype_5numpy_broadcast = 0; static PyTypeObject *__pyx_ptype_5numpy_ndarray = 0; static PyTypeObject *__pyx_ptype_5numpy_ufunc = 0; static CYTHON_INLINE char *__pyx_f_5numpy__util_dtypestring(PyArray_Descr *, char *, char *, int *); /*proto*/ /* Module declarations from 'qhull' */ /* Module declarations from '_qhull32' */ static PyTypeObject *__pyx_memoryview_type = 0; static PyTypeObject *__pyx_array_type = 0; static PyTypeObject *__pyx_MemviewEnum_type = 0; static PyTypeObject *__pyx_memoryviewslice_type = 0; static PyObject *generic = 0; static PyObject *strided = 0; static PyObject *indirect = 0; static PyObject *contiguous = 0; static PyObject *indirect_contiguous = 0; static unsigned int __pyx_f_8_qhull32_nbDelaunayFacets(void); /*proto*/ static void __pyx_f_8_qhull32_setDelaunayIndices(__Pyx_memviewslice); /*proto*/ static struct __pyx_array_obj *__pyx_array_new(PyObject *, Py_ssize_t, char *, char *, char *); /*proto*/ static void *__pyx_align_pointer(void *, size_t); /*proto*/ static PyObject *__pyx_memoryview_new(PyObject *, int, int, __Pyx_TypeInfo *); /*proto*/ static CYTHON_INLINE int __pyx_memoryview_check(PyObject *); /*proto*/ static PyObject *_unellipsify(PyObject *, int); /*proto*/ static PyObject *assert_direct_dimensions(Py_ssize_t *, int); /*proto*/ static struct __pyx_memoryview_obj *__pyx_memview_slice(struct __pyx_memoryview_obj *, PyObject *); /*proto*/ static int __pyx_memoryview_slice_memviewslice(__Pyx_memviewslice *, Py_ssize_t, Py_ssize_t, Py_ssize_t, int, int, int *, Py_ssize_t, Py_ssize_t, Py_ssize_t, int, int, int, int); /*proto*/ static char *__pyx_pybuffer_index(Py_buffer *, char *, Py_ssize_t, int); /*proto*/ static int __pyx_memslice_transpose(__Pyx_memviewslice *); /*proto*/ static PyObject *__pyx_memoryview_fromslice(__Pyx_memviewslice, int, PyObject *(*)(char *), int (*)(char *, PyObject *), int); /*proto*/ static __Pyx_memviewslice *__pyx_memoryview_get_slice_from_memoryview(struct __pyx_memoryview_obj *, __Pyx_memviewslice *); /*proto*/ static void __pyx_memoryview_slice_copy(struct __pyx_memoryview_obj *, __Pyx_memviewslice *); /*proto*/ static PyObject *__pyx_memoryview_copy_object(struct __pyx_memoryview_obj *); /*proto*/ static PyObject *__pyx_memoryview_copy_object_from_slice(struct __pyx_memoryview_obj *, __Pyx_memviewslice *); /*proto*/ static Py_ssize_t abs_py_ssize_t(Py_ssize_t); /*proto*/ static char __pyx_get_best_slice_order(__Pyx_memviewslice *, int); /*proto*/ static void _copy_strided_to_strided(char *, Py_ssize_t *, char *, Py_ssize_t *, Py_ssize_t *, Py_ssize_t *, int, size_t); /*proto*/ static void copy_strided_to_strided(__Pyx_memviewslice *, __Pyx_memviewslice *, int, size_t); /*proto*/ static Py_ssize_t __pyx_memoryview_slice_get_size(__Pyx_memviewslice *, int); /*proto*/ static Py_ssize_t __pyx_fill_contig_strides_array(Py_ssize_t *, Py_ssize_t *, Py_ssize_t, int, char); /*proto*/ static void *__pyx_memoryview_copy_data_to_temp(__Pyx_memviewslice *, __Pyx_memviewslice *, char, int); /*proto*/ static int __pyx_memoryview_err_extents(int, Py_ssize_t, Py_ssize_t); /*proto*/ static int __pyx_memoryview_err_dim(PyObject *, char *, int); /*proto*/ static int __pyx_memoryview_err(PyObject *, char *); /*proto*/ static int __pyx_memoryview_copy_contents(__Pyx_memviewslice, __Pyx_memviewslice, int, int, int); /*proto*/ static void __pyx_memoryview_broadcast_leading(__Pyx_memviewslice *, int, int); /*proto*/ static void __pyx_memoryview_refcount_copying(__Pyx_memviewslice *, int, int, int); /*proto*/ static void __pyx_memoryview_refcount_objects_in_slice_with_gil(char *, Py_ssize_t *, Py_ssize_t *, int, int); /*proto*/ static void __pyx_memoryview_refcount_objects_in_slice(char *, Py_ssize_t *, Py_ssize_t *, int, int); /*proto*/ static void __pyx_memoryview_slice_assign_scalar(__Pyx_memviewslice *, int, size_t, void *, int); /*proto*/ static void __pyx_memoryview__slice_assign_scalar(char *, Py_ssize_t *, Py_ssize_t *, int, size_t, void *); /*proto*/ static __Pyx_TypeInfo __Pyx_TypeInfo_nn_realT = { "realT", NULL, sizeof(realT), { 0 }, 0, 'R', 0, 0 }; static __Pyx_TypeInfo __Pyx_TypeInfo_nn_coordT = { "coordT", NULL, sizeof(coordT), { 0 }, 0, 'R', 0, 0 }; static __Pyx_TypeInfo __Pyx_TypeInfo_unsigned_int = { "unsigned int", NULL, sizeof(unsigned int), { 0 }, 0, IS_UNSIGNED(unsigned int) ? 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/* proto */ static int __pyx_array_MemoryView_5array___cinit__(struct __pyx_array_obj *__pyx_v_self, PyObject *__pyx_v_shape, Py_ssize_t __pyx_v_itemsize, PyObject *__pyx_v_format, PyObject *__pyx_v_mode, int __pyx_v_allocate_buffer); /* proto */ static int __pyx_array_getbuffer_MemoryView_5array_2__getbuffer__(struct __pyx_array_obj *__pyx_v_self, Py_buffer *__pyx_v_info, int __pyx_v_flags); /* proto */ static void __pyx_array_MemoryView_5array_4__dealloc__(struct __pyx_array_obj *__pyx_v_self); /* proto */ static PyObject *get_memview_MemoryView_5array_7memview___get__(struct __pyx_array_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_array_MemoryView_5array_6__getattr__(struct __pyx_array_obj *__pyx_v_self, PyObject *__pyx_v_attr); /* proto */ static PyObject *__pyx_array_MemoryView_5array_8__getitem__(struct __pyx_array_obj *__pyx_v_self, PyObject *__pyx_v_item); /* proto */ static int __pyx_array_MemoryView_5array_10__setitem__(struct __pyx_array_obj *__pyx_v_self, PyObject *__pyx_v_item, PyObject *__pyx_v_value); /* proto */ static int __pyx_MemviewEnum_MemoryView_4Enum___init__(struct __pyx_MemviewEnum_obj *__pyx_v_self, PyObject *__pyx_v_name); /* proto */ static PyObject *__pyx_MemviewEnum_MemoryView_4Enum_2__repr__(struct __pyx_MemviewEnum_obj *__pyx_v_self); /* proto */ static int __pyx_memoryview_MemoryView_10memoryview___cinit__(struct __pyx_memoryview_obj *__pyx_v_self, PyObject *__pyx_v_obj, int __pyx_v_flags, int __pyx_v_dtype_is_object); /* proto */ static void __pyx_memoryview_MemoryView_10memoryview_2__dealloc__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_MemoryView_10memoryview_4__getitem__(struct __pyx_memoryview_obj *__pyx_v_self, PyObject *__pyx_v_index); /* proto */ static int __pyx_memoryview_MemoryView_10memoryview_6__setitem__(struct __pyx_memoryview_obj *__pyx_v_self, PyObject *__pyx_v_index, PyObject *__pyx_v_value); /* proto */ static int __pyx_memoryview_getbuffer_MemoryView_10memoryview_8__getbuffer__(struct __pyx_memoryview_obj *__pyx_v_self, Py_buffer *__pyx_v_info, int __pyx_v_flags); /* proto */ static PyObject *__pyx_memoryview_transpose_MemoryView_10memoryview_1T___get__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview__get__base_MemoryView_10memoryview_4base___get__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_get_shape_MemoryView_10memoryview_5shape___get__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_get_strides_MemoryView_10memoryview_7strides___get__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_get_suboffsets_MemoryView_10memoryview_10suboffsets___get__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_get_ndim_MemoryView_10memoryview_4ndim___get__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_get_itemsize_MemoryView_10memoryview_8itemsize___get__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_get_nbytes_MemoryView_10memoryview_6nbytes___get__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_get_size_MemoryView_10memoryview_4size___get__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static Py_ssize_t __pyx_memoryview_MemoryView_10memoryview_10__len__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_MemoryView_10memoryview_12__repr__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_MemoryView_10memoryview_14__str__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_MemoryView_10memoryview_16is_c_contig(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_MemoryView_10memoryview_18is_f_contig(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_MemoryView_10memoryview_20copy(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_MemoryView_10memoryview_22copy_fortran(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static void __pyx_memoryviewslice_MemoryView_16_memoryviewslice___dealloc__(struct __pyx_memoryviewslice_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryviewslice__get__base_MemoryView_16_memoryviewslice_4base___get__(struct __pyx_memoryviewslice_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_tp_new_memoryview(PyTypeObject *t, PyObject *a, PyObject *k); /*proto*/ static PyObject *__pyx_tp_new_array(PyTypeObject *t, PyObject *a, PyObject *k); /*proto*/ static PyObject *__pyx_tp_new_Enum(PyTypeObject *t, PyObject *a, PyObject *k); /*proto*/ static PyObject *__pyx_tp_new__memoryviewslice(PyTypeObject *t, PyObject *a, PyObject *k); /*proto*/ static char __pyx_k_2[] = "ndarray is not C contiguous"; static char __pyx_k_4[] = "ndarray is not Fortran contiguous"; static char __pyx_k_6[] = "Non-native byte order not supported"; static char __pyx_k_8[] = "unknown dtype code in numpy.pxd (%d)"; static char __pyx_k_9[] = "Format string allocated too short, see comment in numpy.pxd"; static char __pyx_k_12[] = "Format string allocated too short."; static char __pyx_k_14[] = "Empty shape tuple for cython.array"; static char __pyx_k_16[] = "itemsize <= 0 for cython.array"; static char __pyx_k_19[] = "unable to allocate shape or strides."; static char __pyx_k_21[] = "Invalid shape in axis %d: %d."; static char __pyx_k_22[] = "Invalid mode, expected 'c' or 'fortran', got %s"; static char __pyx_k_24[] = "unable to allocate array data."; static char __pyx_k_26[] = "Can only create a buffer that is contiguous in memory."; static char __pyx_k_28[] = "Unable to convert item to object"; static char __pyx_k_30[] = "Buffer view does not expose strides"; static char __pyx_k_32[] = ""; static char __pyx_k_33[] = ""; static char __pyx_k_36[] = "Cannot index with type '%s'"; static char __pyx_k_38[] = "Indirect dimensions not supported"; static char __pyx_k_40[] = "Index out of bounds (axis %d)"; static char __pyx_k_41[] = "Step may not be zero (axis %d)"; static char __pyx_k_42[] = "All dimensions preceding dimension %d must be indexed and not sliced"; static char __pyx_k_43[] = "Out of bounds on buffer access (axis %d)"; static char __pyx_k_44[] = "Cannot transpose memoryview with indirect dimensions"; static char __pyx_k_45[] = "got differing extents in dimension %d (got %d and %d)"; static char __pyx_k_46[] = "Dimension %d is not direct"; static char __pyx_k_47[] = "qhull input inconsistency"; static char __pyx_k_49[] = "qhull singluar input data"; static char __pyx_k_51[] = "qhull precision error"; static char __pyx_k_53[] = "qhull insufficient memory"; static char __pyx_k_55[] = "qhull internal error"; static char __pyx_k_59[] = "/users/tvincent/src/pymca/PyMca5/Object3D/Object3DQhull/_qhull/qhull.pxi"; static char __pyx_k_60[] = "getbuffer(obj, view, flags)"; static char __pyx_k_61[] = ""; static char __pyx_k_63[] = ""; static char __pyx_k_65[] = ""; static char __pyx_k_67[] = ""; static char __pyx_k_69[] = ""; static char __pyx_k__B[] = "B"; static char __pyx_k__H[] = "H"; static char __pyx_k__I[] = "I"; static char __pyx_k__L[] = "L"; 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static PyObject *__pyx_k_tuple_62; static PyObject *__pyx_k_tuple_64; static PyObject *__pyx_k_tuple_66; static PyObject *__pyx_k_tuple_68; static PyObject *__pyx_k_tuple_70; static PyObject *__pyx_k_codeobj_58; /* "/users/tvincent/src/pymca/PyMca5/Object3D/Object3DQhull/_qhull/qhull.pxi":64 * * * cdef unsigned int nbDelaunayFacets(): # <<<<<<<<<<<<<< * # Corresponding C code: * # unsigned int get_num_delaunay_facets(void) { */ static unsigned int __pyx_f_8_qhull32_nbDelaunayFacets(void) { facetT *__pyx_v_facet; unsigned int __pyx_v_nbFacets; unsigned int __pyx_r; __Pyx_RefNannyDeclarations facetT *__pyx_t_1; int __pyx_t_2; int __pyx_t_3; int __pyx_t_4; __Pyx_RefNannySetupContext("nbDelaunayFacets", 0); /* "/users/tvincent/src/pymca/PyMca5/Object3D/Object3DQhull/_qhull/qhull.pxi":77 * # } * cdef _qhull.facetT * facet * cdef unsigned int nbFacets = 0 # <<<<<<<<<<<<<< * * # FORALLfacets */ __pyx_v_nbFacets = 0; /* "/users/tvincent/src/pymca/PyMca5/Object3D/Object3DQhull/_qhull/qhull.pxi":80 * * # FORALLfacets * facet = _qhull.qh_qh.facet_list # <<<<<<<<<<<<<< * while facet != NULL and facet.next != NULL: * if not facet.upperdelaunay: */ __pyx_t_1 = qh_qh.facet_list; __pyx_v_facet = __pyx_t_1; /* "/users/tvincent/src/pymca/PyMca5/Object3D/Object3DQhull/_qhull/qhull.pxi":81 * # FORALLfacets * facet = _qhull.qh_qh.facet_list * while facet != NULL and facet.next != NULL: # <<<<<<<<<<<<<< * if not facet.upperdelaunay: * nbFacets += 1 */ while (1) { __pyx_t_2 = ((__pyx_v_facet != NULL) != 0); if (__pyx_t_2) { __pyx_t_3 = ((__pyx_v_facet->next != NULL) != 0); __pyx_t_4 = __pyx_t_3; } else { __pyx_t_4 = __pyx_t_2; } if (!__pyx_t_4) break; /* "/users/tvincent/src/pymca/PyMca5/Object3D/Object3DQhull/_qhull/qhull.pxi":82 * facet = _qhull.qh_qh.facet_list * while facet != NULL and facet.next != NULL: * if not facet.upperdelaunay: # <<<<<<<<<<<<<< * nbFacets += 1 * facet = facet.next */ __pyx_t_4 = ((!(__pyx_v_facet->upperdelaunay != 0)) != 0); if (__pyx_t_4) { /* "/users/tvincent/src/pymca/PyMca5/Object3D/Object3DQhull/_qhull/qhull.pxi":83 * while facet != NULL and facet.next != NULL: * if not facet.upperdelaunay: * nbFacets += 1 # <<<<<<<<<<<<<< * facet = facet.next * */ __pyx_v_nbFacets = (__pyx_v_nbFacets + 1); 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__pyx_t_2 = ((!(__pyx_t_1 != 0)) != 0); if (__pyx_t_2) { /* "View.MemoryView":794 * start += shape * if not 0 <= start < shape: * _err_dim(IndexError, "Index out of bounds (axis %d)", dim) # <<<<<<<<<<<<<< * else: * */ __pyx_t_3 = __pyx_memoryview_err_dim(__pyx_builtin_IndexError, __pyx_k_40, __pyx_v_dim); if (unlikely(__pyx_t_3 == -1)) {__pyx_filename = __pyx_f[2]; __pyx_lineno = 794; __pyx_clineno = __LINE__; goto __pyx_L1_error;} goto __pyx_L5; } __pyx_L5:; goto __pyx_L3; } /*else*/ { /* "View.MemoryView":797 * else: * * negative_step = have_step != 0 and step < 0 # <<<<<<<<<<<<<< * * if have_step and step == 0: */ __pyx_t_2 = (__pyx_v_have_step != 0); if (__pyx_t_2) { __pyx_t_1 = (__pyx_v_step < 0); __pyx_t_4 = __pyx_t_1; } else { __pyx_t_4 = __pyx_t_2; } __pyx_v_negative_step = __pyx_t_4; /* "View.MemoryView":799 * negative_step = have_step != 0 and step < 0 * * if have_step and step == 0: # <<<<<<<<<<<<<< * _err_dim(ValueError, "Step may not be zero (axis %d)", dim) * */ if 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__pyx_v_start = (__pyx_v_start + __pyx_v_shape); /* "View.MemoryView":806 * if start < 0: * start += shape * if start < 0: # <<<<<<<<<<<<<< * start = 0 * elif start >= shape: */ __pyx_t_2 = ((__pyx_v_start < 0) != 0); if (__pyx_t_2) { /* "View.MemoryView":807 * start += shape * if start < 0: * start = 0 # <<<<<<<<<<<<<< * elif start >= shape: * if negative_step: */ __pyx_v_start = 0; goto __pyx_L9; } __pyx_L9:; goto __pyx_L8; } /* "View.MemoryView":808 * if start < 0: * start = 0 * elif start >= shape: # <<<<<<<<<<<<<< * if negative_step: * start = shape - 1 */ __pyx_t_2 = ((__pyx_v_start >= __pyx_v_shape) != 0); if (__pyx_t_2) { /* "View.MemoryView":809 * start = 0 * elif start >= shape: * if negative_step: # <<<<<<<<<<<<<< * start = shape - 1 * else: */ __pyx_t_2 = (__pyx_v_negative_step != 0); if (__pyx_t_2) { /* "View.MemoryView":810 * elif start >= shape: * if negative_step: * start = shape - 1 # <<<<<<<<<<<<<< * else: * start = shape */ __pyx_v_start = (__pyx_v_shape - 1); goto __pyx_L10; } /*else*/ { /* "View.MemoryView":812 * start = shape - 1 * else: * start = shape # <<<<<<<<<<<<<< * else: * if negative_step: */ __pyx_v_start = __pyx_v_shape; } __pyx_L10:; goto __pyx_L8; } __pyx_L8:; goto __pyx_L7; } /*else*/ { /* "View.MemoryView":814 * start = shape * else: * if negative_step: # <<<<<<<<<<<<<< * start = shape - 1 * else: */ __pyx_t_2 = (__pyx_v_negative_step != 0); if (__pyx_t_2) { /* "View.MemoryView":815 * else: * if negative_step: * start = shape - 1 # <<<<<<<<<<<<<< * else: * start = 0 */ __pyx_v_start = (__pyx_v_shape - 1); goto __pyx_L11; } /*else*/ { /* "View.MemoryView":817 * start = shape - 1 * else: * start = 0 # <<<<<<<<<<<<<< * * if have_stop: */ __pyx_v_start = 0; } __pyx_L11:; } __pyx_L7:; /* "View.MemoryView":819 * start = 0 * * if have_stop: # <<<<<<<<<<<<<< * if stop < 0: * stop += shape */ __pyx_t_2 = (__pyx_v_have_stop != 0); if (__pyx_t_2) { /* "View.MemoryView":820 * * if have_stop: * if stop < 0: # <<<<<<<<<<<<<< * stop += shape * if stop < 0: */ __pyx_t_2 = ((__pyx_v_stop < 0) != 0); if (__pyx_t_2) { /* "View.MemoryView":821 * if have_stop: * if stop < 0: * stop += shape # <<<<<<<<<<<<<< * if stop < 0: * stop = 0 */ __pyx_v_stop = (__pyx_v_stop + __pyx_v_shape); /* "View.MemoryView":822 * if stop < 0: * stop += shape * if stop < 0: # <<<<<<<<<<<<<< * stop = 0 * elif stop > shape: */ __pyx_t_2 = ((__pyx_v_stop < 0) != 0); if (__pyx_t_2) { /* "View.MemoryView":823 * stop += shape * if stop < 0: * stop = 0 # <<<<<<<<<<<<<< * elif stop > shape: * stop = shape */ __pyx_v_stop = 0; goto __pyx_L14; } __pyx_L14:; goto __pyx_L13; } /* "View.MemoryView":824 * if stop < 0: * stop = 0 * elif stop > shape: # <<<<<<<<<<<<<< * stop = shape * else: */ __pyx_t_2 = ((__pyx_v_stop > __pyx_v_shape) != 0); if (__pyx_t_2) { /* "View.MemoryView":825 * stop = 0 * elif stop > shape: * stop = shape # <<<<<<<<<<<<<< * else: * if negative_step: */ __pyx_v_stop = __pyx_v_shape; goto __pyx_L13; } __pyx_L13:; goto __pyx_L12; } /*else*/ { /* 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"View.MemoryView":839 * new_shape = (stop - start) // step * * if (stop - start) - step * new_shape: # <<<<<<<<<<<<<< * new_shape += 1 * */ __pyx_t_2 = (((__pyx_v_stop - __pyx_v_start) - (__pyx_v_step * __pyx_v_new_shape)) != 0); if (__pyx_t_2) { /* "View.MemoryView":840 * * if (stop - start) - step * new_shape: * new_shape += 1 # <<<<<<<<<<<<<< * * if new_shape < 0: */ __pyx_v_new_shape = (__pyx_v_new_shape + 1); goto __pyx_L17; } __pyx_L17:; /* "View.MemoryView":842 * new_shape += 1 * * if new_shape < 0: # <<<<<<<<<<<<<< * new_shape = 0 * */ __pyx_t_2 = ((__pyx_v_new_shape < 0) != 0); if (__pyx_t_2) { /* "View.MemoryView":843 * * if new_shape < 0: * new_shape = 0 # <<<<<<<<<<<<<< * * */ __pyx_v_new_shape = 0; goto __pyx_L18; } __pyx_L18:; /* "View.MemoryView":846 * * * dst.strides[new_ndim] = stride * step # <<<<<<<<<<<<<< * dst.shape[new_ndim] = new_shape * dst.suboffsets[new_ndim] = suboffset */ (__pyx_v_dst->strides[__pyx_v_new_ndim]) = (__pyx_v_stride * __pyx_v_step); /* 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dst.shape[dim] = shape[dim] # <<<<<<<<<<<<<< * dst.strides[dim] = strides[dim] * if suboffsets == NULL: */ (__pyx_v_dst->shape[__pyx_v_dim]) = (__pyx_v_shape[__pyx_v_dim]); /* "View.MemoryView":1031 * for dim in range(memview.view.ndim): * dst.shape[dim] = shape[dim] * dst.strides[dim] = strides[dim] # <<<<<<<<<<<<<< * if suboffsets == NULL: * dst.suboffsets[dim] = -1 */ (__pyx_v_dst->strides[__pyx_v_dim]) = (__pyx_v_strides[__pyx_v_dim]); /* "View.MemoryView":1032 * dst.shape[dim] = shape[dim] * dst.strides[dim] = strides[dim] * if suboffsets == NULL: # <<<<<<<<<<<<<< * dst.suboffsets[dim] = -1 * else: */ __pyx_t_4 = ((__pyx_v_suboffsets == NULL) != 0); if (__pyx_t_4) { /* "View.MemoryView":1033 * dst.strides[dim] = strides[dim] * if suboffsets == NULL: * dst.suboffsets[dim] = -1 # <<<<<<<<<<<<<< * else: * dst.suboffsets[dim] = suboffsets[dim] */ (__pyx_v_dst->suboffsets[__pyx_v_dim]) = -1; goto __pyx_L5; } /*else*/ { /* "View.MemoryView":1035 * dst.suboffsets[dim] = -1 * else: * dst.suboffsets[dim] = suboffsets[dim] # <<<<<<<<<<<<<< * * @cname('__pyx_memoryview_copy_object') */ (__pyx_v_dst->suboffsets[__pyx_v_dim]) = (__pyx_v_suboffsets[__pyx_v_dim]); } __pyx_L5:; } __Pyx_RefNannyFinishContext(); } /* "View.MemoryView":1038 * * @cname('__pyx_memoryview_copy_object') * cdef memoryview_copy(memoryview memview): # <<<<<<<<<<<<<< * "Create a new memoryview object" * cdef __Pyx_memviewslice memviewslice */ static PyObject *__pyx_memoryview_copy_object(struct __pyx_memoryview_obj *__pyx_v_memview) { __Pyx_memviewslice __pyx_v_memviewslice; PyObject *__pyx_r = NULL; __Pyx_RefNannyDeclarations PyObject *__pyx_t_1 = NULL; int __pyx_lineno = 0; const char *__pyx_filename = NULL; int __pyx_clineno = 0; __Pyx_RefNannySetupContext("memoryview_copy", 0); /* "View.MemoryView":1041 * "Create a new memoryview object" * cdef __Pyx_memviewslice memviewslice * slice_copy(memview, &memviewslice) # <<<<<<<<<<<<<< * return memoryview_copy_from_slice(memview, &memviewslice) * */ __pyx_memoryview_slice_copy(__pyx_v_memview, (&__pyx_v_memviewslice)); /* "View.MemoryView":1042 * cdef __Pyx_memviewslice memviewslice * slice_copy(memview, &memviewslice) * return memoryview_copy_from_slice(memview, &memviewslice) # <<<<<<<<<<<<<< * * @cname('__pyx_memoryview_copy_object_from_slice') */ __Pyx_XDECREF(__pyx_r); __pyx_t_1 = __pyx_memoryview_copy_object_from_slice(__pyx_v_memview, (&__pyx_v_memviewslice)); if (unlikely(!__pyx_t_1)) {__pyx_filename = __pyx_f[2]; __pyx_lineno = 1042; __pyx_clineno = __LINE__; goto __pyx_L1_error;} __Pyx_GOTREF(__pyx_t_1); __pyx_r = __pyx_t_1; __pyx_t_1 = 0; goto __pyx_L0; __pyx_r = Py_None; __Pyx_INCREF(Py_None); goto __pyx_L0; __pyx_L1_error:; __Pyx_XDECREF(__pyx_t_1); __Pyx_AddTraceback("View.MemoryView.memoryview_copy", __pyx_clineno, __pyx_lineno, __pyx_filename); __pyx_r = 0; __pyx_L0:; __Pyx_XGIVEREF(__pyx_r); __Pyx_RefNannyFinishContext(); return __pyx_r; } /* "View.MemoryView":1045 * * @cname('__pyx_memoryview_copy_object_from_slice') * cdef memoryview_copy_from_slice(memoryview memview, __Pyx_memviewslice *memviewslice): # <<<<<<<<<<<<<< * """ * Create a new memoryview object from a given memoryview object and slice. */ static PyObject *__pyx_memoryview_copy_object_from_slice(struct __pyx_memoryview_obj *__pyx_v_memview, __Pyx_memviewslice *__pyx_v_memviewslice) { PyObject *(*__pyx_v_to_object_func)(char *); int (*__pyx_v_to_dtype_func)(char *, PyObject *); PyObject *__pyx_r = NULL; __Pyx_RefNannyDeclarations int __pyx_t_1; int __pyx_t_2; PyObject *(*__pyx_t_3)(char *); int (*__pyx_t_4)(char *, PyObject *); PyObject *__pyx_t_5 = NULL; int __pyx_lineno = 0; const char *__pyx_filename = NULL; int __pyx_clineno = 0; __Pyx_RefNannySetupContext("memoryview_copy_from_slice", 0); /* "View.MemoryView":1052 * cdef int (*to_dtype_func)(char *, object) except 0 * * if isinstance(memview, _memoryviewslice): # <<<<<<<<<<<<<< * to_object_func = (<_memoryviewslice> memview).to_object_func * to_dtype_func = (<_memoryviewslice> memview).to_dtype_func */ __pyx_t_1 = __Pyx_TypeCheck(((PyObject *)__pyx_v_memview), ((PyObject *)__pyx_memoryviewslice_type)); __pyx_t_2 = (__pyx_t_1 != 0); if (__pyx_t_2) { /* "View.MemoryView":1053 * * if isinstance(memview, _memoryviewslice): * to_object_func = (<_memoryviewslice> memview).to_object_func # <<<<<<<<<<<<<< * to_dtype_func = (<_memoryviewslice> memview).to_dtype_func * else: */ __pyx_t_3 = ((struct __pyx_memoryviewslice_obj *)__pyx_v_memview)->to_object_func; __pyx_v_to_object_func = __pyx_t_3; /* "View.MemoryView":1054 * if isinstance(memview, _memoryviewslice): * to_object_func = (<_memoryviewslice> memview).to_object_func * to_dtype_func = (<_memoryviewslice> memview).to_dtype_func # <<<<<<<<<<<<<< * else: * to_object_func = NULL */ __pyx_t_4 = ((struct __pyx_memoryviewslice_obj *)__pyx_v_memview)->to_dtype_func; __pyx_v_to_dtype_func = __pyx_t_4; goto __pyx_L3; } /*else*/ { /* "View.MemoryView":1056 * 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__pyx_f[2]; __pyx_lineno = 1059; __pyx_clineno = __LINE__; goto __pyx_L1_error;} __Pyx_GOTREF(__pyx_t_5); __pyx_r = __pyx_t_5; __pyx_t_5 = 0; goto __pyx_L0; __pyx_r = Py_None; __Pyx_INCREF(Py_None); goto __pyx_L0; __pyx_L1_error:; __Pyx_XDECREF(__pyx_t_5); __Pyx_AddTraceback("View.MemoryView.memoryview_copy_from_slice", __pyx_clineno, __pyx_lineno, __pyx_filename); __pyx_r = 0; __pyx_L0:; __Pyx_XGIVEREF(__pyx_r); __Pyx_RefNannyFinishContext(); return __pyx_r; } /* "View.MemoryView":1067 * * * cdef Py_ssize_t abs_py_ssize_t(Py_ssize_t arg) nogil: # <<<<<<<<<<<<<< * if arg < 0: * return -arg */ static Py_ssize_t abs_py_ssize_t(Py_ssize_t __pyx_v_arg) { Py_ssize_t __pyx_r; int __pyx_t_1; /* "View.MemoryView":1068 * * cdef Py_ssize_t abs_py_ssize_t(Py_ssize_t arg) nogil: * if arg < 0: # <<<<<<<<<<<<<< * return -arg * else: */ __pyx_t_1 = ((__pyx_v_arg < 0) != 0); if (__pyx_t_1) { /* "View.MemoryView":1069 * cdef Py_ssize_t abs_py_ssize_t(Py_ssize_t arg) nogil: * if arg < 0: * return -arg # <<<<<<<<<<<<<< * else: * return arg */ __pyx_r = (-__pyx_v_arg); goto __pyx_L0; goto __pyx_L3; } /*else*/ { /* "View.MemoryView":1071 * return -arg * else: * return arg # <<<<<<<<<<<<<< * * @cname('__pyx_get_best_slice_order') */ __pyx_r = __pyx_v_arg; goto __pyx_L0; } __pyx_L3:; __pyx_r = 0; __pyx_L0:; return __pyx_r; } /* "View.MemoryView":1074 * * @cname('__pyx_get_best_slice_order') * cdef char get_best_order(__Pyx_memviewslice *mslice, int ndim) nogil: # <<<<<<<<<<<<<< * """ * Figure out the best memory access order for a given slice. */ static char __pyx_get_best_slice_order(__Pyx_memviewslice *__pyx_v_mslice, int __pyx_v_ndim) { int __pyx_v_i; Py_ssize_t __pyx_v_c_stride; Py_ssize_t __pyx_v_f_stride; char __pyx_r; int __pyx_t_1; int __pyx_t_2; int __pyx_t_3; /* "View.MemoryView":1079 * """ * cdef int i * cdef Py_ssize_t c_stride = 0 # <<<<<<<<<<<<<< * cdef Py_ssize_t f_stride = 0 * */ __pyx_v_c_stride = 0; /* "View.MemoryView":1080 * cdef int i * cdef Py_ssize_t c_stride = 0 * cdef Py_ssize_t f_stride = 0 # <<<<<<<<<<<<<< * * for i in range(ndim - 1, -1, -1): */ __pyx_v_f_stride = 0; /* "View.MemoryView":1082 * cdef Py_ssize_t f_stride = 0 * * for i in range(ndim - 1, -1, -1): # <<<<<<<<<<<<<< * if mslice.shape[i] > 1: * c_stride = mslice.strides[i] */ for (__pyx_t_1 = (__pyx_v_ndim - 1); __pyx_t_1 > -1; __pyx_t_1-=1) { __pyx_v_i = __pyx_t_1; /* "View.MemoryView":1083 * * for i in range(ndim - 1, -1, -1): * if mslice.shape[i] > 1: # <<<<<<<<<<<<<< * c_stride = mslice.strides[i] * break */ __pyx_t_2 = (((__pyx_v_mslice->shape[__pyx_v_i]) > 1) != 0); if (__pyx_t_2) { /* "View.MemoryView":1084 * for i in range(ndim - 1, -1, -1): * if mslice.shape[i] > 1: * c_stride = mslice.strides[i] # <<<<<<<<<<<<<< * break * */ __pyx_v_c_stride = (__pyx_v_mslice->strides[__pyx_v_i]); /* "View.MemoryView":1085 * if mslice.shape[i] > 1: * c_stride = mslice.strides[i] * break # <<<<<<<<<<<<<< * * for i in range(ndim): */ goto __pyx_L4_break; goto __pyx_L5; } __pyx_L5:; } __pyx_L4_break:; /* "View.MemoryView":1087 * break * * for i in range(ndim): # <<<<<<<<<<<<<< * if mslice.shape[i] > 1: * f_stride = mslice.strides[i] */ __pyx_t_1 = __pyx_v_ndim; for (__pyx_t_3 = 0; __pyx_t_3 < __pyx_t_1; __pyx_t_3+=1) { __pyx_v_i = __pyx_t_3; /* "View.MemoryView":1088 * * for i in range(ndim): * if mslice.shape[i] > 1: # <<<<<<<<<<<<<< * f_stride = mslice.strides[i] * break */ __pyx_t_2 = (((__pyx_v_mslice->shape[__pyx_v_i]) > 1) != 0); if (__pyx_t_2) { /* "View.MemoryView":1089 * for i in range(ndim): * if mslice.shape[i] > 1: * f_stride = mslice.strides[i] # <<<<<<<<<<<<<< * break * */ __pyx_v_f_stride = (__pyx_v_mslice->strides[__pyx_v_i]); /* "View.MemoryView":1090 * if mslice.shape[i] > 1: * f_stride = mslice.strides[i] * break # <<<<<<<<<<<<<< * * if abs_py_ssize_t(c_stride) <= abs_py_ssize_t(f_stride): */ goto __pyx_L7_break; goto __pyx_L8; } __pyx_L8:; } __pyx_L7_break:; /* "View.MemoryView":1092 * break * * if abs_py_ssize_t(c_stride) <= abs_py_ssize_t(f_stride): # <<<<<<<<<<<<<< * return 'C' * else: */ __pyx_t_2 = ((abs_py_ssize_t(__pyx_v_c_stride) <= abs_py_ssize_t(__pyx_v_f_stride)) != 0); if (__pyx_t_2) { /* "View.MemoryView":1093 * * if abs_py_ssize_t(c_stride) <= abs_py_ssize_t(f_stride): * return 'C' # <<<<<<<<<<<<<< * else: * return 'F' */ __pyx_r = 'C'; goto __pyx_L0; goto __pyx_L9; } /*else*/ { /* "View.MemoryView":1095 * return 'C' * else: * return 'F' # <<<<<<<<<<<<<< * * @cython.cdivision(True) */ __pyx_r = 'F'; goto __pyx_L0; } __pyx_L9:; __pyx_r = 0; __pyx_L0:; return __pyx_r; } /* "View.MemoryView":1098 * * @cython.cdivision(True) * cdef void _copy_strided_to_strided(char *src_data, Py_ssize_t *src_strides, # <<<<<<<<<<<<<< * char *dst_data, Py_ssize_t *dst_strides, * Py_ssize_t *src_shape, Py_ssize_t *dst_shape, */ static void _copy_strided_to_strided(char *__pyx_v_src_data, Py_ssize_t *__pyx_v_src_strides, char *__pyx_v_dst_data, Py_ssize_t *__pyx_v_dst_strides, Py_ssize_t *__pyx_v_src_shape, Py_ssize_t *__pyx_v_dst_shape, int __pyx_v_ndim, size_t __pyx_v_itemsize) { CYTHON_UNUSED Py_ssize_t __pyx_v_i; CYTHON_UNUSED Py_ssize_t __pyx_v_src_extent; Py_ssize_t __pyx_v_dst_extent; Py_ssize_t __pyx_v_src_stride; Py_ssize_t __pyx_v_dst_stride; int __pyx_t_1; int __pyx_t_2; int __pyx_t_3; int __pyx_t_4; Py_ssize_t __pyx_t_5; Py_ssize_t __pyx_t_6; /* "View.MemoryView":1105 * * cdef Py_ssize_t i * cdef Py_ssize_t src_extent = src_shape[0] # <<<<<<<<<<<<<< * cdef Py_ssize_t dst_extent = dst_shape[0] * cdef Py_ssize_t src_stride = src_strides[0] */ __pyx_v_src_extent = (__pyx_v_src_shape[0]); /* "View.MemoryView":1106 * cdef Py_ssize_t i * cdef Py_ssize_t src_extent = src_shape[0] * cdef Py_ssize_t dst_extent = dst_shape[0] # <<<<<<<<<<<<<< * cdef Py_ssize_t src_stride = src_strides[0] * cdef Py_ssize_t dst_stride = dst_strides[0] */ __pyx_v_dst_extent = (__pyx_v_dst_shape[0]); /* "View.MemoryView":1107 * cdef Py_ssize_t src_extent = src_shape[0] * cdef Py_ssize_t dst_extent = dst_shape[0] * cdef Py_ssize_t src_stride = src_strides[0] # <<<<<<<<<<<<<< * cdef Py_ssize_t dst_stride = dst_strides[0] * */ __pyx_v_src_stride = (__pyx_v_src_strides[0]); /* "View.MemoryView":1108 * cdef Py_ssize_t dst_extent = dst_shape[0] * cdef Py_ssize_t src_stride = src_strides[0] * cdef Py_ssize_t dst_stride = dst_strides[0] # <<<<<<<<<<<<<< * * if ndim == 1: */ __pyx_v_dst_stride = (__pyx_v_dst_strides[0]); /* "View.MemoryView":1110 * cdef Py_ssize_t dst_stride = dst_strides[0] * * if ndim == 1: # <<<<<<<<<<<<<< * if (src_stride > 0 and dst_stride > 0 and * src_stride == itemsize == dst_stride): */ __pyx_t_1 = ((__pyx_v_ndim == 1) != 0); if (__pyx_t_1) { /* "View.MemoryView":1111 * * if ndim == 1: * if (src_stride > 0 and dst_stride > 0 and # <<<<<<<<<<<<<< * src_stride == itemsize == dst_stride): * memcpy(dst_data, src_data, itemsize * dst_extent) */ __pyx_t_1 = ((__pyx_v_src_stride > 0) != 0); if (__pyx_t_1) { __pyx_t_2 = ((__pyx_v_dst_stride > 0) != 0); if (__pyx_t_2) { /* "View.MemoryView":1112 * if ndim == 1: * if (src_stride > 0 and dst_stride > 0 and * src_stride == itemsize == dst_stride): # <<<<<<<<<<<<<< * memcpy(dst_data, src_data, itemsize * dst_extent) * else: */ __pyx_t_3 = (((size_t)__pyx_v_src_stride) == __pyx_v_itemsize); if (__pyx_t_3) { __pyx_t_3 = (__pyx_v_itemsize == ((size_t)__pyx_v_dst_stride)); } __pyx_t_4 = (__pyx_t_3 != 0); } else { __pyx_t_4 = __pyx_t_2; } __pyx_t_2 = __pyx_t_4; } else { __pyx_t_2 = __pyx_t_1; } if (__pyx_t_2) { /* "View.MemoryView":1113 * if (src_stride > 0 and dst_stride > 0 and * src_stride == itemsize == dst_stride): * memcpy(dst_data, src_data, itemsize * dst_extent) # <<<<<<<<<<<<<< * else: * for i in range(dst_extent): */ memcpy(__pyx_v_dst_data, __pyx_v_src_data, (__pyx_v_itemsize * __pyx_v_dst_extent)); goto __pyx_L4; } /*else*/ { /* "View.MemoryView":1115 * memcpy(dst_data, src_data, itemsize * dst_extent) * else: * for i in range(dst_extent): # <<<<<<<<<<<<<< * memcpy(dst_data, src_data, itemsize) * 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__pyx_t_6 = __pyx_memoryview_copy_data_to_temp((&__pyx_v_src), (&__pyx_v_tmp), __pyx_v_order, __pyx_v_ndim); if (unlikely(__pyx_t_6 == NULL)) {__pyx_filename = __pyx_f[2]; __pyx_lineno = 1266; __pyx_clineno = __LINE__; goto __pyx_L1_error;} __pyx_v_tmpdata = __pyx_t_6; /* "View.MemoryView":1267 * * tmpdata = copy_data_to_temp(&src, &tmp, order, ndim) * src = tmp # <<<<<<<<<<<<<< * * if not broadcasting: */ __pyx_v_src = __pyx_v_tmp; goto __pyx_L9; } __pyx_L9:; /* "View.MemoryView":1269 * src = tmp * * if not broadcasting: # <<<<<<<<<<<<<< * * */ __pyx_t_2 = ((!(__pyx_v_broadcasting != 0)) != 0); if (__pyx_t_2) { /* "View.MemoryView":1272 * * * if slice_is_contig(&src, 'C', ndim): # <<<<<<<<<<<<<< * direct_copy = slice_is_contig(&dst, 'C', ndim) * elif slice_is_contig(&src, 'F', ndim): */ __pyx_t_2 = (__pyx_memviewslice_is_contig((&__pyx_v_src), 'C', __pyx_v_ndim) != 0); if (__pyx_t_2) { /* "View.MemoryView":1273 * * if slice_is_contig(&src, 'C', ndim): * direct_copy = slice_is_contig(&dst, 'C', ndim) # <<<<<<<<<<<<<< * elif slice_is_contig(&src, 'F', ndim): * direct_copy = slice_is_contig(&dst, 'F', ndim) */ __pyx_v_direct_copy = __pyx_memviewslice_is_contig((&__pyx_v_dst), 'C', __pyx_v_ndim); goto __pyx_L12; } /* "View.MemoryView":1274 * if slice_is_contig(&src, 'C', ndim): * direct_copy = slice_is_contig(&dst, 'C', ndim) * elif slice_is_contig(&src, 'F', ndim): # <<<<<<<<<<<<<< * direct_copy = slice_is_contig(&dst, 'F', ndim) * */ __pyx_t_2 = (__pyx_memviewslice_is_contig((&__pyx_v_src), 'F', __pyx_v_ndim) != 0); if (__pyx_t_2) { /* "View.MemoryView":1275 * direct_copy = slice_is_contig(&dst, 'C', ndim) * elif slice_is_contig(&src, 'F', ndim): * direct_copy = slice_is_contig(&dst, 'F', ndim) # <<<<<<<<<<<<<< * * if direct_copy: */ __pyx_v_direct_copy = __pyx_memviewslice_is_contig((&__pyx_v_dst), 'F', __pyx_v_ndim); goto __pyx_L12; } __pyx_L12:; /* "View.MemoryView":1277 * direct_copy = slice_is_contig(&dst, 'F', ndim) * * if direct_copy: # 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return 0 * */ __pyx_memoryview_refcount_copying((&__pyx_v_dst), __pyx_v_dtype_is_object, __pyx_v_ndim, 1); /* "View.MemoryView":1282 * memcpy(dst.data, src.data, slice_get_size(&src, ndim)) * refcount_copying(&dst, dtype_is_object, ndim, True) * return 0 # <<<<<<<<<<<<<< * * if order == 'F' == get_best_order(&dst, ndim): */ __pyx_r = 0; goto __pyx_L0; goto __pyx_L13; } __pyx_L13:; goto __pyx_L11; } __pyx_L11:; /* "View.MemoryView":1284 * return 0 * * if order == 'F' == get_best_order(&dst, ndim): # <<<<<<<<<<<<<< * * */ __pyx_t_2 = (__pyx_v_order == 'F'); if (__pyx_t_2) { __pyx_t_2 = ('F' == __pyx_get_best_slice_order((&__pyx_v_dst), __pyx_v_ndim)); } __pyx_t_7 = (__pyx_t_2 != 0); if (__pyx_t_7) { /* "View.MemoryView":1287 * * * transpose_memslice(&src) # <<<<<<<<<<<<<< * transpose_memslice(&dst) * */ __pyx_t_5 = __pyx_memslice_transpose((&__pyx_v_src)); if (unlikely(__pyx_t_5 == 0)) {__pyx_filename = __pyx_f[2]; __pyx_lineno = 1287; __pyx_clineno = __LINE__; goto __pyx_L1_error;} /* 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/* "View.MemoryView":1298 * * @cname('__pyx_memoryview_broadcast_leading') * cdef void broadcast_leading(__Pyx_memviewslice *slice, # <<<<<<<<<<<<<< * int ndim, * int ndim_other) nogil: */ static void __pyx_memoryview_broadcast_leading(__Pyx_memviewslice *__pyx_v_slice, int __pyx_v_ndim, int __pyx_v_ndim_other) { int __pyx_v_i; int __pyx_v_offset; int __pyx_t_1; int __pyx_t_2; /* "View.MemoryView":1302 * int ndim_other) nogil: * cdef int i * cdef int offset = ndim_other - ndim # <<<<<<<<<<<<<< * * for i in range(ndim - 1, -1, -1): */ __pyx_v_offset = (__pyx_v_ndim_other - __pyx_v_ndim); /* "View.MemoryView":1304 * cdef int offset = ndim_other - ndim * * for i in range(ndim - 1, -1, -1): # <<<<<<<<<<<<<< * slice.shape[i + offset] = slice.shape[i] * slice.strides[i + offset] = slice.strides[i] */ for (__pyx_t_1 = (__pyx_v_ndim - 1); __pyx_t_1 > -1; __pyx_t_1-=1) { __pyx_v_i = __pyx_t_1; /* "View.MemoryView":1305 * * for i in range(ndim - 1, -1, -1): * slice.shape[i + offset] = 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static void __pyx_memoryview_refcount_objects_in_slice_with_gil(char *__pyx_v_data, Py_ssize_t *__pyx_v_shape, Py_ssize_t *__pyx_v_strides, int __pyx_v_ndim, int __pyx_v_inc) { __Pyx_RefNannyDeclarations #ifdef WITH_THREAD PyGILState_STATE __pyx_gilstate_save = PyGILState_Ensure(); #endif __Pyx_RefNannySetupContext("refcount_objects_in_slice_with_gil", 0); /* "View.MemoryView":1332 * Py_ssize_t *strides, int ndim, * bint inc) with gil: * refcount_objects_in_slice(data, shape, strides, ndim, inc) # <<<<<<<<<<<<<< * * @cname('__pyx_memoryview_refcount_objects_in_slice') */ __pyx_memoryview_refcount_objects_in_slice(__pyx_v_data, __pyx_v_shape, __pyx_v_strides, __pyx_v_ndim, __pyx_v_inc); __Pyx_RefNannyFinishContext(); #ifdef WITH_THREAD PyGILState_Release(__pyx_gilstate_save); #endif } /* "View.MemoryView":1335 * * @cname('__pyx_memoryview_refcount_objects_in_slice') * cdef void refcount_objects_in_slice(char *data, Py_ssize_t *shape, # <<<<<<<<<<<<<< * Py_ssize_t *strides, int ndim, bint inc): * cdef Py_ssize_t i */ static void __pyx_memoryview_refcount_objects_in_slice(char *__pyx_v_data, Py_ssize_t *__pyx_v_shape, Py_ssize_t *__pyx_v_strides, int __pyx_v_ndim, int __pyx_v_inc) { CYTHON_UNUSED Py_ssize_t __pyx_v_i; __Pyx_RefNannyDeclarations Py_ssize_t __pyx_t_1; Py_ssize_t __pyx_t_2; int __pyx_t_3; __Pyx_RefNannySetupContext("refcount_objects_in_slice", 0); /* "View.MemoryView":1339 * cdef Py_ssize_t i * * for i in range(shape[0]): # <<<<<<<<<<<<<< * if ndim == 1: * if inc: */ __pyx_t_1 = (__pyx_v_shape[0]); for (__pyx_t_2 = 0; __pyx_t_2 < __pyx_t_1; __pyx_t_2+=1) { __pyx_v_i = __pyx_t_2; /* "View.MemoryView":1340 * * for i in range(shape[0]): * if ndim == 1: # <<<<<<<<<<<<<< * if inc: * Py_INCREF(( data)[0]) */ __pyx_t_3 = ((__pyx_v_ndim == 1) != 0); if (__pyx_t_3) { /* "View.MemoryView":1341 * for i in range(shape[0]): * if ndim == 1: * if inc: # <<<<<<<<<<<<<< * Py_INCREF(( data)[0]) * else: */ __pyx_t_3 = (__pyx_v_inc != 0); if (__pyx_t_3) { /* 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__pyx_v_dst->shape, __pyx_v_dst->strides, __pyx_v_ndim, __pyx_v_itemsize, __pyx_v_item); /* "View.MemoryView":1361 * _slice_assign_scalar(dst.data, dst.shape, dst.strides, ndim, * itemsize, item) * refcount_copying(dst, dtype_is_object, ndim, True) # <<<<<<<<<<<<<< * * */ __pyx_memoryview_refcount_copying(__pyx_v_dst, __pyx_v_dtype_is_object, __pyx_v_ndim, 1); } /* "View.MemoryView":1365 * * @cname('__pyx_memoryview__slice_assign_scalar') * cdef void _slice_assign_scalar(char *data, Py_ssize_t *shape, # <<<<<<<<<<<<<< * Py_ssize_t *strides, int ndim, * size_t itemsize, void *item) nogil: */ static void __pyx_memoryview__slice_assign_scalar(char *__pyx_v_data, Py_ssize_t *__pyx_v_shape, Py_ssize_t *__pyx_v_strides, int __pyx_v_ndim, size_t __pyx_v_itemsize, void *__pyx_v_item) { CYTHON_UNUSED Py_ssize_t __pyx_v_i; Py_ssize_t __pyx_v_stride; Py_ssize_t __pyx_v_extent; int __pyx_t_1; Py_ssize_t __pyx_t_2; Py_ssize_t __pyx_t_3; /* "View.MemoryView":1369 * size_t itemsize, void *item) nogil: * cdef Py_ssize_t i * cdef Py_ssize_t stride = strides[0] # <<<<<<<<<<<<<< * cdef Py_ssize_t extent = shape[0] * */ __pyx_v_stride = (__pyx_v_strides[0]); /* "View.MemoryView":1370 * cdef Py_ssize_t i * cdef Py_ssize_t stride = strides[0] * cdef Py_ssize_t extent = shape[0] # <<<<<<<<<<<<<< * * if ndim == 1: */ __pyx_v_extent = (__pyx_v_shape[0]); /* "View.MemoryView":1372 * cdef Py_ssize_t extent = shape[0] * * if ndim == 1: # <<<<<<<<<<<<<< * for i in range(extent): * memcpy(data, item, itemsize) */ __pyx_t_1 = ((__pyx_v_ndim == 1) != 0); if (__pyx_t_1) { /* "View.MemoryView":1373 * * if ndim == 1: * for i in range(extent): # <<<<<<<<<<<<<< * memcpy(data, item, itemsize) * data += stride */ __pyx_t_2 = __pyx_v_extent; for (__pyx_t_3 = 0; __pyx_t_3 < __pyx_t_2; __pyx_t_3+=1) { __pyx_v_i = __pyx_t_3; /* "View.MemoryView":1374 * if ndim == 1: * for i in range(extent): * memcpy(data, item, itemsize) # <<<<<<<<<<<<<< * data += stride * else: */ memcpy(__pyx_v_data, __pyx_v_item, __pyx_v_itemsize); /* "View.MemoryView":1375 * for i in range(extent): * memcpy(data, item, itemsize) * data += stride # <<<<<<<<<<<<<< * else: * for i in range(extent): */ __pyx_v_data = (__pyx_v_data + __pyx_v_stride); } goto __pyx_L3; } /*else*/ { /* "View.MemoryView":1377 * data += stride * else: * for i in range(extent): # <<<<<<<<<<<<<< * _slice_assign_scalar(data, shape + 1, strides + 1, * ndim - 1, itemsize, item) */ __pyx_t_2 = __pyx_v_extent; for (__pyx_t_3 = 0; __pyx_t_3 < __pyx_t_2; __pyx_t_3+=1) { __pyx_v_i = __pyx_t_3; /* "View.MemoryView":1379 * for i in range(extent): * _slice_assign_scalar(data, shape + 1, strides + 1, * ndim - 1, itemsize, item) # <<<<<<<<<<<<<< * data += stride * */ __pyx_memoryview__slice_assign_scalar(__pyx_v_data, (__pyx_v_shape + 1), (__pyx_v_strides + 1), (__pyx_v_ndim - 1), __pyx_v_itemsize, __pyx_v_item); /* "View.MemoryView":1380 * _slice_assign_scalar(data, shape + 1, strides + 1, * ndim - 1, itemsize, item) * data += stride # <<<<<<<<<<<<<< * * */ __pyx_v_data = (__pyx_v_data + __pyx_v_stride); } } __pyx_L3:; } static struct __pyx_vtabstruct_memoryview __pyx_vtable_memoryview; static PyObject *__pyx_tp_new_memoryview(PyTypeObject *t, PyObject *a, PyObject *k) { struct __pyx_memoryview_obj *p; PyObject *o; o = (*t->tp_alloc)(t, 0); if (unlikely(!o)) return 0; p = ((struct __pyx_memoryview_obj *)o); p->__pyx_vtab = __pyx_vtabptr_memoryview; p->obj = Py_None; Py_INCREF(Py_None); p->_size = Py_None; Py_INCREF(Py_None); p->_array_interface = Py_None; Py_INCREF(Py_None); p->view.obj = NULL; if (unlikely(__pyx_memoryview___cinit__(o, a, k) < 0)) { Py_DECREF(o); o = 0; } return o; } static void __pyx_tp_dealloc_memoryview(PyObject *o) { struct __pyx_memoryview_obj *p = (struct __pyx_memoryview_obj *)o; PyObject_GC_UnTrack(o); { PyObject *etype, *eval, *etb; PyErr_Fetch(&etype, &eval, &etb); ++Py_REFCNT(o); __pyx_memoryview___dealloc__(o); if (PyErr_Occurred()) PyErr_WriteUnraisable(o); --Py_REFCNT(o); PyErr_Restore(etype, eval, etb); } Py_CLEAR(p->obj); Py_CLEAR(p->_size); Py_CLEAR(p->_array_interface); (*Py_TYPE(o)->tp_free)(o); } static int __pyx_tp_traverse_memoryview(PyObject *o, visitproc v, void *a) { int e; struct __pyx_memoryview_obj *p = (struct __pyx_memoryview_obj *)o; if (p->obj) { e = (*v)(p->obj, a); if (e) return e; } if (p->_size) { e = (*v)(p->_size, a); if (e) return e; } if (p->_array_interface) { e = (*v)(p->_array_interface, a); if (e) return e; } if (p->view.obj) { e = (*v)(p->view.obj, a); if (e) return e; } return 0; } static int __pyx_tp_clear_memoryview(PyObject *o) { struct __pyx_memoryview_obj *p = (struct __pyx_memoryview_obj *)o; PyObject* tmp; tmp = ((PyObject*)p->obj); p->obj = Py_None; Py_INCREF(Py_None); Py_XDECREF(tmp); tmp = ((PyObject*)p->_size); p->_size = Py_None; Py_INCREF(Py_None); Py_XDECREF(tmp); tmp = ((PyObject*)p->_array_interface); p->_array_interface = Py_None; Py_INCREF(Py_None); Py_XDECREF(tmp); Py_CLEAR(p->view.obj); return 0; } static PyObject *__pyx_sq_item_memoryview(PyObject *o, Py_ssize_t i) { PyObject *r; PyObject *x = PyInt_FromSsize_t(i); if(!x) return 0; r = Py_TYPE(o)->tp_as_mapping->mp_subscript(o, x); Py_DECREF(x); return r; } static int __pyx_mp_ass_subscript_memoryview(PyObject *o, PyObject *i, PyObject *v) { if (v) { return __pyx_memoryview___setitem__(o, i, v); } else { PyErr_Format(PyExc_NotImplementedError, "Subscript deletion not supported by %s", Py_TYPE(o)->tp_name); return -1; } } static PyObject *__pyx_getprop___pyx_memoryview_T(PyObject *o, CYTHON_UNUSED void *x) { return __pyx_memoryview_transpose(o); } static PyObject *__pyx_getprop___pyx_memoryview_base(PyObject *o, CYTHON_UNUSED void *x) { return __pyx_memoryview__get__base(o); } static PyObject *__pyx_getprop___pyx_memoryview_shape(PyObject *o, CYTHON_UNUSED void *x) { return __pyx_memoryview_get_shape(o); } static PyObject *__pyx_getprop___pyx_memoryview_strides(PyObject *o, CYTHON_UNUSED void *x) { return __pyx_memoryview_get_strides(o); } static PyObject *__pyx_getprop___pyx_memoryview_suboffsets(PyObject *o, CYTHON_UNUSED void *x) { return __pyx_memoryview_get_suboffsets(o); } static PyObject *__pyx_getprop___pyx_memoryview_ndim(PyObject *o, CYTHON_UNUSED void *x) { return __pyx_memoryview_get_ndim(o); } static PyObject *__pyx_getprop___pyx_memoryview_itemsize(PyObject *o, CYTHON_UNUSED void *x) { return __pyx_memoryview_get_itemsize(o); } static PyObject *__pyx_getprop___pyx_memoryview_nbytes(PyObject *o, CYTHON_UNUSED void *x) { return __pyx_memoryview_get_nbytes(o); } static PyObject *__pyx_getprop___pyx_memoryview_size(PyObject *o, CYTHON_UNUSED void *x) { return __pyx_memoryview_get_size(o); } static PyMethodDef __pyx_methods_memoryview[] = { {__Pyx_NAMESTR("is_c_contig"), (PyCFunction)__pyx_memoryview_is_c_contig, METH_NOARGS, __Pyx_DOCSTR(0)}, {__Pyx_NAMESTR("is_f_contig"), (PyCFunction)__pyx_memoryview_is_f_contig, METH_NOARGS, __Pyx_DOCSTR(0)}, {__Pyx_NAMESTR("copy"), (PyCFunction)__pyx_memoryview_copy, 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(PyDict_SetItem(__pyx_memoryviewslice_type->tp_dict, __pyx_n_s____pyx_getbuffer, __pyx_t_1) < 0) {__pyx_filename = __pyx_f[2]; __pyx_lineno = 958; __pyx_clineno = __LINE__; goto __pyx_L1_error;} __Pyx_DECREF(__pyx_t_1); __pyx_t_1 = 0; PyType_Modified(__pyx_memoryviewslice_type); /* "View.MemoryView":1365 * * @cname('__pyx_memoryview__slice_assign_scalar') * cdef void _slice_assign_scalar(char *data, Py_ssize_t *shape, # <<<<<<<<<<<<<< * Py_ssize_t *strides, int ndim, * size_t itemsize, void *item) nogil: */ goto __pyx_L0; __pyx_L1_error:; __Pyx_XDECREF(__pyx_t_1); __Pyx_XDECREF(__pyx_t_3); __Pyx_XDECREF(__pyx_t_4); if (__pyx_m) { __Pyx_AddTraceback("init _qhull32", __pyx_clineno, __pyx_lineno, __pyx_filename); Py_DECREF(__pyx_m); __pyx_m = 0; } else if (!PyErr_Occurred()) { PyErr_SetString(PyExc_ImportError, "init _qhull32"); } __pyx_L0:; __Pyx_RefNannyFinishContext(); #if PY_MAJOR_VERSION < 3 return; #else return __pyx_m; #endif } /* Runtime support code */ #if CYTHON_REFNANNY static __Pyx_RefNannyAPIStruct *__Pyx_RefNannyImportAPI(const char *modname) { PyObject *m = NULL, *p = NULL; void *r = NULL; m = PyImport_ImportModule((char *)modname); if (!m) goto end; p = PyObject_GetAttrString(m, (char *)"RefNannyAPI"); if (!p) goto end; r = PyLong_AsVoidPtr(p); end: Py_XDECREF(p); Py_XDECREF(m); return (__Pyx_RefNannyAPIStruct *)r; } #endif /* CYTHON_REFNANNY */ static PyObject *__Pyx_GetBuiltinName(PyObject *name) { PyObject* result = __Pyx_PyObject_GetAttrStr(__pyx_b, name); if (unlikely(!result)) { PyErr_Format(PyExc_NameError, #if PY_MAJOR_VERSION >= 3 "name '%U' is not defined", name); #else "name '%s' is not defined", PyString_AS_STRING(name)); #endif } return result; } static void __Pyx_RaiseArgtupleInvalid( const char* func_name, int exact, Py_ssize_t num_min, Py_ssize_t num_max, Py_ssize_t num_found) { Py_ssize_t num_expected; const char *more_or_less; if (num_found < num_min) { num_expected = num_min; more_or_less = "at least"; } else { num_expected = num_max; more_or_less = "at most"; } if (exact) { more_or_less = "exactly"; } PyErr_Format(PyExc_TypeError, "%s() takes %s %" CYTHON_FORMAT_SSIZE_T "d positional argument%s (%" CYTHON_FORMAT_SSIZE_T "d given)", func_name, more_or_less, num_expected, (num_expected == 1) ? "" : "s", num_found); } static void __Pyx_RaiseDoubleKeywordsError( const char* func_name, PyObject* kw_name) { PyErr_Format(PyExc_TypeError, #if PY_MAJOR_VERSION >= 3 "%s() got multiple values for keyword argument '%U'", func_name, kw_name); #else "%s() got multiple values for keyword argument '%s'", func_name, PyString_AsString(kw_name)); #endif } static int __Pyx_ParseOptionalKeywords( PyObject *kwds, PyObject **argnames[], PyObject *kwds2, PyObject *values[], Py_ssize_t num_pos_args, const char* function_name) { PyObject *key = 0, *value = 0; Py_ssize_t pos = 0; PyObject*** name; PyObject*** first_kw_arg = argnames + num_pos_args; while (PyDict_Next(kwds, &pos, &key, &value)) { name = first_kw_arg; while (*name && (**name != key)) name++; if (*name) { values[name-argnames] = value; continue; } name = first_kw_arg; #if PY_MAJOR_VERSION < 3 if (likely(PyString_CheckExact(key)) || likely(PyString_Check(key))) { while (*name) { if ((CYTHON_COMPILING_IN_PYPY || PyString_GET_SIZE(**name) == PyString_GET_SIZE(key)) && _PyString_Eq(**name, key)) { values[name-argnames] = value; break; } name++; } if (*name) continue; else { PyObject*** argname = argnames; while (argname != first_kw_arg) { if ((**argname == key) || ( (CYTHON_COMPILING_IN_PYPY || PyString_GET_SIZE(**argname) == PyString_GET_SIZE(key)) && _PyString_Eq(**argname, key))) { goto arg_passed_twice; } argname++; } } } else #endif if (likely(PyUnicode_Check(key))) { while (*name) { int cmp = (**name == key) ? 0 : #if !CYTHON_COMPILING_IN_PYPY && PY_MAJOR_VERSION >= 3 (PyUnicode_GET_SIZE(**name) != PyUnicode_GET_SIZE(key)) ? 1 : #endif PyUnicode_Compare(**name, key); if (cmp < 0 && unlikely(PyErr_Occurred())) goto bad; if (cmp == 0) { values[name-argnames] = value; break; } name++; } if (*name) continue; else { PyObject*** argname = argnames; while (argname != first_kw_arg) { int cmp = (**argname == key) ? 0 : #if !CYTHON_COMPILING_IN_PYPY && PY_MAJOR_VERSION >= 3 (PyUnicode_GET_SIZE(**argname) != PyUnicode_GET_SIZE(key)) ? 1 : #endif PyUnicode_Compare(**argname, key); if (cmp < 0 && unlikely(PyErr_Occurred())) goto bad; if (cmp == 0) goto arg_passed_twice; argname++; } } } else goto invalid_keyword_type; if (kwds2) { if (unlikely(PyDict_SetItem(kwds2, key, value))) goto bad; } else { goto invalid_keyword; } } return 0; arg_passed_twice: __Pyx_RaiseDoubleKeywordsError(function_name, key); goto bad; invalid_keyword_type: PyErr_Format(PyExc_TypeError, "%s() keywords must be strings", function_name); goto bad; invalid_keyword: PyErr_Format(PyExc_TypeError, #if PY_MAJOR_VERSION < 3 "%s() got an unexpected keyword argument '%s'", function_name, PyString_AsString(key)); #else "%s() got an unexpected keyword argument '%U'", function_name, key); #endif bad: return -1; } static int __Pyx_ArgTypeTest(PyObject *obj, PyTypeObject *type, int none_allowed, const char *name, int exact) { if (!type) { PyErr_Format(PyExc_SystemError, "Missing type object"); return 0; } if (none_allowed && obj == Py_None) return 1; else if (exact) { if (Py_TYPE(obj) == type) return 1; } else { if (PyObject_TypeCheck(obj, type)) return 1; } PyErr_Format(PyExc_TypeError, "Argument '%s' has incorrect type (expected %s, got %s)", name, type->tp_name, Py_TYPE(obj)->tp_name); return 0; } static CYTHON_INLINE int __Pyx_IsLittleEndian(void) { unsigned int n = 1; return *(unsigned char*)(&n) != 0; } static void __Pyx_BufFmt_Init(__Pyx_BufFmt_Context* ctx, __Pyx_BufFmt_StackElem* stack, __Pyx_TypeInfo* type) { stack[0].field = &ctx->root; stack[0].parent_offset = 0; ctx->root.type = type; ctx->root.name = "buffer dtype"; ctx->root.offset = 0; ctx->head = stack; ctx->head->field = &ctx->root; ctx->fmt_offset = 0; ctx->head->parent_offset = 0; ctx->new_packmode = '@'; ctx->enc_packmode = '@'; ctx->new_count = 1; ctx->enc_count = 0; ctx->enc_type = 0; ctx->is_complex = 0; ctx->is_valid_array = 0; ctx->struct_alignment = 0; while (type->typegroup == 'S') { ++ctx->head; ctx->head->field = type->fields; ctx->head->parent_offset = 0; type = type->fields->type; } } static int __Pyx_BufFmt_ParseNumber(const char** ts) { int count; const char* t = *ts; if (*t < '0' || *t > '9') { return -1; } else { count = *t++ - '0'; while (*t >= '0' && *t < '9') { count *= 10; count += *t++ - '0'; } } *ts = t; return count; } static int __Pyx_BufFmt_ExpectNumber(const char **ts) { int number = __Pyx_BufFmt_ParseNumber(ts); if (number == -1) /* First char was not a digit */ PyErr_Format(PyExc_ValueError,\ "Does not understand character buffer dtype format string ('%c')", **ts); return number; } static void __Pyx_BufFmt_RaiseUnexpectedChar(char ch) { PyErr_Format(PyExc_ValueError, "Unexpected format string character: '%c'", ch); } static const char* __Pyx_BufFmt_DescribeTypeChar(char ch, int is_complex) { switch (ch) { case 'c': return "'char'"; case 'b': return "'signed char'"; case 'B': return "'unsigned char'"; case 'h': return "'short'"; case 'H': return "'unsigned short'"; case 'i': return "'int'"; case 'I': return "'unsigned int'"; case 'l': return "'long'"; case 'L': return "'unsigned long'"; case 'q': return "'long long'"; case 'Q': return "'unsigned long long'"; case 'f': return (is_complex ? "'complex float'" : "'float'"); case 'd': return (is_complex ? "'complex double'" : "'double'"); case 'g': return (is_complex ? "'complex long double'" : "'long double'"); case 'T': return "a struct"; case 'O': return "Python object"; case 'P': return "a pointer"; case 's': case 'p': return "a string"; case 0: return "end"; default: return "unparseable format string"; } } static size_t __Pyx_BufFmt_TypeCharToStandardSize(char ch, int is_complex) { switch (ch) { case '?': case 'c': case 'b': case 'B': case 's': case 'p': return 1; case 'h': case 'H': return 2; case 'i': case 'I': case 'l': case 'L': return 4; case 'q': case 'Q': return 8; case 'f': return (is_complex ? 8 : 4); case 'd': return (is_complex ? 16 : 8); case 'g': { PyErr_SetString(PyExc_ValueError, "Python does not define a standard format string size for long double ('g').."); return 0; } case 'O': case 'P': return sizeof(void*); default: __Pyx_BufFmt_RaiseUnexpectedChar(ch); return 0; } } static size_t __Pyx_BufFmt_TypeCharToNativeSize(char ch, int is_complex) { switch (ch) { case 'c': case 'b': case 'B': case 's': case 'p': return 1; case 'h': case 'H': return sizeof(short); case 'i': case 'I': return sizeof(int); case 'l': case 'L': return sizeof(long); #ifdef HAVE_LONG_LONG case 'q': case 'Q': return sizeof(PY_LONG_LONG); #endif case 'f': return sizeof(float) * (is_complex ? 2 : 1); case 'd': return sizeof(double) * (is_complex ? 2 : 1); case 'g': return sizeof(long double) * (is_complex ? 2 : 1); case 'O': case 'P': return sizeof(void*); default: { __Pyx_BufFmt_RaiseUnexpectedChar(ch); return 0; } } } typedef struct { char c; short x; } __Pyx_st_short; typedef struct { char c; int x; } __Pyx_st_int; typedef struct { char c; long x; } __Pyx_st_long; typedef struct { char c; float x; } __Pyx_st_float; typedef struct { char c; double x; } __Pyx_st_double; typedef struct { char c; long double x; } __Pyx_st_longdouble; typedef struct { char c; void *x; } __Pyx_st_void_p; #ifdef HAVE_LONG_LONG typedef struct { char c; PY_LONG_LONG x; } __Pyx_st_longlong; #endif static size_t __Pyx_BufFmt_TypeCharToAlignment(char ch, CYTHON_UNUSED int is_complex) { switch (ch) { case '?': case 'c': case 'b': case 'B': case 's': case 'p': return 1; case 'h': case 'H': return sizeof(__Pyx_st_short) - sizeof(short); case 'i': case 'I': return sizeof(__Pyx_st_int) - sizeof(int); case 'l': case 'L': return sizeof(__Pyx_st_long) - sizeof(long); #ifdef HAVE_LONG_LONG case 'q': case 'Q': return sizeof(__Pyx_st_longlong) - sizeof(PY_LONG_LONG); #endif case 'f': return sizeof(__Pyx_st_float) - sizeof(float); case 'd': return sizeof(__Pyx_st_double) - sizeof(double); case 'g': return sizeof(__Pyx_st_longdouble) - sizeof(long double); case 'P': case 'O': return sizeof(__Pyx_st_void_p) - sizeof(void*); default: __Pyx_BufFmt_RaiseUnexpectedChar(ch); return 0; } } /* These are for computing the padding at the end of the struct to align on the first member of the struct. This will probably the same as above, but we don't have any guarantees. */ typedef struct { short x; char c; } __Pyx_pad_short; typedef struct { int x; char c; } __Pyx_pad_int; typedef struct { long x; char c; } __Pyx_pad_long; typedef struct { float x; char c; } __Pyx_pad_float; typedef struct { double x; char c; } __Pyx_pad_double; typedef struct { long double x; char c; } __Pyx_pad_longdouble; typedef struct { void *x; char c; } __Pyx_pad_void_p; #ifdef HAVE_LONG_LONG typedef struct { PY_LONG_LONG x; char c; } __Pyx_pad_longlong; #endif static size_t __Pyx_BufFmt_TypeCharToPadding(char ch, CYTHON_UNUSED int is_complex) { switch (ch) { case '?': case 'c': case 'b': case 'B': case 's': case 'p': return 1; case 'h': case 'H': return sizeof(__Pyx_pad_short) - sizeof(short); case 'i': case 'I': return sizeof(__Pyx_pad_int) - sizeof(int); case 'l': case 'L': return sizeof(__Pyx_pad_long) - sizeof(long); #ifdef HAVE_LONG_LONG case 'q': case 'Q': return sizeof(__Pyx_pad_longlong) - sizeof(PY_LONG_LONG); #endif case 'f': return sizeof(__Pyx_pad_float) - sizeof(float); case 'd': return sizeof(__Pyx_pad_double) - sizeof(double); case 'g': return sizeof(__Pyx_pad_longdouble) - sizeof(long double); case 'P': case 'O': return sizeof(__Pyx_pad_void_p) - sizeof(void*); default: __Pyx_BufFmt_RaiseUnexpectedChar(ch); return 0; } } static char __Pyx_BufFmt_TypeCharToGroup(char ch, int is_complex) { switch (ch) { case 'c': return 'H'; case 'b': case 'h': case 'i': case 'l': case 'q': case 's': case 'p': return 'I'; case 'B': case 'H': case 'I': case 'L': case 'Q': return 'U'; case 'f': case 'd': case 'g': return (is_complex ? 'C' : 'R'); case 'O': return 'O'; case 'P': return 'P'; default: { __Pyx_BufFmt_RaiseUnexpectedChar(ch); return 0; } } } static void __Pyx_BufFmt_RaiseExpected(__Pyx_BufFmt_Context* ctx) { if (ctx->head == NULL || ctx->head->field == &ctx->root) { const char* expected; const char* quote; if (ctx->head == NULL) { expected = "end"; quote = ""; } else { expected = ctx->head->field->type->name; quote = "'"; } PyErr_Format(PyExc_ValueError, "Buffer dtype mismatch, expected %s%s%s but got %s", quote, expected, quote, __Pyx_BufFmt_DescribeTypeChar(ctx->enc_type, ctx->is_complex)); } else { __Pyx_StructField* field = ctx->head->field; __Pyx_StructField* parent = (ctx->head - 1)->field; PyErr_Format(PyExc_ValueError, "Buffer dtype mismatch, expected '%s' but got %s in '%s.%s'", field->type->name, __Pyx_BufFmt_DescribeTypeChar(ctx->enc_type, ctx->is_complex), parent->type->name, field->name); } } static int __Pyx_BufFmt_ProcessTypeChunk(__Pyx_BufFmt_Context* ctx) { char group; size_t size, offset, arraysize = 1; if (ctx->enc_type == 0) return 0; if (ctx->head->field->type->arraysize[0]) { int i, ndim = 0; if (ctx->enc_type == 's' || ctx->enc_type == 'p') { ctx->is_valid_array = ctx->head->field->type->ndim == 1; ndim = 1; if (ctx->enc_count != ctx->head->field->type->arraysize[0]) { PyErr_Format(PyExc_ValueError, "Expected a dimension of size %zu, got %zu", ctx->head->field->type->arraysize[0], ctx->enc_count); return -1; } } if (!ctx->is_valid_array) { PyErr_Format(PyExc_ValueError, "Expected %d dimensions, got %d", ctx->head->field->type->ndim, ndim); return -1; } for (i = 0; i < ctx->head->field->type->ndim; i++) { arraysize *= ctx->head->field->type->arraysize[i]; } ctx->is_valid_array = 0; ctx->enc_count = 1; } group = __Pyx_BufFmt_TypeCharToGroup(ctx->enc_type, ctx->is_complex); do { __Pyx_StructField* field = ctx->head->field; __Pyx_TypeInfo* type = field->type; if (ctx->enc_packmode == '@' || ctx->enc_packmode == '^') { size = __Pyx_BufFmt_TypeCharToNativeSize(ctx->enc_type, ctx->is_complex); } else { size = __Pyx_BufFmt_TypeCharToStandardSize(ctx->enc_type, ctx->is_complex); } if (ctx->enc_packmode == '@') { size_t align_at = __Pyx_BufFmt_TypeCharToAlignment(ctx->enc_type, ctx->is_complex); size_t align_mod_offset; if (align_at == 0) return -1; align_mod_offset = ctx->fmt_offset % align_at; if (align_mod_offset > 0) ctx->fmt_offset += align_at - align_mod_offset; if (ctx->struct_alignment == 0) ctx->struct_alignment = __Pyx_BufFmt_TypeCharToPadding(ctx->enc_type, ctx->is_complex); } if (type->size != size || type->typegroup != group) { if (type->typegroup == 'C' && type->fields != NULL) { size_t parent_offset = ctx->head->parent_offset + field->offset; ++ctx->head; ctx->head->field = type->fields; ctx->head->parent_offset = parent_offset; continue; } if ((type->typegroup == 'H' || group == 'H') && type->size == size) { } else { __Pyx_BufFmt_RaiseExpected(ctx); return -1; } } offset = ctx->head->parent_offset + field->offset; if (ctx->fmt_offset != offset) { PyErr_Format(PyExc_ValueError, "Buffer dtype mismatch; next field is at offset %" CYTHON_FORMAT_SSIZE_T "d but %" CYTHON_FORMAT_SSIZE_T "d expected", (Py_ssize_t)ctx->fmt_offset, (Py_ssize_t)offset); return -1; } ctx->fmt_offset += size; if (arraysize) ctx->fmt_offset += (arraysize - 1) * size; --ctx->enc_count; /* Consume from buffer string */ while (1) { if (field == &ctx->root) { ctx->head = NULL; if (ctx->enc_count != 0) { __Pyx_BufFmt_RaiseExpected(ctx); return -1; } break; /* breaks both loops as ctx->enc_count == 0 */ } ctx->head->field = ++field; if (field->type == NULL) { --ctx->head; field = ctx->head->field; continue; } else if (field->type->typegroup == 'S') { size_t parent_offset = ctx->head->parent_offset + field->offset; if (field->type->fields->type == NULL) continue; /* empty struct */ field = field->type->fields; ++ctx->head; ctx->head->field = field; ctx->head->parent_offset = parent_offset; break; } else { break; } } } while (ctx->enc_count); ctx->enc_type = 0; ctx->is_complex = 0; return 0; } static CYTHON_INLINE PyObject * __pyx_buffmt_parse_array(__Pyx_BufFmt_Context* ctx, const char** tsp) { const char *ts = *tsp; int i = 0, number; int ndim = ctx->head->field->type->ndim; ; ++ts; if (ctx->new_count != 1) { PyErr_SetString(PyExc_ValueError, "Cannot handle repeated arrays in format string"); return NULL; } if (__Pyx_BufFmt_ProcessTypeChunk(ctx) == -1) return NULL; while (*ts && *ts != ')') { if (isspace(*ts)) continue; number = __Pyx_BufFmt_ExpectNumber(&ts); if (number == -1) return NULL; if (i < ndim && (size_t) number != ctx->head->field->type->arraysize[i]) return PyErr_Format(PyExc_ValueError, "Expected a dimension of size %zu, got %d", ctx->head->field->type->arraysize[i], number); if (*ts != ',' && *ts != ')') return PyErr_Format(PyExc_ValueError, "Expected a comma in format string, got '%c'", *ts); if (*ts == ',') ts++; i++; } if (i != ndim) return PyErr_Format(PyExc_ValueError, "Expected %d dimension(s), got %d", ctx->head->field->type->ndim, i); if (!*ts) { PyErr_SetString(PyExc_ValueError, "Unexpected end of format string, expected ')'"); return NULL; } ctx->is_valid_array = 1; ctx->new_count = 1; *tsp = ++ts; return Py_None; } static const char* __Pyx_BufFmt_CheckString(__Pyx_BufFmt_Context* ctx, const char* ts) { int got_Z = 0; while (1) { switch(*ts) { case 0: if (ctx->enc_type != 0 && ctx->head == NULL) { __Pyx_BufFmt_RaiseExpected(ctx); return NULL; } if (__Pyx_BufFmt_ProcessTypeChunk(ctx) == -1) return NULL; if (ctx->head != NULL) { __Pyx_BufFmt_RaiseExpected(ctx); return NULL; } return ts; case ' ': case 10: case 13: ++ts; break; case '<': if (!__Pyx_IsLittleEndian()) { PyErr_SetString(PyExc_ValueError, "Little-endian buffer not supported on big-endian compiler"); return NULL; } ctx->new_packmode = '='; ++ts; break; case '>': case '!': if (__Pyx_IsLittleEndian()) { PyErr_SetString(PyExc_ValueError, "Big-endian buffer not supported on little-endian compiler"); return NULL; } ctx->new_packmode = '='; ++ts; break; case '=': case '@': case '^': ctx->new_packmode = *ts++; break; case 'T': /* substruct */ { const char* ts_after_sub; size_t i, struct_count = ctx->new_count; size_t struct_alignment = ctx->struct_alignment; ctx->new_count = 1; ++ts; if (*ts != '{') { PyErr_SetString(PyExc_ValueError, "Buffer acquisition: Expected '{' after 'T'"); return NULL; } if (__Pyx_BufFmt_ProcessTypeChunk(ctx) == -1) return NULL; ctx->enc_type = 0; /* Erase processed last struct element */ ctx->enc_count = 0; ctx->struct_alignment = 0; ++ts; ts_after_sub = ts; for (i = 0; i != struct_count; ++i) { ts_after_sub = __Pyx_BufFmt_CheckString(ctx, ts); if (!ts_after_sub) return NULL; } ts = ts_after_sub; if (struct_alignment) ctx->struct_alignment = struct_alignment; } break; case '}': /* end of substruct; either repeat or move on */ { size_t alignment = ctx->struct_alignment; ++ts; if (__Pyx_BufFmt_ProcessTypeChunk(ctx) == -1) return NULL; ctx->enc_type = 0; /* Erase processed last struct element */ if (alignment && ctx->fmt_offset % alignment) { ctx->fmt_offset += alignment - (ctx->fmt_offset % alignment); } } return ts; case 'x': if (__Pyx_BufFmt_ProcessTypeChunk(ctx) == -1) return NULL; ctx->fmt_offset += ctx->new_count; ctx->new_count = 1; ctx->enc_count = 0; ctx->enc_type = 0; ctx->enc_packmode = ctx->new_packmode; ++ts; break; case 'Z': got_Z = 1; ++ts; if (*ts != 'f' && *ts != 'd' && *ts != 'g') { __Pyx_BufFmt_RaiseUnexpectedChar('Z'); return NULL; } /* fall through */ case 'c': case 'b': case 'B': case 'h': case 'H': case 'i': case 'I': case 'l': case 'L': case 'q': case 'Q': case 'f': case 'd': case 'g': case 'O': case 's': case 'p': if (ctx->enc_type == *ts && got_Z == ctx->is_complex && ctx->enc_packmode == ctx->new_packmode) { ctx->enc_count += ctx->new_count; } else { if (__Pyx_BufFmt_ProcessTypeChunk(ctx) == -1) return NULL; ctx->enc_count = ctx->new_count; ctx->enc_packmode = ctx->new_packmode; ctx->enc_type = *ts; ctx->is_complex = got_Z; } ++ts; ctx->new_count = 1; got_Z = 0; break; case ':': ++ts; while(*ts != ':') ++ts; ++ts; break; case '(': if (!__pyx_buffmt_parse_array(ctx, &ts)) return NULL; break; default: { int number = __Pyx_BufFmt_ExpectNumber(&ts); if (number == -1) return NULL; ctx->new_count = (size_t)number; } } } } static CYTHON_INLINE void __Pyx_ZeroBuffer(Py_buffer* buf) { buf->buf = NULL; buf->obj = NULL; buf->strides = __Pyx_zeros; buf->shape = __Pyx_zeros; buf->suboffsets = __Pyx_minusones; } static CYTHON_INLINE int __Pyx_GetBufferAndValidate( Py_buffer* buf, PyObject* obj, __Pyx_TypeInfo* dtype, int flags, int nd, int cast, __Pyx_BufFmt_StackElem* stack) { if (obj == Py_None || obj == NULL) { __Pyx_ZeroBuffer(buf); return 0; } buf->buf = NULL; if (__Pyx_GetBuffer(obj, buf, flags) == -1) goto fail; if (buf->ndim != nd) { PyErr_Format(PyExc_ValueError, "Buffer has wrong number of dimensions (expected %d, got %d)", nd, buf->ndim); goto fail; } if (!cast) { __Pyx_BufFmt_Context ctx; __Pyx_BufFmt_Init(&ctx, stack, dtype); if (!__Pyx_BufFmt_CheckString(&ctx, buf->format)) goto fail; } if ((unsigned)buf->itemsize != dtype->size) { PyErr_Format(PyExc_ValueError, "Item size of buffer (%" CYTHON_FORMAT_SSIZE_T "d byte%s) does not match size of '%s' (%" CYTHON_FORMAT_SSIZE_T "d byte%s)", buf->itemsize, (buf->itemsize > 1) ? "s" : "", dtype->name, (Py_ssize_t)dtype->size, (dtype->size > 1) ? "s" : ""); goto fail; } if (buf->suboffsets == NULL) buf->suboffsets = __Pyx_minusones; return 0; fail:; __Pyx_ZeroBuffer(buf); return -1; } static CYTHON_INLINE void __Pyx_SafeReleaseBuffer(Py_buffer* info) { if (info->buf == NULL) return; if (info->suboffsets == __Pyx_minusones) info->suboffsets = NULL; __Pyx_ReleaseBuffer(info); } static CYTHON_INLINE PyObject *__Pyx_GetModuleGlobalName(PyObject *name) { PyObject *result; #if CYTHON_COMPILING_IN_CPYTHON result = PyDict_GetItem(__pyx_d, name); if (result) { Py_INCREF(result); } else { #else result = PyObject_GetItem(__pyx_d, name); if (!result) { PyErr_Clear(); #endif result = __Pyx_GetBuiltinName(name); } return result; } static CYTHON_INLINE PyObject *__Pyx_GetItemInt_Generic(PyObject *o, PyObject* j) { PyObject *r; if (!j) return NULL; r = PyObject_GetItem(o, j); Py_DECREF(j); return r; } static CYTHON_INLINE PyObject *__Pyx_GetItemInt_List_Fast(PyObject *o, Py_ssize_t i, int wraparound, int boundscheck) { #if CYTHON_COMPILING_IN_CPYTHON if (wraparound & unlikely(i < 0)) i += PyList_GET_SIZE(o); if ((!boundscheck) || likely((0 <= i) & (i < PyList_GET_SIZE(o)))) { PyObject *r = PyList_GET_ITEM(o, i); Py_INCREF(r); return r; } return __Pyx_GetItemInt_Generic(o, PyInt_FromSsize_t(i)); #else return PySequence_GetItem(o, i); #endif } static CYTHON_INLINE PyObject *__Pyx_GetItemInt_Tuple_Fast(PyObject *o, Py_ssize_t i, int wraparound, int boundscheck) { #if CYTHON_COMPILING_IN_CPYTHON if (wraparound & unlikely(i < 0)) i += PyTuple_GET_SIZE(o); if ((!boundscheck) || likely((0 <= i) & (i < PyTuple_GET_SIZE(o)))) { PyObject *r = PyTuple_GET_ITEM(o, i); Py_INCREF(r); return r; } return __Pyx_GetItemInt_Generic(o, PyInt_FromSsize_t(i)); #else return PySequence_GetItem(o, i); #endif } static CYTHON_INLINE PyObject *__Pyx_GetItemInt_Fast(PyObject *o, Py_ssize_t i, int is_list, int wraparound, int boundscheck) { #if CYTHON_COMPILING_IN_CPYTHON if (is_list || PyList_CheckExact(o)) { Py_ssize_t n = ((!wraparound) | likely(i >= 0)) ? i : i + PyList_GET_SIZE(o); if ((!boundscheck) || (likely((n >= 0) & (n < PyList_GET_SIZE(o))))) { PyObject *r = PyList_GET_ITEM(o, n); Py_INCREF(r); return r; } } else if (PyTuple_CheckExact(o)) { Py_ssize_t n = ((!wraparound) | likely(i >= 0)) ? i : i + PyTuple_GET_SIZE(o); if ((!boundscheck) || likely((n >= 0) & (n < PyTuple_GET_SIZE(o)))) { PyObject *r = PyTuple_GET_ITEM(o, n); Py_INCREF(r); return r; } } else { PySequenceMethods *m = Py_TYPE(o)->tp_as_sequence; if (likely(m && m->sq_item)) { if (wraparound && unlikely(i < 0) && likely(m->sq_length)) { Py_ssize_t l = m->sq_length(o); if (likely(l >= 0)) { i += l; } else { if (PyErr_ExceptionMatches(PyExc_OverflowError)) PyErr_Clear(); else return NULL; } } return m->sq_item(o, i); } } #else if (is_list || PySequence_Check(o)) { return PySequence_GetItem(o, i); } #endif return __Pyx_GetItemInt_Generic(o, PyInt_FromSsize_t(i)); } static CYTHON_INLINE void __Pyx_ErrRestore(PyObject *type, PyObject *value, PyObject *tb) { #if CYTHON_COMPILING_IN_CPYTHON PyObject *tmp_type, *tmp_value, *tmp_tb; PyThreadState *tstate = PyThreadState_GET(); tmp_type = tstate->curexc_type; tmp_value = tstate->curexc_value; tmp_tb = tstate->curexc_traceback; tstate->curexc_type = type; tstate->curexc_value = value; tstate->curexc_traceback = tb; Py_XDECREF(tmp_type); Py_XDECREF(tmp_value); Py_XDECREF(tmp_tb); #else PyErr_Restore(type, value, tb); #endif } static CYTHON_INLINE void __Pyx_ErrFetch(PyObject **type, PyObject **value, PyObject **tb) { #if CYTHON_COMPILING_IN_CPYTHON PyThreadState *tstate = PyThreadState_GET(); *type = tstate->curexc_type; *value = tstate->curexc_value; *tb = tstate->curexc_traceback; tstate->curexc_type = 0; tstate->curexc_value = 0; tstate->curexc_traceback = 0; #else PyErr_Fetch(type, value, tb); #endif } #if PY_MAJOR_VERSION < 3 static void __Pyx_Raise(PyObject *type, PyObject *value, PyObject *tb, CYTHON_UNUSED PyObject *cause) { Py_XINCREF(type); if (!value || value == Py_None) value = NULL; else Py_INCREF(value); if (!tb || tb == Py_None) tb = NULL; else { Py_INCREF(tb); if (!PyTraceBack_Check(tb)) { PyErr_SetString(PyExc_TypeError, "raise: arg 3 must be a traceback or None"); goto raise_error; } } #if PY_VERSION_HEX < 0x02050000 if (PyClass_Check(type)) { #else if (PyType_Check(type)) { #endif #if CYTHON_COMPILING_IN_PYPY if (!value) { Py_INCREF(Py_None); value = Py_None; } #endif PyErr_NormalizeException(&type, &value, &tb); } else { if (value) { PyErr_SetString(PyExc_TypeError, "instance exception may not have a separate value"); goto raise_error; } value = type; #if PY_VERSION_HEX < 0x02050000 if (PyInstance_Check(type)) { type = (PyObject*) ((PyInstanceObject*)type)->in_class; Py_INCREF(type); } else { type = 0; PyErr_SetString(PyExc_TypeError, "raise: exception must be an old-style class or instance"); goto raise_error; } #else type = (PyObject*) Py_TYPE(type); Py_INCREF(type); if (!PyType_IsSubtype((PyTypeObject *)type, (PyTypeObject *)PyExc_BaseException)) { PyErr_SetString(PyExc_TypeError, "raise: exception class must be a subclass of BaseException"); goto raise_error; } #endif } __Pyx_ErrRestore(type, value, tb); return; raise_error: Py_XDECREF(value); Py_XDECREF(type); Py_XDECREF(tb); return; } #else /* Python 3+ */ static void __Pyx_Raise(PyObject *type, PyObject *value, PyObject *tb, PyObject *cause) { PyObject* owned_instance = NULL; if (tb == Py_None) { tb = 0; } else if (tb && !PyTraceBack_Check(tb)) { PyErr_SetString(PyExc_TypeError, "raise: arg 3 must be a traceback or None"); goto bad; } if (value == Py_None) value = 0; if (PyExceptionInstance_Check(type)) { if (value) { PyErr_SetString(PyExc_TypeError, "instance exception may not have a separate value"); goto bad; } value = type; type = (PyObject*) Py_TYPE(value); } else if (PyExceptionClass_Check(type)) { PyObject *args; if (!value) args = PyTuple_New(0); else if (PyTuple_Check(value)) { Py_INCREF(value); args = value; } else args = PyTuple_Pack(1, value); if (!args) goto bad; owned_instance = PyEval_CallObject(type, args); Py_DECREF(args); if (!owned_instance) goto bad; value = owned_instance; if (!PyExceptionInstance_Check(value)) { PyErr_Format(PyExc_TypeError, "calling %R should have returned an instance of " "BaseException, not %R", type, Py_TYPE(value)); goto bad; } } else { PyErr_SetString(PyExc_TypeError, "raise: exception class must be a subclass of BaseException"); goto bad; } #if PY_VERSION_HEX >= 0x03030000 if (cause) { #else if (cause && cause != Py_None) { #endif PyObject *fixed_cause; if (cause == Py_None) { fixed_cause = NULL; } else if (PyExceptionClass_Check(cause)) { fixed_cause = PyObject_CallObject(cause, NULL); if (fixed_cause == NULL) goto bad; } else if (PyExceptionInstance_Check(cause)) { fixed_cause = cause; Py_INCREF(fixed_cause); } else { PyErr_SetString(PyExc_TypeError, "exception causes must derive from " "BaseException"); goto bad; } PyException_SetCause(value, fixed_cause); } PyErr_SetObject(type, value); if (tb) { PyThreadState *tstate = PyThreadState_GET(); PyObject* tmp_tb = tstate->curexc_traceback; if (tb != tmp_tb) { Py_INCREF(tb); tstate->curexc_traceback = tb; Py_XDECREF(tmp_tb); } } bad: Py_XDECREF(owned_instance); return; } #endif static int __Pyx_init_memviewslice(struct __pyx_memoryview_obj *memview, int ndim, __Pyx_memviewslice *memviewslice, int memview_is_new_reference) { __Pyx_RefNannyDeclarations int i, retval=-1; Py_buffer *buf = &memview->view; __Pyx_RefNannySetupContext("init_memviewslice", 0); if (!buf) { PyErr_SetString(PyExc_ValueError, "buf is NULL."); goto fail; } else if (memviewslice->memview || memviewslice->data) { PyErr_SetString(PyExc_ValueError, "memviewslice is already initialized!"); goto fail; } if (buf->strides) { for (i = 0; i < ndim; i++) { memviewslice->strides[i] = buf->strides[i]; } } else { Py_ssize_t stride = buf->itemsize; for (i = ndim - 1; i >= 0; i--) { memviewslice->strides[i] = stride; stride *= buf->shape[i]; } } for (i = 0; i < ndim; i++) { memviewslice->shape[i] = buf->shape[i]; if (buf->suboffsets) { memviewslice->suboffsets[i] = buf->suboffsets[i]; } else { memviewslice->suboffsets[i] = -1; } } memviewslice->memview = memview; memviewslice->data = (char *)buf->buf; if (__pyx_add_acquisition_count(memview) == 0 && !memview_is_new_reference) { Py_INCREF(memview); } retval = 0; goto no_fail; fail: memviewslice->memview = 0; memviewslice->data = 0; retval = -1; no_fail: __Pyx_RefNannyFinishContext(); return retval; } static CYTHON_INLINE void __pyx_fatalerror(const char *fmt, ...) { va_list vargs; char msg[200]; va_start(vargs, fmt); #ifdef HAVE_STDARG_PROTOTYPES va_start(vargs, fmt); #else va_start(vargs); #endif vsnprintf(msg, 200, fmt, vargs); Py_FatalError(msg); va_end(vargs); } static CYTHON_INLINE int __pyx_add_acquisition_count_locked(__pyx_atomic_int *acquisition_count, PyThread_type_lock lock) { int result; PyThread_acquire_lock(lock, 1); result = (*acquisition_count)++; PyThread_release_lock(lock); return result; } static CYTHON_INLINE int __pyx_sub_acquisition_count_locked(__pyx_atomic_int *acquisition_count, PyThread_type_lock lock) { int result; PyThread_acquire_lock(lock, 1); result = (*acquisition_count)--; PyThread_release_lock(lock); return result; } static CYTHON_INLINE void __Pyx_INC_MEMVIEW(__Pyx_memviewslice *memslice, int have_gil, int lineno) { int first_time; struct __pyx_memoryview_obj *memview = memslice->memview; if (!memview || (PyObject *) memview == Py_None) return; /* allow uninitialized memoryview assignment */ if (__pyx_get_slice_count(memview) < 0) __pyx_fatalerror("Acquisition count is %d (line %d)", __pyx_get_slice_count(memview), lineno); first_time = __pyx_add_acquisition_count(memview) == 0; if (first_time) { if (have_gil) { Py_INCREF((PyObject *) memview); } else { PyGILState_STATE _gilstate = PyGILState_Ensure(); Py_INCREF((PyObject *) memview); PyGILState_Release(_gilstate); } } } static CYTHON_INLINE void __Pyx_XDEC_MEMVIEW(__Pyx_memviewslice *memslice, int have_gil, int lineno) { int last_time; struct __pyx_memoryview_obj *memview = memslice->memview; if (!memview ) { return; } else if ((PyObject *) memview == Py_None) { memslice->memview = NULL; return; } if (__pyx_get_slice_count(memview) <= 0) __pyx_fatalerror("Acquisition count is %d (line %d)", __pyx_get_slice_count(memview), lineno); last_time = __pyx_sub_acquisition_count(memview) == 1; memslice->data = NULL; if (last_time) { if (have_gil) { Py_CLEAR(memslice->memview); } else { PyGILState_STATE _gilstate = PyGILState_Ensure(); Py_CLEAR(memslice->memview); PyGILState_Release(_gilstate); } } else { memslice->memview = NULL; } } static CYTHON_INLINE void __Pyx_RaiseTooManyValuesError(Py_ssize_t expected) { PyErr_Format(PyExc_ValueError, "too many values to unpack (expected %" CYTHON_FORMAT_SSIZE_T "d)", expected); } static CYTHON_INLINE void __Pyx_RaiseNeedMoreValuesError(Py_ssize_t index) { PyErr_Format(PyExc_ValueError, "need more than %" CYTHON_FORMAT_SSIZE_T "d value%s to unpack", index, (index == 1) ? "" : "s"); } static CYTHON_INLINE void __Pyx_RaiseNoneNotIterableError(void) { PyErr_SetString(PyExc_TypeError, "'NoneType' object is not iterable"); } static CYTHON_INLINE int __Pyx_IterFinish(void) { #if CYTHON_COMPILING_IN_CPYTHON PyThreadState *tstate = PyThreadState_GET(); PyObject* exc_type = tstate->curexc_type; if (unlikely(exc_type)) { if (likely(exc_type == PyExc_StopIteration) || PyErr_GivenExceptionMatches(exc_type, PyExc_StopIteration)) { PyObject *exc_value, *exc_tb; exc_value = tstate->curexc_value; exc_tb = tstate->curexc_traceback; tstate->curexc_type = 0; tstate->curexc_value = 0; tstate->curexc_traceback = 0; Py_DECREF(exc_type); Py_XDECREF(exc_value); Py_XDECREF(exc_tb); return 0; } else { return -1; } } return 0; #else if (unlikely(PyErr_Occurred())) { if (likely(PyErr_ExceptionMatches(PyExc_StopIteration))) { PyErr_Clear(); return 0; } else { return -1; } } return 0; #endif } static int __Pyx_IternextUnpackEndCheck(PyObject *retval, Py_ssize_t expected) { if (unlikely(retval)) { Py_DECREF(retval); __Pyx_RaiseTooManyValuesError(expected); return -1; } else { return __Pyx_IterFinish(); } return 0; } static CYTHON_INLINE int __Pyx_TypeTest(PyObject *obj, PyTypeObject *type) { if (unlikely(!type)) { PyErr_Format(PyExc_SystemError, "Missing type object"); return 0; } if (likely(PyObject_TypeCheck(obj, type))) return 1; PyErr_Format(PyExc_TypeError, "Cannot convert %.200s to %.200s", Py_TYPE(obj)->tp_name, type->tp_name); return 0; } static CYTHON_INLINE PyObject *__Pyx_GetAttr(PyObject *o, PyObject *n) { #if CYTHON_COMPILING_IN_CPYTHON #if PY_MAJOR_VERSION >= 3 if (likely(PyUnicode_Check(n))) #else if (likely(PyString_Check(n))) #endif return __Pyx_PyObject_GetAttrStr(o, n); #endif return PyObject_GetAttr(o, n); } static CYTHON_INLINE PyObject *__Pyx_GetAttr3(PyObject *o, PyObject *n, PyObject *d) { PyObject *r = __Pyx_GetAttr(o, n); if (!r) { if (!PyErr_ExceptionMatches(PyExc_AttributeError)) goto bad; PyErr_Clear(); r = d; Py_INCREF(d); } return r; bad: return NULL; } static CYTHON_INLINE Py_ssize_t __Pyx_div_Py_ssize_t(Py_ssize_t a, Py_ssize_t b) { Py_ssize_t q = a / b; Py_ssize_t r = a - q*b; q -= ((r != 0) & ((r ^ b) < 0)); return q; } static CYTHON_INLINE int __Pyx_PyUnicode_Equals(PyObject* s1, PyObject* s2, int equals) { #if CYTHON_COMPILING_IN_PYPY return PyObject_RichCompareBool(s1, s2, equals); #else if (s1 == s2) { return (equals == Py_EQ); } else if (PyUnicode_CheckExact(s1) & PyUnicode_CheckExact(s2)) { #if CYTHON_PEP393_ENABLED if ((PyUnicode_READY(s1) < 0) || (PyUnicode_READY(s2) < 0)) return -1; if (PyUnicode_GET_LENGTH(s1) != PyUnicode_GET_LENGTH(s2)) { return (equals == Py_NE); } else if (PyUnicode_GET_LENGTH(s1) == 1) { Py_UCS4 ch1 = PyUnicode_READ_CHAR(s1, 0); Py_UCS4 ch2 = PyUnicode_READ_CHAR(s2, 0); return (equals == Py_EQ) ? (ch1 == ch2) : (ch1 != ch2); #else if (PyUnicode_GET_SIZE(s1) != PyUnicode_GET_SIZE(s2)) { return (equals == Py_NE); } else if (PyUnicode_GET_SIZE(s1) == 1) { Py_UNICODE ch1 = PyUnicode_AS_UNICODE(s1)[0]; Py_UNICODE ch2 = PyUnicode_AS_UNICODE(s2)[0]; return (equals == Py_EQ) ? (ch1 == ch2) : (ch1 != ch2); #endif } else { int result = PyUnicode_Compare(s1, s2); if ((result == -1) && unlikely(PyErr_Occurred())) return -1; return (equals == Py_EQ) ? (result == 0) : (result != 0); } } else if ((s1 == Py_None) & PyUnicode_CheckExact(s2)) { return (equals == Py_NE); } else if ((s2 == Py_None) & PyUnicode_CheckExact(s1)) { return (equals == Py_NE); } else { int result; PyObject* py_result = PyObject_RichCompare(s1, s2, equals); if (!py_result) return -1; result = __Pyx_PyObject_IsTrue(py_result); Py_DECREF(py_result); return result; } #endif } static CYTHON_INLINE PyObject* __Pyx_decode_c_string( const char* cstring, Py_ssize_t start, Py_ssize_t stop, const char* encoding, const char* errors, PyObject* (*decode_func)(const char *s, Py_ssize_t size, const char *errors)) { Py_ssize_t length; if (unlikely((start < 0) | (stop < 0))) { length = strlen(cstring); if (start < 0) { start += length; if (start < 0) start = 0; } if (stop < 0) stop += length; } length = stop - start; if (unlikely(length <= 0)) return PyUnicode_FromUnicode(NULL, 0); cstring += start; if (decode_func) { return decode_func(cstring, length, errors); } else { return PyUnicode_Decode(cstring, length, encoding, errors); } } static int __Pyx_GetException(PyObject **type, PyObject **value, PyObject **tb) { PyObject *local_type, *local_value, *local_tb; #if CYTHON_COMPILING_IN_CPYTHON PyObject *tmp_type, *tmp_value, *tmp_tb; PyThreadState *tstate = PyThreadState_GET(); local_type = tstate->curexc_type; local_value = tstate->curexc_value; local_tb = tstate->curexc_traceback; tstate->curexc_type = 0; tstate->curexc_value = 0; tstate->curexc_traceback = 0; #else PyErr_Fetch(&local_type, &local_value, &local_tb); #endif PyErr_NormalizeException(&local_type, &local_value, &local_tb); #if CYTHON_COMPILING_IN_CPYTHON if (unlikely(tstate->curexc_type)) #else if (unlikely(PyErr_Occurred())) #endif goto bad; #if PY_MAJOR_VERSION >= 3 if (unlikely(PyException_SetTraceback(local_value, local_tb) < 0)) goto bad; #endif Py_INCREF(local_type); Py_INCREF(local_value); Py_INCREF(local_tb); *type = local_type; *value = local_value; *tb = local_tb; #if CYTHON_COMPILING_IN_CPYTHON tmp_type = tstate->exc_type; tmp_value = tstate->exc_value; tmp_tb = tstate->exc_traceback; tstate->exc_type = local_type; tstate->exc_value = local_value; tstate->exc_traceback = local_tb; /* Make sure tstate is in a consistent state when we XDECREF these objects (DECREF may run arbitrary code). */ Py_XDECREF(tmp_type); Py_XDECREF(tmp_value); Py_XDECREF(tmp_tb); #else PyErr_SetExcInfo(local_type, local_value, local_tb); #endif return 0; bad: *type = 0; *value = 0; *tb = 0; Py_XDECREF(local_type); Py_XDECREF(local_value); Py_XDECREF(local_tb); return -1; } static CYTHON_INLINE void __Pyx_RaiseUnboundLocalError(const char *varname) { PyErr_Format(PyExc_UnboundLocalError, "local variable '%s' referenced before assignment", varname); } static CYTHON_INLINE long __Pyx_div_long(long a, long b) { long q = a / b; long r = a - q*b; q -= ((r != 0) & ((r ^ b) < 0)); return q; } static void __Pyx_WriteUnraisable(const char *name, CYTHON_UNUSED int clineno, CYTHON_UNUSED int lineno, CYTHON_UNUSED const char *filename) { PyObject *old_exc, *old_val, *old_tb; PyObject *ctx; __Pyx_ErrFetch(&old_exc, &old_val, &old_tb); #if PY_MAJOR_VERSION < 3 ctx = PyString_FromString(name); #else ctx = PyUnicode_FromString(name); #endif __Pyx_ErrRestore(old_exc, old_val, old_tb); if (!ctx) { PyErr_WriteUnraisable(Py_None); } else { PyErr_WriteUnraisable(ctx); Py_DECREF(ctx); } } static int __Pyx_SetVtable(PyObject *dict, void *vtable) { #if PY_VERSION_HEX >= 0x02070000 && !(PY_MAJOR_VERSION==3&&PY_MINOR_VERSION==0) PyObject *ob = PyCapsule_New(vtable, 0, 0); #else PyObject *ob = PyCObject_FromVoidPtr(vtable, 0); #endif if (!ob) goto bad; if (PyDict_SetItem(dict, __pyx_n_s____pyx_vtable__, ob) < 0) goto bad; Py_DECREF(ob); return 0; bad: Py_XDECREF(ob); return -1; } #if PY_MAJOR_VERSION < 3 static int __Pyx_GetBuffer(PyObject *obj, Py_buffer *view, int flags) { #if PY_VERSION_HEX >= 0x02060000 if (PyObject_CheckBuffer(obj)) return PyObject_GetBuffer(obj, view, flags); #endif if (PyObject_TypeCheck(obj, __pyx_ptype_5numpy_ndarray)) return __pyx_pw_5numpy_7ndarray_1__getbuffer__(obj, view, flags); if (PyObject_TypeCheck(obj, __pyx_array_type)) return __pyx_array_getbuffer(obj, view, flags); if (PyObject_TypeCheck(obj, __pyx_memoryview_type)) return __pyx_memoryview_getbuffer(obj, view, flags); #if PY_VERSION_HEX < 0x02060000 if (obj->ob_type->tp_dict) { PyObject *getbuffer_cobj = PyObject_GetItem( obj->ob_type->tp_dict, __pyx_n_s____pyx_getbuffer); if (getbuffer_cobj) { getbufferproc func = (getbufferproc) PyCObject_AsVoidPtr(getbuffer_cobj); Py_DECREF(getbuffer_cobj); if (!func) goto fail; return func(obj, view, flags); } else { PyErr_Clear(); } } #endif PyErr_Format(PyExc_TypeError, "'%100s' does not have the buffer interface", Py_TYPE(obj)->tp_name); #if PY_VERSION_HEX < 0x02060000 fail: #endif return -1; } static void __Pyx_ReleaseBuffer(Py_buffer *view) { PyObject *obj = view->obj; if (!obj) return; #if PY_VERSION_HEX >= 0x02060000 if (PyObject_CheckBuffer(obj)) { PyBuffer_Release(view); return; } #endif if (PyObject_TypeCheck(obj, __pyx_ptype_5numpy_ndarray)) { __pyx_pw_5numpy_7ndarray_3__releasebuffer__(obj, view); return; } #if PY_VERSION_HEX < 0x02060000 if (obj->ob_type->tp_dict) { PyObject *releasebuffer_cobj = PyObject_GetItem( obj->ob_type->tp_dict, __pyx_n_s____pyx_releasebuffer); if (releasebuffer_cobj) { releasebufferproc func = (releasebufferproc) PyCObject_AsVoidPtr(releasebuffer_cobj); Py_DECREF(releasebuffer_cobj); if (!func) goto fail; func(obj, view); return; } else { PyErr_Clear(); } } #endif goto nofail; #if PY_VERSION_HEX < 0x02060000 fail: #endif PyErr_WriteUnraisable(obj); nofail: Py_DECREF(obj); view->obj = NULL; } #endif /* PY_MAJOR_VERSION < 3 */ static PyObject *__Pyx_Import(PyObject *name, PyObject *from_list, int level) { PyObject *empty_list = 0; PyObject *module = 0; PyObject *global_dict = 0; PyObject *empty_dict = 0; PyObject *list; #if PY_VERSION_HEX < 0x03030000 PyObject *py_import; py_import = __Pyx_PyObject_GetAttrStr(__pyx_b, __pyx_n_s____import__); if (!py_import) goto bad; #endif if (from_list) list = from_list; else { empty_list = PyList_New(0); if (!empty_list) goto bad; list = empty_list; } global_dict = PyModule_GetDict(__pyx_m); if (!global_dict) goto bad; empty_dict = PyDict_New(); if (!empty_dict) goto bad; #if PY_VERSION_HEX >= 0x02050000 { #if PY_MAJOR_VERSION >= 3 if (level == -1) { if (strchr(__Pyx_MODULE_NAME, '.')) { #if PY_VERSION_HEX < 0x03030000 PyObject *py_level = PyInt_FromLong(1); if (!py_level) goto bad; module = PyObject_CallFunctionObjArgs(py_import, name, global_dict, empty_dict, list, py_level, NULL); Py_DECREF(py_level); #else module = PyImport_ImportModuleLevelObject( name, global_dict, empty_dict, list, 1); #endif if (!module) { if (!PyErr_ExceptionMatches(PyExc_ImportError)) goto bad; PyErr_Clear(); } } level = 0; /* try absolute import on failure */ } #endif if (!module) { #if PY_VERSION_HEX < 0x03030000 PyObject *py_level = PyInt_FromLong(level); if (!py_level) goto bad; module = PyObject_CallFunctionObjArgs(py_import, name, global_dict, empty_dict, list, py_level, NULL); Py_DECREF(py_level); #else module = PyImport_ImportModuleLevelObject( name, global_dict, empty_dict, list, level); #endif } } #else if (level>0) { PyErr_SetString(PyExc_RuntimeError, "Relative import is not supported for Python <=2.4."); goto bad; } module = PyObject_CallFunctionObjArgs(py_import, name, global_dict, empty_dict, list, NULL); #endif bad: #if PY_VERSION_HEX < 0x03030000 Py_XDECREF(py_import); #endif Py_XDECREF(empty_list); Py_XDECREF(empty_dict); return module; } #if CYTHON_CCOMPLEX #ifdef __cplusplus static CYTHON_INLINE __pyx_t_float_complex __pyx_t_float_complex_from_parts(float x, float y) { return ::std::complex< float >(x, y); } #else static CYTHON_INLINE __pyx_t_float_complex __pyx_t_float_complex_from_parts(float x, float y) { return x + y*(__pyx_t_float_complex)_Complex_I; } #endif #else static CYTHON_INLINE __pyx_t_float_complex __pyx_t_float_complex_from_parts(float x, float y) { __pyx_t_float_complex z; z.real = x; z.imag = y; return z; } #endif #if CYTHON_CCOMPLEX #else static CYTHON_INLINE int __Pyx_c_eqf(__pyx_t_float_complex a, __pyx_t_float_complex b) { return (a.real == b.real) && (a.imag == b.imag); } static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_sumf(__pyx_t_float_complex a, __pyx_t_float_complex b) { __pyx_t_float_complex z; z.real = a.real + b.real; z.imag = a.imag + b.imag; return z; } static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_difff(__pyx_t_float_complex a, __pyx_t_float_complex b) { __pyx_t_float_complex z; z.real = a.real - b.real; z.imag = a.imag - b.imag; return z; } static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_prodf(__pyx_t_float_complex a, __pyx_t_float_complex b) { __pyx_t_float_complex z; z.real = a.real * b.real - a.imag * b.imag; z.imag = a.real * b.imag + a.imag * b.real; return z; } static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_quotf(__pyx_t_float_complex a, __pyx_t_float_complex b) { __pyx_t_float_complex z; float denom = b.real * b.real + b.imag * b.imag; z.real = (a.real * b.real + a.imag * b.imag) / denom; z.imag = (a.imag * b.real - a.real * b.imag) / denom; return z; } static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_negf(__pyx_t_float_complex a) { __pyx_t_float_complex z; z.real = -a.real; z.imag = -a.imag; return z; } static CYTHON_INLINE int __Pyx_c_is_zerof(__pyx_t_float_complex a) { return (a.real == 0) && (a.imag == 0); } static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_conjf(__pyx_t_float_complex a) { __pyx_t_float_complex z; z.real = a.real; z.imag = -a.imag; return z; } #if 1 static CYTHON_INLINE float __Pyx_c_absf(__pyx_t_float_complex z) { #if !defined(HAVE_HYPOT) || defined(_MSC_VER) return sqrtf(z.real*z.real + z.imag*z.imag); #else return hypotf(z.real, z.imag); #endif } static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_powf(__pyx_t_float_complex a, __pyx_t_float_complex b) { __pyx_t_float_complex z; float r, lnr, theta, z_r, z_theta; if (b.imag == 0 && b.real == (int)b.real) { if (b.real < 0) { float denom = a.real * a.real + a.imag * a.imag; a.real = a.real / denom; a.imag = -a.imag / denom; b.real = -b.real; } switch ((int)b.real) { case 0: z.real = 1; z.imag = 0; return z; case 1: return a; case 2: z = __Pyx_c_prodf(a, a); return __Pyx_c_prodf(a, a); case 3: z = __Pyx_c_prodf(a, a); return __Pyx_c_prodf(z, a); case 4: z = __Pyx_c_prodf(a, a); return __Pyx_c_prodf(z, z); } } if (a.imag == 0) { if (a.real == 0) { return a; } r = a.real; theta = 0; } else { r = __Pyx_c_absf(a); theta = atan2f(a.imag, a.real); } lnr = logf(r); z_r = expf(lnr * b.real - theta * b.imag); z_theta = theta * b.real + lnr * b.imag; z.real = z_r * cosf(z_theta); z.imag = z_r * sinf(z_theta); return z; } #endif #endif #if CYTHON_CCOMPLEX #ifdef __cplusplus static CYTHON_INLINE __pyx_t_double_complex __pyx_t_double_complex_from_parts(double x, double y) { return ::std::complex< double >(x, y); } #else static CYTHON_INLINE __pyx_t_double_complex __pyx_t_double_complex_from_parts(double x, double y) { return x + y*(__pyx_t_double_complex)_Complex_I; } #endif #else static CYTHON_INLINE __pyx_t_double_complex __pyx_t_double_complex_from_parts(double x, double y) { __pyx_t_double_complex z; z.real = x; z.imag = y; return z; } #endif #if CYTHON_CCOMPLEX #else static CYTHON_INLINE int __Pyx_c_eq(__pyx_t_double_complex a, __pyx_t_double_complex b) { return (a.real == b.real) && (a.imag == b.imag); } static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_sum(__pyx_t_double_complex a, __pyx_t_double_complex b) { __pyx_t_double_complex z; z.real = a.real + b.real; z.imag = a.imag + b.imag; return z; } static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_diff(__pyx_t_double_complex a, __pyx_t_double_complex b) { __pyx_t_double_complex z; z.real = a.real - b.real; z.imag = a.imag - b.imag; return z; } static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_prod(__pyx_t_double_complex a, __pyx_t_double_complex b) { __pyx_t_double_complex z; z.real = a.real * b.real - a.imag * b.imag; z.imag = a.real * b.imag + a.imag * b.real; return z; } static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_quot(__pyx_t_double_complex a, __pyx_t_double_complex b) { __pyx_t_double_complex z; double denom = b.real * b.real + b.imag * b.imag; z.real = (a.real * b.real + a.imag * b.imag) / denom; z.imag = (a.imag * b.real - a.real * b.imag) / denom; return z; } static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_neg(__pyx_t_double_complex a) { __pyx_t_double_complex z; z.real = -a.real; z.imag = -a.imag; return z; } static CYTHON_INLINE int __Pyx_c_is_zero(__pyx_t_double_complex a) { return (a.real == 0) && (a.imag == 0); } static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_conj(__pyx_t_double_complex a) { __pyx_t_double_complex z; z.real = a.real; z.imag = -a.imag; return z; } #if 1 static CYTHON_INLINE double __Pyx_c_abs(__pyx_t_double_complex z) { #if !defined(HAVE_HYPOT) || defined(_MSC_VER) return sqrt(z.real*z.real + z.imag*z.imag); #else return hypot(z.real, z.imag); #endif } static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_pow(__pyx_t_double_complex a, __pyx_t_double_complex b) { __pyx_t_double_complex z; double r, lnr, theta, z_r, z_theta; if (b.imag == 0 && b.real == (int)b.real) { if (b.real < 0) { double denom = a.real * a.real + a.imag * a.imag; a.real = a.real / denom; a.imag = -a.imag / denom; b.real = -b.real; } switch ((int)b.real) { case 0: z.real = 1; z.imag = 0; return z; case 1: return a; case 2: z = __Pyx_c_prod(a, a); return __Pyx_c_prod(a, a); case 3: z = __Pyx_c_prod(a, a); return __Pyx_c_prod(z, a); case 4: z = __Pyx_c_prod(a, a); return __Pyx_c_prod(z, z); } } if (a.imag == 0) { if (a.real == 0) { return a; } r = a.real; theta = 0; } else { r = __Pyx_c_abs(a); theta = atan2(a.imag, a.real); } lnr = log(r); z_r = exp(lnr * b.real - theta * b.imag); z_theta = theta * b.real + lnr * b.imag; z.real = z_r * cos(z_theta); z.imag = z_r * sin(z_theta); return z; } #endif #endif static int __pyx_memviewslice_is_contig(const __Pyx_memviewslice *mvs, char order, int ndim) { int i, index, step, start; Py_ssize_t itemsize = mvs->memview->view.itemsize; if (order == 'F') { step = 1; start = 0; } else { step = -1; start = ndim - 1; } for (i = 0; i < ndim; i++) { index = start + step * i; if (mvs->suboffsets[index] >= 0 || mvs->strides[index] != itemsize) return 0; itemsize *= mvs->shape[index]; } return 1; } static void __pyx_get_array_memory_extents(__Pyx_memviewslice *slice, void **out_start, void **out_end, int ndim, size_t itemsize) { char *start, *end; int i; start = end = slice->data; for (i = 0; i < ndim; i++) { Py_ssize_t stride = slice->strides[i]; Py_ssize_t extent = slice->shape[i]; if (extent == 0) { *out_start = *out_end = start; return; } else { if (stride > 0) end += stride * (extent - 1); else start += stride * (extent - 1); } } *out_start = start; *out_end = end + itemsize; } static int __pyx_slices_overlap(__Pyx_memviewslice *slice1, __Pyx_memviewslice *slice2, int ndim, size_t itemsize) { void *start1, *end1, *start2, *end2; __pyx_get_array_memory_extents(slice1, &start1, &end1, ndim, itemsize); __pyx_get_array_memory_extents(slice2, &start2, &end2, ndim, itemsize); return (start1 < end2) && (start2 < end1); } static __Pyx_memviewslice __pyx_memoryview_copy_new_contig(const __Pyx_memviewslice *from_mvs, const char *mode, int ndim, size_t sizeof_dtype, int contig_flag, int dtype_is_object) { __Pyx_RefNannyDeclarations int i; __Pyx_memviewslice new_mvs = { 0, 0, { 0 }, { 0 }, { 0 } }; struct __pyx_memoryview_obj *from_memview = from_mvs->memview; Py_buffer *buf = &from_memview->view; PyObject *shape_tuple = NULL; PyObject *temp_int = NULL; struct __pyx_array_obj *array_obj = NULL; struct __pyx_memoryview_obj *memview_obj = NULL; __Pyx_RefNannySetupContext("__pyx_memoryview_copy_new_contig", 0); for (i = 0; i < ndim; i++) { if (from_mvs->suboffsets[i] >= 0) { PyErr_Format(PyExc_ValueError, "Cannot copy memoryview slice with " "indirect dimensions (axis %d)", i); goto fail; } } shape_tuple = PyTuple_New(ndim); if (unlikely(!shape_tuple)) { goto fail; } __Pyx_GOTREF(shape_tuple); for(i = 0; i < ndim; i++) { temp_int = PyInt_FromLong(from_mvs->shape[i]); if(unlikely(!temp_int)) { goto fail; } else { PyTuple_SET_ITEM(shape_tuple, i, temp_int); temp_int = NULL; } } array_obj = __pyx_array_new(shape_tuple, sizeof_dtype, buf->format, (char *) mode, NULL); if (unlikely(!array_obj)) { goto fail; } __Pyx_GOTREF(array_obj); memview_obj = (struct __pyx_memoryview_obj *) __pyx_memoryview_new( (PyObject *) array_obj, contig_flag, dtype_is_object, from_mvs->memview->typeinfo); if (unlikely(!memview_obj)) goto fail; if (unlikely(__Pyx_init_memviewslice(memview_obj, ndim, &new_mvs, 1) < 0)) goto fail; if (unlikely(__pyx_memoryview_copy_contents(*from_mvs, new_mvs, ndim, ndim, dtype_is_object) < 0)) goto fail; goto no_fail; fail: __Pyx_XDECREF(new_mvs.memview); new_mvs.memview = NULL; new_mvs.data = NULL; no_fail: __Pyx_XDECREF(shape_tuple); __Pyx_XDECREF(temp_int); __Pyx_XDECREF(array_obj); __Pyx_RefNannyFinishContext(); return new_mvs; } static CYTHON_INLINE PyObject * __pyx_capsule_create(void *p, CYTHON_UNUSED const char *sig) { PyObject *cobj; #if PY_VERSION_HEX >= 0x02070000 && !(PY_MAJOR_VERSION == 3 && PY_MINOR_VERSION == 0) cobj = PyCapsule_New(p, sig, NULL); #else cobj = PyCObject_FromVoidPtr(p, NULL); #endif return cobj; } static CYTHON_INLINE void __Pyx_ExceptionSave(PyObject **type, PyObject **value, PyObject **tb) { #if CYTHON_COMPILING_IN_CPYTHON PyThreadState *tstate = PyThreadState_GET(); *type = tstate->exc_type; *value = tstate->exc_value; *tb = tstate->exc_traceback; Py_XINCREF(*type); Py_XINCREF(*value); Py_XINCREF(*tb); #else PyErr_GetExcInfo(type, value, tb); #endif } static void __Pyx_ExceptionReset(PyObject *type, PyObject *value, PyObject *tb) { #if CYTHON_COMPILING_IN_CPYTHON PyObject *tmp_type, *tmp_value, *tmp_tb; PyThreadState *tstate = PyThreadState_GET(); tmp_type = tstate->exc_type; tmp_value = tstate->exc_value; tmp_tb = tstate->exc_traceback; tstate->exc_type = type; tstate->exc_value = value; tstate->exc_traceback = tb; Py_XDECREF(tmp_type); Py_XDECREF(tmp_value); Py_XDECREF(tmp_tb); #else PyErr_SetExcInfo(type, value, tb); #endif } static CYTHON_INLINE unsigned char __Pyx_PyInt_AsUnsignedChar(PyObject* x) { const unsigned char neg_one = (unsigned char)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; if (sizeof(unsigned char) < sizeof(long)) { long val = __Pyx_PyInt_AsLong(x); if (unlikely(val != (long)(unsigned char)val)) { if (!unlikely(val == -1 && PyErr_Occurred())) { PyErr_SetString(PyExc_OverflowError, (is_unsigned && unlikely(val < 0)) ? "can't convert negative value to unsigned char" : "value too large to convert to unsigned char"); } return (unsigned char)-1; } return (unsigned char)val; } return (unsigned char)__Pyx_PyInt_AsUnsignedLong(x); } static CYTHON_INLINE unsigned short __Pyx_PyInt_AsUnsignedShort(PyObject* x) { const unsigned short neg_one = (unsigned short)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; if (sizeof(unsigned short) < sizeof(long)) { long val = __Pyx_PyInt_AsLong(x); if (unlikely(val != (long)(unsigned short)val)) { if (!unlikely(val == -1 && PyErr_Occurred())) { PyErr_SetString(PyExc_OverflowError, (is_unsigned && unlikely(val < 0)) ? "can't convert negative value to unsigned short" : "value too large to convert to unsigned short"); } return (unsigned short)-1; } return (unsigned short)val; } return (unsigned short)__Pyx_PyInt_AsUnsignedLong(x); } static CYTHON_INLINE unsigned int __Pyx_PyInt_AsUnsignedInt(PyObject* x) { const unsigned int neg_one = (unsigned int)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; if (sizeof(unsigned int) < sizeof(long)) { long val = __Pyx_PyInt_AsLong(x); if (unlikely(val != (long)(unsigned int)val)) { if (!unlikely(val == -1 && PyErr_Occurred())) { PyErr_SetString(PyExc_OverflowError, (is_unsigned && unlikely(val < 0)) ? "can't convert negative value to unsigned int" : "value too large to convert to unsigned int"); } return (unsigned int)-1; } return (unsigned int)val; } return (unsigned int)__Pyx_PyInt_AsUnsignedLong(x); } static CYTHON_INLINE char __Pyx_PyInt_AsChar(PyObject* x) { const char neg_one = (char)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; if (sizeof(char) < sizeof(long)) { long val = __Pyx_PyInt_AsLong(x); if (unlikely(val != (long)(char)val)) { if (!unlikely(val == -1 && PyErr_Occurred())) { PyErr_SetString(PyExc_OverflowError, (is_unsigned && unlikely(val < 0)) ? "can't convert negative value to char" : "value too large to convert to char"); } return (char)-1; } return (char)val; } return (char)__Pyx_PyInt_AsLong(x); } static CYTHON_INLINE short __Pyx_PyInt_AsShort(PyObject* x) { const short neg_one = (short)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; if (sizeof(short) < sizeof(long)) { long val = __Pyx_PyInt_AsLong(x); if (unlikely(val != (long)(short)val)) { if (!unlikely(val == -1 && PyErr_Occurred())) { PyErr_SetString(PyExc_OverflowError, (is_unsigned && unlikely(val < 0)) ? "can't convert negative value to short" : "value too large to convert to short"); } return (short)-1; } return (short)val; } return (short)__Pyx_PyInt_AsLong(x); } static CYTHON_INLINE int __Pyx_PyInt_AsInt(PyObject* x) { const int neg_one = (int)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; if (sizeof(int) < sizeof(long)) { long val = __Pyx_PyInt_AsLong(x); if (unlikely(val != (long)(int)val)) { if (!unlikely(val == -1 && PyErr_Occurred())) { PyErr_SetString(PyExc_OverflowError, (is_unsigned && unlikely(val < 0)) ? "can't convert negative value to int" : "value too large to convert to int"); } return (int)-1; } return (int)val; } return (int)__Pyx_PyInt_AsLong(x); } static CYTHON_INLINE signed char __Pyx_PyInt_AsSignedChar(PyObject* x) { const signed char neg_one = (signed char)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; if (sizeof(signed char) < sizeof(long)) { long val = __Pyx_PyInt_AsLong(x); if (unlikely(val != (long)(signed char)val)) { if (!unlikely(val == -1 && PyErr_Occurred())) { PyErr_SetString(PyExc_OverflowError, (is_unsigned && unlikely(val < 0)) ? "can't convert negative value to signed char" : "value too large to convert to signed char"); } return (signed char)-1; } return (signed char)val; } return (signed char)__Pyx_PyInt_AsSignedLong(x); } static CYTHON_INLINE signed short __Pyx_PyInt_AsSignedShort(PyObject* x) { const signed short neg_one = (signed short)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; if (sizeof(signed short) < sizeof(long)) { long val = __Pyx_PyInt_AsLong(x); if (unlikely(val != (long)(signed short)val)) { if (!unlikely(val == -1 && PyErr_Occurred())) { PyErr_SetString(PyExc_OverflowError, (is_unsigned && unlikely(val < 0)) ? "can't convert negative value to signed short" : "value too large to convert to signed short"); } return (signed short)-1; } return (signed short)val; } return (signed short)__Pyx_PyInt_AsSignedLong(x); } static CYTHON_INLINE signed int __Pyx_PyInt_AsSignedInt(PyObject* x) { const signed int neg_one = (signed int)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; if (sizeof(signed int) < sizeof(long)) { long val = __Pyx_PyInt_AsLong(x); if (unlikely(val != (long)(signed int)val)) { if (!unlikely(val == -1 && PyErr_Occurred())) { PyErr_SetString(PyExc_OverflowError, (is_unsigned && unlikely(val < 0)) ? "can't convert negative value to signed int" : "value too large to convert to signed int"); } return (signed int)-1; } return (signed int)val; } return (signed int)__Pyx_PyInt_AsSignedLong(x); } static CYTHON_INLINE int __Pyx_PyInt_AsLongDouble(PyObject* x) { const int neg_one = (int)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; if (sizeof(int) < sizeof(long)) { long val = __Pyx_PyInt_AsLong(x); if (unlikely(val != (long)(int)val)) { if (!unlikely(val == -1 && PyErr_Occurred())) { PyErr_SetString(PyExc_OverflowError, (is_unsigned && unlikely(val < 0)) ? "can't convert negative value to int" : "value too large to convert to int"); } return (int)-1; } return (int)val; } return (int)__Pyx_PyInt_AsLong(x); } #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS #include "longintrepr.h" #endif #endif static CYTHON_INLINE unsigned long __Pyx_PyInt_AsUnsignedLong(PyObject* x) { const unsigned long neg_one = (unsigned long)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; #if PY_MAJOR_VERSION < 3 if (likely(PyInt_Check(x))) { long val = PyInt_AS_LONG(x); if (is_unsigned && unlikely(val < 0)) { PyErr_SetString(PyExc_OverflowError, "can't convert negative value to unsigned long"); return (unsigned long)-1; } return (unsigned long)val; } else #endif if (likely(PyLong_Check(x))) { if (is_unsigned) { #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS if (sizeof(digit) <= sizeof(unsigned long)) { switch (Py_SIZE(x)) { case 0: return 0; case 1: return (unsigned long) ((PyLongObject*)x)->ob_digit[0]; } } #endif #endif if (unlikely(Py_SIZE(x) < 0)) { PyErr_SetString(PyExc_OverflowError, "can't convert negative value to unsigned long"); return (unsigned long)-1; } return (unsigned long)PyLong_AsUnsignedLong(x); } else { #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS if (sizeof(digit) <= sizeof(unsigned long)) { switch (Py_SIZE(x)) { case 0: return 0; case 1: return +(unsigned long) ((PyLongObject*)x)->ob_digit[0]; case -1: return -(unsigned long) ((PyLongObject*)x)->ob_digit[0]; } } #endif #endif return (unsigned long)PyLong_AsLong(x); } } else { unsigned long val; PyObject *tmp = __Pyx_PyNumber_Int(x); if (!tmp) return (unsigned long)-1; val = __Pyx_PyInt_AsUnsignedLong(tmp); Py_DECREF(tmp); return val; } } #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS #include "longintrepr.h" #endif #endif static CYTHON_INLINE unsigned PY_LONG_LONG __Pyx_PyInt_AsUnsignedLongLong(PyObject* x) { const unsigned PY_LONG_LONG neg_one = (unsigned PY_LONG_LONG)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; #if PY_MAJOR_VERSION < 3 if (likely(PyInt_Check(x))) { long val = PyInt_AS_LONG(x); if (is_unsigned && unlikely(val < 0)) { PyErr_SetString(PyExc_OverflowError, "can't convert negative value to unsigned PY_LONG_LONG"); return (unsigned PY_LONG_LONG)-1; } return (unsigned PY_LONG_LONG)val; } else #endif if (likely(PyLong_Check(x))) { if (is_unsigned) { #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS if (sizeof(digit) <= sizeof(unsigned PY_LONG_LONG)) { switch (Py_SIZE(x)) { case 0: return 0; case 1: return (unsigned PY_LONG_LONG) ((PyLongObject*)x)->ob_digit[0]; } } #endif #endif if (unlikely(Py_SIZE(x) < 0)) { PyErr_SetString(PyExc_OverflowError, "can't convert negative value to unsigned PY_LONG_LONG"); return (unsigned PY_LONG_LONG)-1; } return (unsigned PY_LONG_LONG)PyLong_AsUnsignedLongLong(x); } else { #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS if (sizeof(digit) <= sizeof(unsigned PY_LONG_LONG)) { switch (Py_SIZE(x)) { case 0: return 0; case 1: return +(unsigned PY_LONG_LONG) ((PyLongObject*)x)->ob_digit[0]; case -1: return -(unsigned PY_LONG_LONG) ((PyLongObject*)x)->ob_digit[0]; } } #endif #endif return (unsigned PY_LONG_LONG)PyLong_AsLongLong(x); } } else { unsigned PY_LONG_LONG val; PyObject *tmp = __Pyx_PyNumber_Int(x); if (!tmp) return (unsigned PY_LONG_LONG)-1; val = __Pyx_PyInt_AsUnsignedLongLong(tmp); Py_DECREF(tmp); return val; } } #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS #include "longintrepr.h" #endif #endif static CYTHON_INLINE long __Pyx_PyInt_AsLong(PyObject* x) { const long neg_one = (long)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; #if PY_MAJOR_VERSION < 3 if (likely(PyInt_Check(x))) { long val = PyInt_AS_LONG(x); if (is_unsigned && unlikely(val < 0)) { PyErr_SetString(PyExc_OverflowError, "can't convert negative value to long"); return (long)-1; } return (long)val; } else #endif if (likely(PyLong_Check(x))) { if (is_unsigned) { #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS if (sizeof(digit) <= sizeof(long)) { switch (Py_SIZE(x)) { case 0: return 0; case 1: return (long) ((PyLongObject*)x)->ob_digit[0]; } } #endif #endif if (unlikely(Py_SIZE(x) < 0)) { PyErr_SetString(PyExc_OverflowError, "can't convert negative value to long"); return (long)-1; } return (long)PyLong_AsUnsignedLong(x); } else { #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS if (sizeof(digit) <= sizeof(long)) { switch (Py_SIZE(x)) { case 0: return 0; case 1: return +(long) ((PyLongObject*)x)->ob_digit[0]; case -1: return -(long) ((PyLongObject*)x)->ob_digit[0]; } } #endif #endif return (long)PyLong_AsLong(x); } } else { long val; PyObject *tmp = __Pyx_PyNumber_Int(x); if (!tmp) return (long)-1; val = __Pyx_PyInt_AsLong(tmp); Py_DECREF(tmp); return val; } } #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS #include "longintrepr.h" #endif #endif static CYTHON_INLINE PY_LONG_LONG __Pyx_PyInt_AsLongLong(PyObject* x) { const PY_LONG_LONG neg_one = (PY_LONG_LONG)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; #if PY_MAJOR_VERSION < 3 if (likely(PyInt_Check(x))) { long val = PyInt_AS_LONG(x); if (is_unsigned && unlikely(val < 0)) { PyErr_SetString(PyExc_OverflowError, "can't convert negative value to PY_LONG_LONG"); return (PY_LONG_LONG)-1; } return (PY_LONG_LONG)val; } else #endif if (likely(PyLong_Check(x))) { if (is_unsigned) { #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS if (sizeof(digit) <= sizeof(PY_LONG_LONG)) { switch (Py_SIZE(x)) { case 0: return 0; case 1: return (PY_LONG_LONG) ((PyLongObject*)x)->ob_digit[0]; } } #endif #endif if (unlikely(Py_SIZE(x) < 0)) { PyErr_SetString(PyExc_OverflowError, "can't convert negative value to PY_LONG_LONG"); return (PY_LONG_LONG)-1; } return (PY_LONG_LONG)PyLong_AsUnsignedLongLong(x); } else { #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS if (sizeof(digit) <= sizeof(PY_LONG_LONG)) { switch (Py_SIZE(x)) { case 0: return 0; case 1: return +(PY_LONG_LONG) ((PyLongObject*)x)->ob_digit[0]; case -1: return -(PY_LONG_LONG) ((PyLongObject*)x)->ob_digit[0]; } } #endif #endif return (PY_LONG_LONG)PyLong_AsLongLong(x); } } else { PY_LONG_LONG val; PyObject *tmp = __Pyx_PyNumber_Int(x); if (!tmp) return (PY_LONG_LONG)-1; val = __Pyx_PyInt_AsLongLong(tmp); Py_DECREF(tmp); return val; } } #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS #include "longintrepr.h" #endif #endif static CYTHON_INLINE signed long __Pyx_PyInt_AsSignedLong(PyObject* x) { const signed long neg_one = (signed long)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; #if PY_MAJOR_VERSION < 3 if (likely(PyInt_Check(x))) { long val = PyInt_AS_LONG(x); if (is_unsigned && unlikely(val < 0)) { PyErr_SetString(PyExc_OverflowError, "can't convert negative value to signed long"); return (signed long)-1; } return (signed long)val; } else #endif if (likely(PyLong_Check(x))) { if (is_unsigned) { #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS if (sizeof(digit) <= sizeof(signed long)) { switch (Py_SIZE(x)) { case 0: return 0; case 1: return (signed long) ((PyLongObject*)x)->ob_digit[0]; } } #endif #endif if (unlikely(Py_SIZE(x) < 0)) { PyErr_SetString(PyExc_OverflowError, "can't convert negative value to signed long"); return (signed long)-1; } return (signed long)PyLong_AsUnsignedLong(x); } else { #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS if (sizeof(digit) <= sizeof(signed long)) { switch (Py_SIZE(x)) { case 0: return 0; case 1: return +(signed long) ((PyLongObject*)x)->ob_digit[0]; case -1: return -(signed long) ((PyLongObject*)x)->ob_digit[0]; } } #endif #endif return (signed long)PyLong_AsLong(x); } } else { signed long val; PyObject *tmp = __Pyx_PyNumber_Int(x); if (!tmp) return (signed long)-1; val = __Pyx_PyInt_AsSignedLong(tmp); Py_DECREF(tmp); return val; } } #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS #include "longintrepr.h" #endif #endif static CYTHON_INLINE signed PY_LONG_LONG __Pyx_PyInt_AsSignedLongLong(PyObject* x) { const signed PY_LONG_LONG neg_one = (signed PY_LONG_LONG)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; #if PY_MAJOR_VERSION < 3 if (likely(PyInt_Check(x))) { long val = PyInt_AS_LONG(x); if (is_unsigned && unlikely(val < 0)) { PyErr_SetString(PyExc_OverflowError, "can't convert negative value to signed PY_LONG_LONG"); return (signed PY_LONG_LONG)-1; } return (signed PY_LONG_LONG)val; } else #endif if (likely(PyLong_Check(x))) { if (is_unsigned) { #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS if (sizeof(digit) <= sizeof(signed PY_LONG_LONG)) { switch (Py_SIZE(x)) { case 0: return 0; case 1: return (signed PY_LONG_LONG) ((PyLongObject*)x)->ob_digit[0]; } } #endif #endif if (unlikely(Py_SIZE(x) < 0)) { PyErr_SetString(PyExc_OverflowError, "can't convert negative value to signed PY_LONG_LONG"); return (signed PY_LONG_LONG)-1; } return (signed PY_LONG_LONG)PyLong_AsUnsignedLongLong(x); } else { #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS if (sizeof(digit) <= sizeof(signed PY_LONG_LONG)) { switch (Py_SIZE(x)) { case 0: return 0; case 1: return +(signed PY_LONG_LONG) ((PyLongObject*)x)->ob_digit[0]; case -1: return -(signed PY_LONG_LONG) ((PyLongObject*)x)->ob_digit[0]; } } #endif #endif return (signed PY_LONG_LONG)PyLong_AsLongLong(x); } } else { signed PY_LONG_LONG val; PyObject *tmp = __Pyx_PyNumber_Int(x); if (!tmp) return (signed PY_LONG_LONG)-1; val = __Pyx_PyInt_AsSignedLongLong(tmp); Py_DECREF(tmp); return val; } } static int __pyx_typeinfo_cmp(__Pyx_TypeInfo *a, __Pyx_TypeInfo *b) { int i; if (!a || !b) return 0; if (a == b) return 1; if (a->size != b->size || a->typegroup != b->typegroup || a->is_unsigned != b->is_unsigned || a->ndim != b->ndim) { if (a->typegroup == 'H' || b->typegroup == 'H') { return a->size == b->size; } else { return 0; } } if (a->ndim) { for (i = 0; i < a->ndim; i++) if (a->arraysize[i] != b->arraysize[i]) return 0; } if (a->typegroup == 'S') { if (a->flags != b->flags) return 0; if (a->fields || b->fields) { if (!(a->fields && b->fields)) return 0; for (i = 0; a->fields[i].type && b->fields[i].type; i++) { __Pyx_StructField *field_a = a->fields + i; __Pyx_StructField *field_b = b->fields + i; if (field_a->offset != field_b->offset || !__pyx_typeinfo_cmp(field_a->type, field_b->type)) return 0; } return !a->fields[i].type && !b->fields[i].type; } } return 1; } static int __pyx_check_strides(Py_buffer *buf, int dim, int ndim, int spec) { if (buf->shape[dim] <= 1) return 1; if (buf->strides) { if (spec & __Pyx_MEMVIEW_CONTIG) { if (spec & (__Pyx_MEMVIEW_PTR|__Pyx_MEMVIEW_FULL)) { if (buf->strides[dim] != sizeof(void *)) { PyErr_Format(PyExc_ValueError, "Buffer is not indirectly contiguous " "in dimension %d.", dim); goto fail; } } else if (buf->strides[dim] != buf->itemsize) { PyErr_SetString(PyExc_ValueError, "Buffer and memoryview are not contiguous " "in the same dimension."); goto fail; } } if (spec & __Pyx_MEMVIEW_FOLLOW) { Py_ssize_t stride = buf->strides[dim]; if (stride < 0) stride = -stride; if (stride < buf->itemsize) { PyErr_SetString(PyExc_ValueError, "Buffer and memoryview are not contiguous " "in the same dimension."); goto fail; } } } else { if (spec & __Pyx_MEMVIEW_CONTIG && dim != ndim - 1) { PyErr_Format(PyExc_ValueError, "C-contiguous buffer is not contiguous in " "dimension %d", dim); goto fail; } else if (spec & (__Pyx_MEMVIEW_PTR)) { PyErr_Format(PyExc_ValueError, "C-contiguous buffer is not indirect in " "dimension %d", dim); goto fail; } else if (buf->suboffsets) { PyErr_SetString(PyExc_ValueError, "Buffer exposes suboffsets but no strides"); goto fail; } } return 1; fail: return 0; } static int __pyx_check_suboffsets(Py_buffer *buf, int dim, CYTHON_UNUSED int ndim, int spec) { if (spec & __Pyx_MEMVIEW_DIRECT) { if (buf->suboffsets && buf->suboffsets[dim] >= 0) { PyErr_Format(PyExc_ValueError, "Buffer not compatible with direct access " "in dimension %d.", dim); goto fail; } } if (spec & __Pyx_MEMVIEW_PTR) { if (!buf->suboffsets || (buf->suboffsets && buf->suboffsets[dim] < 0)) { PyErr_Format(PyExc_ValueError, "Buffer is not indirectly accessisble " "in dimension %d.", dim); goto fail; } } return 1; fail: return 0; } static int __pyx_verify_contig(Py_buffer *buf, int ndim, int c_or_f_flag) { int i; if (c_or_f_flag & __Pyx_IS_F_CONTIG) { Py_ssize_t stride = 1; for (i = 0; i < ndim; i++) { if (stride * buf->itemsize != buf->strides[i] && buf->shape[i] > 1) { PyErr_SetString(PyExc_ValueError, "Buffer not fortran contiguous."); goto fail; } stride = stride * buf->shape[i]; } } else if (c_or_f_flag & __Pyx_IS_C_CONTIG) { Py_ssize_t stride = 1; for (i = ndim - 1; i >- 1; i--) { if (stride * buf->itemsize != buf->strides[i] && buf->shape[i] > 1) { PyErr_SetString(PyExc_ValueError, "Buffer not C contiguous."); goto fail; } stride = stride * buf->shape[i]; } } return 1; fail: return 0; } static int __Pyx_ValidateAndInit_memviewslice( int *axes_specs, int c_or_f_flag, int buf_flags, int ndim, __Pyx_TypeInfo *dtype, __Pyx_BufFmt_StackElem stack[], __Pyx_memviewslice *memviewslice, PyObject *original_obj) { struct __pyx_memoryview_obj *memview, *new_memview; __Pyx_RefNannyDeclarations Py_buffer *buf; int i, spec = 0, retval = -1; __Pyx_BufFmt_Context ctx; int from_memoryview = __pyx_memoryview_check(original_obj); __Pyx_RefNannySetupContext("ValidateAndInit_memviewslice", 0); if (from_memoryview && __pyx_typeinfo_cmp(dtype, ((struct __pyx_memoryview_obj *) original_obj)->typeinfo)) { memview = (struct __pyx_memoryview_obj *) original_obj; new_memview = NULL; } else { memview = (struct __pyx_memoryview_obj *) __pyx_memoryview_new( original_obj, buf_flags, 0, dtype); new_memview = memview; if (unlikely(!memview)) goto fail; } buf = &memview->view; if (buf->ndim != ndim) { PyErr_Format(PyExc_ValueError, "Buffer has wrong number of dimensions (expected %d, got %d)", ndim, buf->ndim); goto fail; } if (new_memview) { __Pyx_BufFmt_Init(&ctx, stack, dtype); if (!__Pyx_BufFmt_CheckString(&ctx, buf->format)) goto fail; } if ((unsigned) buf->itemsize != dtype->size) { PyErr_Format(PyExc_ValueError, "Item size of buffer (%" CYTHON_FORMAT_SSIZE_T "u byte%s) " "does not match size of '%s' (%" CYTHON_FORMAT_SSIZE_T "u byte%s)", buf->itemsize, (buf->itemsize > 1) ? "s" : "", dtype->name, dtype->size, (dtype->size > 1) ? "s" : ""); goto fail; } for (i = 0; i < ndim; i++) { spec = axes_specs[i]; if (!__pyx_check_strides(buf, i, ndim, spec)) goto fail; if (!__pyx_check_suboffsets(buf, i, ndim, spec)) goto fail; } if (buf->strides && !__pyx_verify_contig(buf, ndim, c_or_f_flag)) goto fail; if (unlikely(__Pyx_init_memviewslice(memview, ndim, memviewslice, new_memview != NULL) == -1)) { goto fail; } retval = 0; goto no_fail; fail: Py_XDECREF(new_memview); retval = -1; no_fail: __Pyx_RefNannyFinishContext(); return retval; } static CYTHON_INLINE __Pyx_memviewslice __Pyx_PyObject_to_MemoryviewSlice_ds_nn_coordT(PyObject *obj) { __Pyx_memviewslice result = { 0, 0, { 0 }, { 0 }, { 0 } }; __Pyx_BufFmt_StackElem stack[1]; int axes_specs[] = { (__Pyx_MEMVIEW_DIRECT | __Pyx_MEMVIEW_STRIDED) }; int retcode; if (obj == Py_None) { result.memview = (struct __pyx_memoryview_obj *) Py_None; return result; } retcode = __Pyx_ValidateAndInit_memviewslice(axes_specs, 0, PyBUF_RECORDS, 1, &__Pyx_TypeInfo_nn_coordT, stack, &result, obj); if (unlikely(retcode == -1)) goto __pyx_fail; return result; __pyx_fail: result.memview = NULL; result.data = NULL; return result; } static CYTHON_INLINE __Pyx_memviewslice __Pyx_PyObject_to_MemoryviewSlice_ds_unsigned_int(PyObject *obj) { __Pyx_memviewslice result = { 0, 0, { 0 }, { 0 }, { 0 } }; __Pyx_BufFmt_StackElem stack[1]; int axes_specs[] = { (__Pyx_MEMVIEW_DIRECT | __Pyx_MEMVIEW_STRIDED) }; int retcode; if (obj == Py_None) { result.memview = (struct __pyx_memoryview_obj *) Py_None; return result; } retcode = __Pyx_ValidateAndInit_memviewslice(axes_specs, 0, PyBUF_RECORDS, 1, &__Pyx_TypeInfo_unsigned_int, stack, &result, obj); if (unlikely(retcode == -1)) goto __pyx_fail; return result; __pyx_fail: result.memview = NULL; result.data = NULL; return result; } static int __Pyx_check_binary_version(void) { char ctversion[4], rtversion[4]; PyOS_snprintf(ctversion, 4, "%d.%d", PY_MAJOR_VERSION, PY_MINOR_VERSION); PyOS_snprintf(rtversion, 4, "%s", Py_GetVersion()); if (ctversion[0] != rtversion[0] || ctversion[2] != rtversion[2]) { char message[200]; PyOS_snprintf(message, sizeof(message), "compiletime version %s of module '%.100s' " "does not match runtime version %s", ctversion, __Pyx_MODULE_NAME, rtversion); #if PY_VERSION_HEX < 0x02050000 return PyErr_Warn(NULL, message); #else return PyErr_WarnEx(NULL, message, 1); #endif } return 0; } #ifndef __PYX_HAVE_RT_ImportModule #define __PYX_HAVE_RT_ImportModule static PyObject *__Pyx_ImportModule(const char *name) { PyObject *py_name = 0; PyObject *py_module = 0; py_name = __Pyx_PyIdentifier_FromString(name); if (!py_name) goto bad; py_module = PyImport_Import(py_name); Py_DECREF(py_name); return py_module; bad: Py_XDECREF(py_name); return 0; } #endif #ifndef __PYX_HAVE_RT_ImportType #define __PYX_HAVE_RT_ImportType static PyTypeObject *__Pyx_ImportType(const char *module_name, const char *class_name, size_t size, int strict) { PyObject *py_module = 0; PyObject *result = 0; PyObject *py_name = 0; char warning[200]; Py_ssize_t basicsize; #ifdef Py_LIMITED_API PyObject *py_basicsize; #endif py_module = __Pyx_ImportModule(module_name); if (!py_module) goto bad; py_name = __Pyx_PyIdentifier_FromString(class_name); if (!py_name) goto bad; result = PyObject_GetAttr(py_module, py_name); Py_DECREF(py_name); py_name = 0; Py_DECREF(py_module); py_module = 0; if (!result) goto bad; if (!PyType_Check(result)) { PyErr_Format(PyExc_TypeError, "%s.%s is not a type object", module_name, class_name); goto bad; } #ifndef Py_LIMITED_API basicsize = ((PyTypeObject *)result)->tp_basicsize; #else py_basicsize = PyObject_GetAttrString(result, "__basicsize__"); if (!py_basicsize) goto bad; basicsize = PyLong_AsSsize_t(py_basicsize); Py_DECREF(py_basicsize); py_basicsize = 0; if (basicsize == (Py_ssize_t)-1 && PyErr_Occurred()) goto bad; #endif if (!strict && (size_t)basicsize > size) { PyOS_snprintf(warning, sizeof(warning), "%s.%s size changed, may indicate binary incompatibility", module_name, class_name); #if PY_VERSION_HEX < 0x02050000 if (PyErr_Warn(NULL, warning) < 0) goto bad; #else if (PyErr_WarnEx(NULL, warning, 0) < 0) goto bad; #endif } else if ((size_t)basicsize != size) { PyErr_Format(PyExc_ValueError, "%s.%s has the wrong size, try recompiling", module_name, class_name); goto bad; } return (PyTypeObject *)result; bad: Py_XDECREF(py_module); Py_XDECREF(result); return NULL; } #endif static int __pyx_bisect_code_objects(__Pyx_CodeObjectCacheEntry* entries, int count, int code_line) { int start = 0, mid = 0, end = count - 1; if (end >= 0 && code_line > entries[end].code_line) { return count; } while (start < end) { mid = (start + end) / 2; if (code_line < entries[mid].code_line) { end = mid; } else if (code_line > entries[mid].code_line) { start = mid + 1; } else { return mid; } } if (code_line <= entries[mid].code_line) { return mid; } else { return mid + 1; } } static PyCodeObject *__pyx_find_code_object(int code_line) { PyCodeObject* code_object; int pos; if (unlikely(!code_line) || unlikely(!__pyx_code_cache.entries)) { return NULL; } pos = __pyx_bisect_code_objects(__pyx_code_cache.entries, __pyx_code_cache.count, code_line); if (unlikely(pos >= __pyx_code_cache.count) || unlikely(__pyx_code_cache.entries[pos].code_line != code_line)) { return NULL; } code_object = __pyx_code_cache.entries[pos].code_object; Py_INCREF(code_object); return code_object; } static void __pyx_insert_code_object(int code_line, PyCodeObject* code_object) { int pos, i; __Pyx_CodeObjectCacheEntry* entries = __pyx_code_cache.entries; if (unlikely(!code_line)) { return; } if (unlikely(!entries)) { entries = (__Pyx_CodeObjectCacheEntry*)PyMem_Malloc(64*sizeof(__Pyx_CodeObjectCacheEntry)); if (likely(entries)) { __pyx_code_cache.entries = entries; __pyx_code_cache.max_count = 64; __pyx_code_cache.count = 1; entries[0].code_line = code_line; entries[0].code_object = code_object; Py_INCREF(code_object); } return; } pos = __pyx_bisect_code_objects(__pyx_code_cache.entries, __pyx_code_cache.count, code_line); if ((pos < __pyx_code_cache.count) && unlikely(__pyx_code_cache.entries[pos].code_line == code_line)) { PyCodeObject* tmp = entries[pos].code_object; entries[pos].code_object = code_object; Py_DECREF(tmp); return; } if (__pyx_code_cache.count == __pyx_code_cache.max_count) { int new_max = __pyx_code_cache.max_count + 64; entries = (__Pyx_CodeObjectCacheEntry*)PyMem_Realloc( __pyx_code_cache.entries, new_max*sizeof(__Pyx_CodeObjectCacheEntry)); if (unlikely(!entries)) { return; } __pyx_code_cache.entries = entries; __pyx_code_cache.max_count = new_max; } for (i=__pyx_code_cache.count; i>pos; i--) { entries[i] = entries[i-1]; } entries[pos].code_line = code_line; entries[pos].code_object = code_object; __pyx_code_cache.count++; Py_INCREF(code_object); } #include "compile.h" #include "frameobject.h" #include "traceback.h" static PyCodeObject* __Pyx_CreateCodeObjectForTraceback( const char *funcname, int c_line, int py_line, const char *filename) { PyCodeObject *py_code = 0; PyObject *py_srcfile = 0; PyObject *py_funcname = 0; #if PY_MAJOR_VERSION < 3 py_srcfile = PyString_FromString(filename); #else py_srcfile = PyUnicode_FromString(filename); #endif if (!py_srcfile) goto bad; if (c_line) { #if PY_MAJOR_VERSION < 3 py_funcname = PyString_FromFormat( "%s (%s:%d)", funcname, __pyx_cfilenm, c_line); #else py_funcname = PyUnicode_FromFormat( "%s (%s:%d)", funcname, __pyx_cfilenm, c_line); #endif } else { #if PY_MAJOR_VERSION < 3 py_funcname = PyString_FromString(funcname); #else py_funcname = PyUnicode_FromString(funcname); #endif } if (!py_funcname) goto bad; py_code = __Pyx_PyCode_New( 0, /*int argcount,*/ 0, /*int kwonlyargcount,*/ 0, /*int nlocals,*/ 0, /*int stacksize,*/ 0, /*int flags,*/ __pyx_empty_bytes, /*PyObject *code,*/ __pyx_empty_tuple, /*PyObject *consts,*/ __pyx_empty_tuple, /*PyObject *names,*/ __pyx_empty_tuple, /*PyObject *varnames,*/ __pyx_empty_tuple, /*PyObject *freevars,*/ __pyx_empty_tuple, /*PyObject *cellvars,*/ py_srcfile, /*PyObject *filename,*/ py_funcname, /*PyObject *name,*/ py_line, /*int firstlineno,*/ __pyx_empty_bytes /*PyObject *lnotab*/ ); Py_DECREF(py_srcfile); Py_DECREF(py_funcname); return py_code; bad: Py_XDECREF(py_srcfile); Py_XDECREF(py_funcname); return NULL; } static void __Pyx_AddTraceback(const char *funcname, int c_line, int py_line, const char *filename) { PyCodeObject *py_code = 0; PyObject *py_globals = 0; PyFrameObject *py_frame = 0; py_code = __pyx_find_code_object(c_line ? c_line : py_line); if (!py_code) { py_code = __Pyx_CreateCodeObjectForTraceback( funcname, c_line, py_line, filename); if (!py_code) goto bad; __pyx_insert_code_object(c_line ? c_line : py_line, py_code); } py_globals = PyModule_GetDict(__pyx_m); if (!py_globals) goto bad; py_frame = PyFrame_New( PyThreadState_GET(), /*PyThreadState *tstate,*/ py_code, /*PyCodeObject *code,*/ py_globals, /*PyObject *globals,*/ 0 /*PyObject *locals*/ ); if (!py_frame) goto bad; py_frame->f_lineno = py_line; PyTraceBack_Here(py_frame); bad: Py_XDECREF(py_code); Py_XDECREF(py_frame); } static int __Pyx_InitStrings(__Pyx_StringTabEntry *t) { while (t->p) { #if PY_MAJOR_VERSION < 3 if (t->is_unicode) { *t->p = PyUnicode_DecodeUTF8(t->s, t->n - 1, NULL); } else if (t->intern) { *t->p = PyString_InternFromString(t->s); } else { *t->p = PyString_FromStringAndSize(t->s, t->n - 1); } #else /* Python 3+ has unicode identifiers */ if (t->is_unicode | t->is_str) { if (t->intern) { *t->p = PyUnicode_InternFromString(t->s); } else if (t->encoding) { *t->p = PyUnicode_Decode(t->s, t->n - 1, t->encoding, NULL); } else { *t->p = PyUnicode_FromStringAndSize(t->s, t->n - 1); } } else { *t->p = PyBytes_FromStringAndSize(t->s, t->n - 1); } #endif if (!*t->p) return -1; ++t; } return 0; } static CYTHON_INLINE PyObject* __Pyx_PyUnicode_FromString(char* c_str) { return __Pyx_PyUnicode_FromStringAndSize(c_str, strlen(c_str)); } static CYTHON_INLINE char* __Pyx_PyObject_AsString(PyObject* o) { Py_ssize_t ignore; return __Pyx_PyObject_AsStringAndSize(o, &ignore); } static CYTHON_INLINE char* __Pyx_PyObject_AsStringAndSize(PyObject* o, Py_ssize_t *length) { #if __PYX_DEFAULT_STRING_ENCODING_IS_ASCII || __PYX_DEFAULT_STRING_ENCODING_IS_DEFAULT if ( #if PY_MAJOR_VERSION < 3 && __PYX_DEFAULT_STRING_ENCODING_IS_ASCII __Pyx_sys_getdefaultencoding_not_ascii && #endif PyUnicode_Check(o)) { #if PY_VERSION_HEX < 0x03030000 char* defenc_c; PyObject* defenc = _PyUnicode_AsDefaultEncodedString(o, NULL); if (!defenc) return NULL; defenc_c = PyBytes_AS_STRING(defenc); #if __PYX_DEFAULT_STRING_ENCODING_IS_ASCII { char* end = defenc_c + PyBytes_GET_SIZE(defenc); char* c; for (c = defenc_c; c < end; c++) { if ((unsigned char) (*c) >= 128) { PyUnicode_AsASCIIString(o); return NULL; } } } #endif /*__PYX_DEFAULT_STRING_ENCODING_IS_ASCII*/ *length = PyBytes_GET_SIZE(defenc); return defenc_c; #else /* PY_VERSION_HEX < 0x03030000 */ if (PyUnicode_READY(o) == -1) return NULL; #if __PYX_DEFAULT_STRING_ENCODING_IS_ASCII if (PyUnicode_IS_ASCII(o)) { *length = PyUnicode_GET_DATA_SIZE(o); return PyUnicode_AsUTF8(o); } else { PyUnicode_AsASCIIString(o); return NULL; } #else /* __PYX_DEFAULT_STRING_ENCODING_IS_ASCII */ return PyUnicode_AsUTF8AndSize(o, length); #endif /* __PYX_DEFAULT_STRING_ENCODING_IS_ASCII */ #endif /* PY_VERSION_HEX < 0x03030000 */ } else #endif /* __PYX_DEFAULT_STRING_ENCODING_IS_ASCII || __PYX_DEFAULT_STRING_ENCODING_IS_DEFAULT */ { char* result; int r = PyBytes_AsStringAndSize(o, &result, length); if (r < 0) { return NULL; } else { return result; } } } static CYTHON_INLINE int __Pyx_PyObject_IsTrue(PyObject* x) { int is_true = x == Py_True; if (is_true | (x == Py_False) | (x == Py_None)) return is_true; else return PyObject_IsTrue(x); } static CYTHON_INLINE PyObject* __Pyx_PyNumber_Int(PyObject* x) { PyNumberMethods *m; const char *name = NULL; PyObject *res = NULL; #if PY_MAJOR_VERSION < 3 if (PyInt_Check(x) || PyLong_Check(x)) #else if (PyLong_Check(x)) #endif return Py_INCREF(x), x; m = Py_TYPE(x)->tp_as_number; #if PY_MAJOR_VERSION < 3 if (m && m->nb_int) { name = "int"; res = PyNumber_Int(x); } else if (m && m->nb_long) { name = "long"; res = PyNumber_Long(x); } #else if (m && m->nb_int) { name = "int"; res = PyNumber_Long(x); } #endif if (res) { #if PY_MAJOR_VERSION < 3 if (!PyInt_Check(res) && !PyLong_Check(res)) { #else if (!PyLong_Check(res)) { #endif PyErr_Format(PyExc_TypeError, "__%s__ returned non-%s (type %.200s)", name, name, Py_TYPE(res)->tp_name); Py_DECREF(res); return NULL; } } else if (!PyErr_Occurred()) { PyErr_SetString(PyExc_TypeError, "an integer is required"); } return res; } static CYTHON_INLINE Py_ssize_t __Pyx_PyIndex_AsSsize_t(PyObject* b) { Py_ssize_t ival; PyObject* x = PyNumber_Index(b); if (!x) return -1; ival = PyInt_AsSsize_t(x); Py_DECREF(x); return ival; } static CYTHON_INLINE PyObject * __Pyx_PyInt_FromSize_t(size_t ival) { #if PY_VERSION_HEX < 0x02050000 if (ival <= LONG_MAX) return PyInt_FromLong((long)ival); else { unsigned char *bytes = (unsigned char *) &ival; int one = 1; int little = (int)*(unsigned char*)&one; return _PyLong_FromByteArray(bytes, sizeof(size_t), little, 0); } #else return PyInt_FromSize_t(ival); #endif } static CYTHON_INLINE size_t __Pyx_PyInt_AsSize_t(PyObject* x) { unsigned PY_LONG_LONG val = __Pyx_PyInt_AsUnsignedLongLong(x); if (unlikely(val != (unsigned PY_LONG_LONG)(size_t)val)) { if ((val != (unsigned PY_LONG_LONG)-1) || !PyErr_Occurred()) PyErr_SetString(PyExc_OverflowError, "value too large to convert to size_t"); return (size_t)-1; } return (size_t)val; } #endif /* Py_PYTHON_H */ PyMca5-5.2.2/PyMca5/Object3D/Object3DQhull/_qhull/qhull.pxd0000644000276300001750000000633513136054446023164 0ustar solebliss00000000000000#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ cimport numpy cdef extern from "stdio.h": ctypedef void FILE extern FILE * stderr cdef extern from 'user.h': # Sync floating point type with qhull # See REALfloat macro in qhull/src/user.h IF REALfloat == 1: ctypedef numpy.float32_t realT ELSE: ctypedef numpy.float64_t realT # Debian libqhull-dev renamed libqhull.h tp qhull.h # include qhull_a.h instead to workaround this case # cdef extern from 'libqhull.h': cdef extern from 'qhull_a.h': ctypedef unsigned int boolT ctypedef realT coordT ctypedef unsigned int flagT ctypedef coordT pointT ctypedef struct vertexT: pointT * point ctypedef struct facetT: facetT * next setT * vertices flagT upperdelaunay ctypedef struct qhT: facetT * facet_list int qh_new_qhull(int dim, int numpoints, coordT * points, boolT ismalloc, char * qhull_cmd, FILE * outfile, FILE * errfile) nogil void qh_freeqhull(boolT allmem) nogil int qh_pointid(pointT * point) nogil void qh_setdelaunay(int dim, int count, pointT * points) nogil # facetT * qh_findbestfacet(pointT * point, boolT bestoutside, # realT * bestdist, boolT * isoutside) nogil extern char * qh_version # WARNING sync type with #define qh_QHpointer in user.h IF qh_QHpointer == 0: extern qhT qh_qh ELSE: extern qhT * qh_qh boolT qh_ALL = True int qh_ERRnone = 0 int qh_ERRinput = 1 int qh_ERRsingular = 2 int qh_ERRprec = 3 int qh_ERRmem = 4 int qh_ERRqhull = 5 cdef extern from 'qset.h': ctypedef union setelemT: void * p int i ctypedef struct setT: int maxsize setelemT e[1] # cdef extern from 'geom.h': # pointT *qh_facetcenter(setT *vertices) nogil PyMca5-5.2.2/PyMca5/Object3D/Object3DQhull/_qhull/_qhull64.pyx0000644000276300001750000000007113136054446023511 0ustar solebliss00000000000000# Proxy to qhull wrapper for 64-bits include 'qhull.pxi' PyMca5-5.2.2/PyMca5/Object3D/Object3DQhull/_qhull/_qhull32.pyx0000644000276300001750000000007113136054446023504 0ustar solebliss00000000000000# Proxy to qhull wrapper for 32-bits include 'qhull.pxi' PyMca5-5.2.2/PyMca5/Object3D/Object3DQhull/_qhull/_qhull64.c0000644000276300001750000265271413136054446023136 0ustar solebliss00000000000000/* Generated by Cython 0.19.1 on Wed Jul 29 15:48:38 2015 */ #define PY_SSIZE_T_CLEAN #ifndef CYTHON_USE_PYLONG_INTERNALS #ifdef PYLONG_BITS_IN_DIGIT #define CYTHON_USE_PYLONG_INTERNALS 0 #else #include "pyconfig.h" #ifdef PYLONG_BITS_IN_DIGIT #define CYTHON_USE_PYLONG_INTERNALS 1 #else #define CYTHON_USE_PYLONG_INTERNALS 0 #endif #endif #endif #include "Python.h" #ifndef Py_PYTHON_H #error Python headers needed to compile C extensions, please install development version of Python. #elif PY_VERSION_HEX < 0x02040000 #error Cython requires Python 2.4+. #else #include /* For offsetof */ #ifndef offsetof #define offsetof(type, member) ( (size_t) & ((type*)0) -> member ) #endif #if !defined(WIN32) && !defined(MS_WINDOWS) #ifndef __stdcall #define __stdcall #endif #ifndef __cdecl #define __cdecl #endif #ifndef __fastcall #define __fastcall #endif #endif #ifndef DL_IMPORT #define DL_IMPORT(t) t #endif #ifndef DL_EXPORT #define DL_EXPORT(t) t #endif #ifndef PY_LONG_LONG #define PY_LONG_LONG LONG_LONG #endif #ifndef Py_HUGE_VAL #define Py_HUGE_VAL HUGE_VAL #endif #ifdef PYPY_VERSION #define CYTHON_COMPILING_IN_PYPY 1 #define CYTHON_COMPILING_IN_CPYTHON 0 #else #define CYTHON_COMPILING_IN_PYPY 0 #define CYTHON_COMPILING_IN_CPYTHON 1 #endif #if PY_VERSION_HEX < 0x02050000 typedef int Py_ssize_t; #define PY_SSIZE_T_MAX INT_MAX #define PY_SSIZE_T_MIN INT_MIN #define PY_FORMAT_SIZE_T "" #define CYTHON_FORMAT_SSIZE_T "" #define PyInt_FromSsize_t(z) PyInt_FromLong(z) #define PyInt_AsSsize_t(o) __Pyx_PyInt_AsInt(o) #define PyNumber_Index(o) ((PyNumber_Check(o) && !PyFloat_Check(o)) ? PyNumber_Int(o) : \ (PyErr_Format(PyExc_TypeError, \ "expected index value, got %.200s", Py_TYPE(o)->tp_name), \ (PyObject*)0)) #define __Pyx_PyIndex_Check(o) (PyNumber_Check(o) && !PyFloat_Check(o) && \ !PyComplex_Check(o)) #define PyIndex_Check __Pyx_PyIndex_Check #define PyErr_WarnEx(category, message, stacklevel) PyErr_Warn(category, message) #define __PYX_BUILD_PY_SSIZE_T "i" #else #define __PYX_BUILD_PY_SSIZE_T "n" #define CYTHON_FORMAT_SSIZE_T "z" #define __Pyx_PyIndex_Check PyIndex_Check #endif #if PY_VERSION_HEX < 0x02060000 #define Py_REFCNT(ob) (((PyObject*)(ob))->ob_refcnt) #define Py_TYPE(ob) (((PyObject*)(ob))->ob_type) #define Py_SIZE(ob) (((PyVarObject*)(ob))->ob_size) #define PyVarObject_HEAD_INIT(type, size) \ PyObject_HEAD_INIT(type) size, #define PyType_Modified(t) typedef struct { void *buf; PyObject *obj; Py_ssize_t len; Py_ssize_t itemsize; int readonly; int ndim; char *format; Py_ssize_t *shape; Py_ssize_t *strides; Py_ssize_t *suboffsets; void *internal; } Py_buffer; #define PyBUF_SIMPLE 0 #define PyBUF_WRITABLE 0x0001 #define PyBUF_FORMAT 0x0004 #define PyBUF_ND 0x0008 #define PyBUF_STRIDES (0x0010 | PyBUF_ND) #define PyBUF_C_CONTIGUOUS (0x0020 | PyBUF_STRIDES) #define PyBUF_F_CONTIGUOUS (0x0040 | PyBUF_STRIDES) #define PyBUF_ANY_CONTIGUOUS (0x0080 | PyBUF_STRIDES) #define PyBUF_INDIRECT (0x0100 | PyBUF_STRIDES) #define PyBUF_RECORDS (PyBUF_STRIDES | PyBUF_FORMAT | PyBUF_WRITABLE) #define PyBUF_FULL (PyBUF_INDIRECT | PyBUF_FORMAT | PyBUF_WRITABLE) typedef int (*getbufferproc)(PyObject *, Py_buffer *, int); typedef void (*releasebufferproc)(PyObject *, Py_buffer *); #endif #if PY_MAJOR_VERSION < 3 #define __Pyx_BUILTIN_MODULE_NAME "__builtin__" #define __Pyx_PyCode_New(a, k, l, s, f, code, c, n, v, fv, cell, fn, name, fline, lnos) \ PyCode_New(a, l, s, f, code, c, n, v, fv, cell, fn, name, fline, lnos) #else #define __Pyx_BUILTIN_MODULE_NAME "builtins" #define __Pyx_PyCode_New(a, k, l, s, f, code, c, n, v, fv, cell, fn, name, fline, lnos) \ PyCode_New(a, k, l, s, f, code, c, n, v, fv, cell, fn, name, fline, lnos) #endif #if PY_MAJOR_VERSION < 3 && PY_MINOR_VERSION < 6 #define PyUnicode_FromString(s) PyUnicode_Decode(s, strlen(s), "UTF-8", "strict") #endif #if PY_MAJOR_VERSION >= 3 #define Py_TPFLAGS_CHECKTYPES 0 #define Py_TPFLAGS_HAVE_INDEX 0 #endif #if (PY_VERSION_HEX < 0x02060000) || (PY_MAJOR_VERSION >= 3) #define Py_TPFLAGS_HAVE_NEWBUFFER 0 #endif #if PY_VERSION_HEX < 0x02060000 #define Py_TPFLAGS_HAVE_VERSION_TAG 0 #endif #if PY_VERSION_HEX > 0x03030000 && defined(PyUnicode_KIND) #define CYTHON_PEP393_ENABLED 1 #define __Pyx_PyUnicode_READY(op) (likely(PyUnicode_IS_READY(op)) ? \ 0 : _PyUnicode_Ready((PyObject *)(op))) #define __Pyx_PyUnicode_GET_LENGTH(u) PyUnicode_GET_LENGTH(u) #define __Pyx_PyUnicode_READ_CHAR(u, i) PyUnicode_READ_CHAR(u, i) #define __Pyx_PyUnicode_READ(k, d, i) PyUnicode_READ(k, d, i) #else #define CYTHON_PEP393_ENABLED 0 #define __Pyx_PyUnicode_READY(op) (0) #define __Pyx_PyUnicode_GET_LENGTH(u) PyUnicode_GET_SIZE(u) #define __Pyx_PyUnicode_READ_CHAR(u, i) ((Py_UCS4)(PyUnicode_AS_UNICODE(u)[i])) #define __Pyx_PyUnicode_READ(k, d, i) ((k=k), (Py_UCS4)(((Py_UNICODE*)d)[i])) #endif #if PY_MAJOR_VERSION >= 3 #define PyBaseString_Type PyUnicode_Type #define PyStringObject PyUnicodeObject #define PyString_Type PyUnicode_Type #define PyString_Check PyUnicode_Check #define PyString_CheckExact PyUnicode_CheckExact #endif #if PY_VERSION_HEX < 0x02060000 #define PyBytesObject PyStringObject #define PyBytes_Type PyString_Type #define PyBytes_Check PyString_Check #define PyBytes_CheckExact PyString_CheckExact #define PyBytes_FromString PyString_FromString #define PyBytes_FromStringAndSize PyString_FromStringAndSize #define PyBytes_FromFormat PyString_FromFormat #define PyBytes_DecodeEscape PyString_DecodeEscape #define PyBytes_AsString PyString_AsString #define PyBytes_AsStringAndSize PyString_AsStringAndSize #define PyBytes_Size PyString_Size #define PyBytes_AS_STRING PyString_AS_STRING #define PyBytes_GET_SIZE PyString_GET_SIZE #define PyBytes_Repr PyString_Repr #define PyBytes_Concat PyString_Concat #define PyBytes_ConcatAndDel PyString_ConcatAndDel #endif #if PY_MAJOR_VERSION >= 3 #define __Pyx_PyBaseString_Check(obj) PyUnicode_Check(obj) #define __Pyx_PyBaseString_CheckExact(obj) PyUnicode_CheckExact(obj) #else #define __Pyx_PyBaseString_Check(obj) (PyString_CheckExact(obj) || PyUnicode_CheckExact(obj) || \ PyString_Check(obj) || PyUnicode_Check(obj)) #define __Pyx_PyBaseString_CheckExact(obj) (Py_TYPE(obj) == &PyBaseString_Type) #endif #if PY_VERSION_HEX < 0x02060000 #define PySet_Check(obj) PyObject_TypeCheck(obj, &PySet_Type) #define PyFrozenSet_Check(obj) PyObject_TypeCheck(obj, &PyFrozenSet_Type) #endif #ifndef PySet_CheckExact #define PySet_CheckExact(obj) (Py_TYPE(obj) == &PySet_Type) #endif #define __Pyx_TypeCheck(obj, type) PyObject_TypeCheck(obj, (PyTypeObject *)type) #if PY_MAJOR_VERSION >= 3 #define PyIntObject PyLongObject #define PyInt_Type PyLong_Type #define PyInt_Check(op) PyLong_Check(op) #define PyInt_CheckExact(op) PyLong_CheckExact(op) #define PyInt_FromString PyLong_FromString #define PyInt_FromUnicode PyLong_FromUnicode #define PyInt_FromLong PyLong_FromLong #define PyInt_FromSize_t PyLong_FromSize_t #define PyInt_FromSsize_t PyLong_FromSsize_t #define PyInt_AsLong PyLong_AsLong #define PyInt_AS_LONG PyLong_AS_LONG #define PyInt_AsSsize_t PyLong_AsSsize_t #define PyInt_AsUnsignedLongMask PyLong_AsUnsignedLongMask #define PyInt_AsUnsignedLongLongMask PyLong_AsUnsignedLongLongMask #endif #if PY_MAJOR_VERSION >= 3 #define PyBoolObject PyLongObject #endif #if PY_VERSION_HEX < 0x03020000 typedef long Py_hash_t; #define __Pyx_PyInt_FromHash_t PyInt_FromLong #define __Pyx_PyInt_AsHash_t PyInt_AsLong #else #define __Pyx_PyInt_FromHash_t PyInt_FromSsize_t #define __Pyx_PyInt_AsHash_t PyInt_AsSsize_t #endif #if (PY_MAJOR_VERSION < 3) || (PY_VERSION_HEX >= 0x03010300) #define __Pyx_PySequence_GetSlice(obj, a, b) PySequence_GetSlice(obj, a, b) #define __Pyx_PySequence_SetSlice(obj, a, b, value) PySequence_SetSlice(obj, a, b, value) #define __Pyx_PySequence_DelSlice(obj, a, b) PySequence_DelSlice(obj, a, b) #else #define __Pyx_PySequence_GetSlice(obj, a, b) (unlikely(!(obj)) ? \ (PyErr_SetString(PyExc_SystemError, "null argument to internal routine"), (PyObject*)0) : \ (likely((obj)->ob_type->tp_as_mapping) ? (PySequence_GetSlice(obj, a, b)) : \ (PyErr_Format(PyExc_TypeError, "'%.200s' object is unsliceable", (obj)->ob_type->tp_name), (PyObject*)0))) #define __Pyx_PySequence_SetSlice(obj, a, b, value) (unlikely(!(obj)) ? \ (PyErr_SetString(PyExc_SystemError, "null argument to internal routine"), -1) : \ (likely((obj)->ob_type->tp_as_mapping) ? (PySequence_SetSlice(obj, a, b, value)) : \ (PyErr_Format(PyExc_TypeError, "'%.200s' object doesn't support slice assignment", (obj)->ob_type->tp_name), -1))) #define __Pyx_PySequence_DelSlice(obj, a, b) (unlikely(!(obj)) ? \ (PyErr_SetString(PyExc_SystemError, "null argument to internal routine"), -1) : \ (likely((obj)->ob_type->tp_as_mapping) ? (PySequence_DelSlice(obj, a, b)) : \ (PyErr_Format(PyExc_TypeError, "'%.200s' object doesn't support slice deletion", (obj)->ob_type->tp_name), -1))) #endif #if PY_MAJOR_VERSION >= 3 #define PyMethod_New(func, self, klass) ((self) ? PyMethod_New(func, self) : PyInstanceMethod_New(func)) #endif #if PY_VERSION_HEX < 0x02050000 #define __Pyx_GetAttrString(o,n) PyObject_GetAttrString((o),((char *)(n))) #define __Pyx_SetAttrString(o,n,a) PyObject_SetAttrString((o),((char *)(n)),(a)) #define __Pyx_DelAttrString(o,n) PyObject_DelAttrString((o),((char *)(n))) #else #define __Pyx_GetAttrString(o,n) PyObject_GetAttrString((o),(n)) #define __Pyx_SetAttrString(o,n,a) PyObject_SetAttrString((o),(n),(a)) #define __Pyx_DelAttrString(o,n) PyObject_DelAttrString((o),(n)) #endif #if PY_VERSION_HEX < 0x02050000 #define __Pyx_NAMESTR(n) ((char *)(n)) #define __Pyx_DOCSTR(n) ((char *)(n)) #else #define __Pyx_NAMESTR(n) (n) #define __Pyx_DOCSTR(n) (n) #endif #ifndef CYTHON_INLINE #if defined(__GNUC__) #define CYTHON_INLINE __inline__ #elif defined(_MSC_VER) #define CYTHON_INLINE __inline #elif defined (__STDC_VERSION__) && __STDC_VERSION__ >= 199901L #define CYTHON_INLINE inline #else #define CYTHON_INLINE #endif #endif #ifndef CYTHON_RESTRICT #if defined(__GNUC__) #define CYTHON_RESTRICT __restrict__ #elif defined(_MSC_VER) && _MSC_VER >= 1400 #define CYTHON_RESTRICT __restrict #elif defined (__STDC_VERSION__) && __STDC_VERSION__ >= 199901L #define CYTHON_RESTRICT restrict #else #define CYTHON_RESTRICT #endif #endif #ifdef NAN #define __PYX_NAN() ((float) NAN) #else static CYTHON_INLINE float __PYX_NAN() { /* Initialize NaN. The sign is irrelevant, an exponent with all bits 1 and a nonzero mantissa means NaN. If the first bit in the mantissa is 1, it is a quiet NaN. */ float value; memset(&value, 0xFF, sizeof(value)); return value; } #endif #if PY_MAJOR_VERSION >= 3 #define __Pyx_PyNumber_Divide(x,y) PyNumber_TrueDivide(x,y) #define __Pyx_PyNumber_InPlaceDivide(x,y) PyNumber_InPlaceTrueDivide(x,y) #else #define __Pyx_PyNumber_Divide(x,y) PyNumber_Divide(x,y) #define __Pyx_PyNumber_InPlaceDivide(x,y) PyNumber_InPlaceDivide(x,y) #endif #ifndef __PYX_EXTERN_C #ifdef __cplusplus #define __PYX_EXTERN_C extern "C" #else #define __PYX_EXTERN_C extern #endif #endif #if defined(WIN32) || defined(MS_WINDOWS) #define _USE_MATH_DEFINES #endif #include #define __PYX_HAVE___qhull64 #define __PYX_HAVE_API___qhull64 #include "string.h" #include "stdio.h" #include "stdlib.h" #include "numpy/arrayobject.h" #include "numpy/ufuncobject.h" #include "user.h" #include "qhull_a.h" #include "qset.h" #include "pythread.h" #include "pystate.h" #ifdef _OPENMP #include #endif /* _OPENMP */ #ifdef PYREX_WITHOUT_ASSERTIONS #define CYTHON_WITHOUT_ASSERTIONS #endif #ifndef CYTHON_UNUSED # if defined(__GNUC__) # if !(defined(__cplusplus)) || (__GNUC__ > 3 || (__GNUC__ == 3 && __GNUC_MINOR__ >= 4)) # define CYTHON_UNUSED __attribute__ ((__unused__)) # else # define CYTHON_UNUSED # endif # elif defined(__ICC) || (defined(__INTEL_COMPILER) && !defined(_MSC_VER)) # define CYTHON_UNUSED __attribute__ ((__unused__)) # else # define CYTHON_UNUSED # endif #endif typedef struct {PyObject **p; char *s; const Py_ssize_t n; const char* encoding; const char is_unicode; const char is_str; const char intern; } __Pyx_StringTabEntry; /*proto*/ #define __PYX_DEFAULT_STRING_ENCODING_IS_ASCII 0 #define __PYX_DEFAULT_STRING_ENCODING_IS_DEFAULT 0 #define __PYX_DEFAULT_STRING_ENCODING "" #define __Pyx_PyObject_FromString __Pyx_PyBytes_FromString #define __Pyx_PyObject_FromStringAndSize __Pyx_PyBytes_FromStringAndSize static CYTHON_INLINE char* __Pyx_PyObject_AsString(PyObject*); static CYTHON_INLINE char* __Pyx_PyObject_AsStringAndSize(PyObject*, Py_ssize_t* length); #define __Pyx_PyBytes_FromString PyBytes_FromString #define __Pyx_PyBytes_FromStringAndSize PyBytes_FromStringAndSize static CYTHON_INLINE PyObject* __Pyx_PyUnicode_FromString(char*); #if PY_MAJOR_VERSION < 3 #define __Pyx_PyStr_FromString __Pyx_PyBytes_FromString #define __Pyx_PyStr_FromStringAndSize __Pyx_PyBytes_FromStringAndSize #else #define __Pyx_PyStr_FromString __Pyx_PyUnicode_FromString #define __Pyx_PyStr_FromStringAndSize __Pyx_PyUnicode_FromStringAndSize #endif #define __Pyx_PyObject_AsUString(s) ((unsigned char*) __Pyx_PyObject_AsString(s)) #define __Pyx_PyObject_FromUString(s) __Pyx_PyObject_FromString((char*)s) #define __Pyx_PyBytes_FromUString(s) __Pyx_PyBytes_FromString((char*)s) #define __Pyx_PyStr_FromUString(s) __Pyx_PyStr_FromString((char*)s) #define __Pyx_PyUnicode_FromUString(s) __Pyx_PyUnicode_FromString((char*)s) #if PY_MAJOR_VERSION < 3 static CYTHON_INLINE size_t __Pyx_Py_UNICODE_strlen(const Py_UNICODE *u) { const Py_UNICODE *u_end = u; while (*u_end++) ; return u_end - u - 1; } #else #define __Pyx_Py_UNICODE_strlen Py_UNICODE_strlen #endif #define __Pyx_PyUnicode_FromUnicode(u) PyUnicode_FromUnicode(u, __Pyx_Py_UNICODE_strlen(u)) #define __Pyx_PyUnicode_FromUnicodeAndLength PyUnicode_FromUnicode #define __Pyx_PyUnicode_AsUnicode PyUnicode_AsUnicode #define __Pyx_Owned_Py_None(b) (Py_INCREF(Py_None), Py_None) #define __Pyx_PyBool_FromLong(b) ((b) ? (Py_INCREF(Py_True), Py_True) : (Py_INCREF(Py_False), Py_False)) static CYTHON_INLINE int __Pyx_PyObject_IsTrue(PyObject*); static CYTHON_INLINE PyObject* __Pyx_PyNumber_Int(PyObject* x); static CYTHON_INLINE Py_ssize_t __Pyx_PyIndex_AsSsize_t(PyObject*); static CYTHON_INLINE PyObject * __Pyx_PyInt_FromSize_t(size_t); static CYTHON_INLINE size_t __Pyx_PyInt_AsSize_t(PyObject*); #if CYTHON_COMPILING_IN_CPYTHON #define __pyx_PyFloat_AsDouble(x) (PyFloat_CheckExact(x) ? PyFloat_AS_DOUBLE(x) : PyFloat_AsDouble(x)) #else #define __pyx_PyFloat_AsDouble(x) PyFloat_AsDouble(x) #endif #define __pyx_PyFloat_AsFloat(x) ((float) __pyx_PyFloat_AsDouble(x)) #if PY_MAJOR_VERSION < 3 && __PYX_DEFAULT_STRING_ENCODING_IS_ASCII static int __Pyx_sys_getdefaultencoding_not_ascii; static int __Pyx_init_sys_getdefaultencoding_params() { PyObject* sys = NULL; PyObject* default_encoding = NULL; PyObject* ascii_chars_u = NULL; PyObject* ascii_chars_b = NULL; sys = PyImport_ImportModule("sys"); if (sys == NULL) goto bad; default_encoding = PyObject_CallMethod(sys, (char*) (const char*) "getdefaultencoding", NULL); if (default_encoding == NULL) goto bad; if (strcmp(PyBytes_AsString(default_encoding), "ascii") == 0) { __Pyx_sys_getdefaultencoding_not_ascii = 0; } else { const char* default_encoding_c = PyBytes_AS_STRING(default_encoding); char ascii_chars[128]; int c; for (c = 0; c < 128; c++) { ascii_chars[c] = c; } __Pyx_sys_getdefaultencoding_not_ascii = 1; ascii_chars_u = PyUnicode_DecodeASCII(ascii_chars, 128, NULL); if (ascii_chars_u == NULL) goto bad; ascii_chars_b = PyUnicode_AsEncodedString(ascii_chars_u, default_encoding_c, NULL); if (ascii_chars_b == NULL || strncmp(ascii_chars, PyBytes_AS_STRING(ascii_chars_b), 128) != 0) { PyErr_Format( PyExc_ValueError, "This module compiled with c_string_encoding=ascii, but default encoding '%s' is not a superset of ascii.", default_encoding_c); goto bad; } } Py_XDECREF(sys); Py_XDECREF(default_encoding); Py_XDECREF(ascii_chars_u); Py_XDECREF(ascii_chars_b); return 0; bad: Py_XDECREF(sys); Py_XDECREF(default_encoding); Py_XDECREF(ascii_chars_u); Py_XDECREF(ascii_chars_b); return -1; } #endif #if __PYX_DEFAULT_STRING_ENCODING_IS_DEFAULT && PY_MAJOR_VERSION >= 3 #define __Pyx_PyUnicode_FromStringAndSize(c_str, size) PyUnicode_DecodeUTF8(c_str, size, NULL) #else #define __Pyx_PyUnicode_FromStringAndSize(c_str, size) PyUnicode_Decode(c_str, size, __PYX_DEFAULT_STRING_ENCODING, NULL) #if __PYX_DEFAULT_STRING_ENCODING_IS_DEFAULT static char* __PYX_DEFAULT_STRING_ENCODING; static int __Pyx_init_sys_getdefaultencoding_params() { PyObject* sys = NULL; PyObject* default_encoding = NULL; char* default_encoding_c; sys = PyImport_ImportModule("sys"); if (sys == NULL) goto bad; default_encoding = PyObject_CallMethod(sys, (char*) (const char*) "getdefaultencoding", NULL); if (default_encoding == NULL) goto bad; default_encoding_c = PyBytes_AS_STRING(default_encoding); __PYX_DEFAULT_STRING_ENCODING = (char*) malloc(strlen(default_encoding_c)); strcpy(__PYX_DEFAULT_STRING_ENCODING, default_encoding_c); Py_DECREF(sys); Py_DECREF(default_encoding); return 0; bad: Py_XDECREF(sys); Py_XDECREF(default_encoding); return -1; } #endif #endif #ifdef __GNUC__ /* Test for GCC > 2.95 */ #if __GNUC__ > 2 || (__GNUC__ == 2 && (__GNUC_MINOR__ > 95)) #define likely(x) __builtin_expect(!!(x), 1) #define unlikely(x) __builtin_expect(!!(x), 0) #else /* __GNUC__ > 2 ... */ #define likely(x) (x) #define unlikely(x) (x) #endif /* __GNUC__ > 2 ... */ #else /* __GNUC__ */ #define likely(x) (x) #define unlikely(x) (x) #endif /* __GNUC__ */ static PyObject *__pyx_m; static PyObject *__pyx_d; static PyObject *__pyx_b; static PyObject *__pyx_empty_tuple; static PyObject *__pyx_empty_bytes; static int __pyx_lineno; static int __pyx_clineno = 0; static const char * __pyx_cfilenm= __FILE__; static const char *__pyx_filename; #if !defined(CYTHON_CCOMPLEX) #if defined(__cplusplus) #define CYTHON_CCOMPLEX 1 #elif defined(_Complex_I) #define CYTHON_CCOMPLEX 1 #else #define CYTHON_CCOMPLEX 0 #endif #endif #if CYTHON_CCOMPLEX #ifdef __cplusplus #include #else #include #endif #endif #if CYTHON_CCOMPLEX && !defined(__cplusplus) && defined(__sun__) && defined(__GNUC__) #undef _Complex_I #define _Complex_I 1.0fj #endif static const char *__pyx_f[] = { "qhull.pxi", "numpy.pxd", "stringsource", "_qhull64.pyx", "type.pxd", }; #define IS_UNSIGNED(type) (((type) -1) > 0) struct __Pyx_StructField_; #define __PYX_BUF_FLAGS_PACKED_STRUCT (1 << 0) typedef struct { const char* name; /* for error messages only */ struct __Pyx_StructField_* fields; size_t size; /* sizeof(type) */ size_t arraysize[8]; /* length of array in each dimension */ int ndim; char typegroup; /* _R_eal, _C_omplex, Signed _I_nt, _U_nsigned int, _S_truct, _P_ointer, _O_bject, c_H_ar */ char is_unsigned; int flags; } __Pyx_TypeInfo; typedef struct __Pyx_StructField_ { __Pyx_TypeInfo* type; const char* name; size_t offset; } __Pyx_StructField; typedef struct { __Pyx_StructField* field; size_t parent_offset; } __Pyx_BufFmt_StackElem; typedef struct { __Pyx_StructField root; __Pyx_BufFmt_StackElem* head; size_t fmt_offset; size_t new_count, enc_count; size_t struct_alignment; int is_complex; char enc_type; char new_packmode; char enc_packmode; char is_valid_array; } __Pyx_BufFmt_Context; struct __pyx_memoryview_obj; typedef struct { struct __pyx_memoryview_obj *memview; char *data; Py_ssize_t shape[8]; Py_ssize_t strides[8]; Py_ssize_t suboffsets[8]; } __Pyx_memviewslice; #include #ifndef CYTHON_ATOMICS #define CYTHON_ATOMICS 1 #endif #define __pyx_atomic_int_type int #if CYTHON_ATOMICS && __GNUC__ >= 4 && (__GNUC_MINOR__ > 1 || \ (__GNUC_MINOR__ == 1 && __GNUC_PATCHLEVEL >= 2)) && \ !defined(__i386__) #define __pyx_atomic_incr_aligned(value, lock) __sync_fetch_and_add(value, 1) #define __pyx_atomic_decr_aligned(value, lock) __sync_fetch_and_sub(value, 1) #ifdef __PYX_DEBUG_ATOMICS #warning "Using GNU atomics" #endif #elif CYTHON_ATOMICS && MSC_VER #include #define __pyx_atomic_int_type LONG #define __pyx_atomic_incr_aligned(value, lock) InterlockedIncrement(value) #define __pyx_atomic_decr_aligned(value, lock) InterlockedDecrement(value) #ifdef __PYX_DEBUG_ATOMICS #warning "Using MSVC atomics" #endif #elif CYTHON_ATOMICS && (defined(__ICC) || defined(__INTEL_COMPILER)) && 0 #define __pyx_atomic_incr_aligned(value, lock) _InterlockedIncrement(value) #define __pyx_atomic_decr_aligned(value, lock) _InterlockedDecrement(value) #ifdef __PYX_DEBUG_ATOMICS #warning "Using Intel atomics" #endif #else #undef CYTHON_ATOMICS #define CYTHON_ATOMICS 0 #ifdef __PYX_DEBUG_ATOMICS #warning "Not using atomics" #endif #endif typedef volatile __pyx_atomic_int_type __pyx_atomic_int; #if CYTHON_ATOMICS #define __pyx_add_acquisition_count(memview) \ __pyx_atomic_incr_aligned(__pyx_get_slice_count_pointer(memview), memview->lock) #define __pyx_sub_acquisition_count(memview) \ __pyx_atomic_decr_aligned(__pyx_get_slice_count_pointer(memview), memview->lock) #else #define __pyx_add_acquisition_count(memview) \ __pyx_add_acquisition_count_locked(__pyx_get_slice_count_pointer(memview), memview->lock) #define __pyx_sub_acquisition_count(memview) \ __pyx_sub_acquisition_count_locked(__pyx_get_slice_count_pointer(memview), memview->lock) #endif /* "numpy.pxd":723 * # in Cython to enable them only on the right systems. * * ctypedef npy_int8 int8_t # <<<<<<<<<<<<<< * ctypedef npy_int16 int16_t * ctypedef npy_int32 int32_t */ typedef npy_int8 __pyx_t_5numpy_int8_t; /* "numpy.pxd":724 * * ctypedef npy_int8 int8_t * ctypedef npy_int16 int16_t # <<<<<<<<<<<<<< * ctypedef npy_int32 int32_t * ctypedef npy_int64 int64_t */ typedef npy_int16 __pyx_t_5numpy_int16_t; /* "numpy.pxd":725 * ctypedef npy_int8 int8_t * ctypedef npy_int16 int16_t * ctypedef npy_int32 int32_t # <<<<<<<<<<<<<< * ctypedef npy_int64 int64_t * #ctypedef npy_int96 int96_t */ typedef npy_int32 __pyx_t_5numpy_int32_t; /* "numpy.pxd":726 * ctypedef npy_int16 int16_t * ctypedef npy_int32 int32_t * ctypedef npy_int64 int64_t # <<<<<<<<<<<<<< * #ctypedef npy_int96 int96_t * #ctypedef npy_int128 int128_t */ typedef npy_int64 __pyx_t_5numpy_int64_t; /* "numpy.pxd":730 * #ctypedef npy_int128 int128_t * * ctypedef npy_uint8 uint8_t # <<<<<<<<<<<<<< * ctypedef npy_uint16 uint16_t * ctypedef npy_uint32 uint32_t */ typedef npy_uint8 __pyx_t_5numpy_uint8_t; /* "numpy.pxd":731 * * ctypedef npy_uint8 uint8_t * ctypedef npy_uint16 uint16_t # <<<<<<<<<<<<<< * ctypedef npy_uint32 uint32_t * ctypedef npy_uint64 uint64_t */ typedef npy_uint16 __pyx_t_5numpy_uint16_t; /* "numpy.pxd":732 * ctypedef npy_uint8 uint8_t * ctypedef npy_uint16 uint16_t * ctypedef npy_uint32 uint32_t # <<<<<<<<<<<<<< * ctypedef npy_uint64 uint64_t * #ctypedef npy_uint96 uint96_t */ typedef npy_uint32 __pyx_t_5numpy_uint32_t; /* "numpy.pxd":733 * ctypedef npy_uint16 uint16_t * ctypedef npy_uint32 uint32_t * ctypedef npy_uint64 uint64_t # <<<<<<<<<<<<<< * #ctypedef npy_uint96 uint96_t * #ctypedef npy_uint128 uint128_t */ typedef npy_uint64 __pyx_t_5numpy_uint64_t; /* "numpy.pxd":737 * #ctypedef npy_uint128 uint128_t * * ctypedef npy_float32 float32_t # <<<<<<<<<<<<<< * ctypedef npy_float64 float64_t * #ctypedef npy_float80 float80_t */ typedef npy_float32 __pyx_t_5numpy_float32_t; /* "numpy.pxd":738 * * ctypedef npy_float32 float32_t * ctypedef npy_float64 float64_t # <<<<<<<<<<<<<< * #ctypedef npy_float80 float80_t * #ctypedef npy_float128 float128_t */ typedef npy_float64 __pyx_t_5numpy_float64_t; /* "numpy.pxd":747 * # The int types are mapped a bit surprising -- * # numpy.int corresponds to 'l' and numpy.long to 'q' * ctypedef npy_long int_t # <<<<<<<<<<<<<< * ctypedef npy_longlong long_t * ctypedef npy_longlong longlong_t */ typedef npy_long __pyx_t_5numpy_int_t; /* "numpy.pxd":748 * # numpy.int corresponds to 'l' and numpy.long to 'q' * ctypedef npy_long int_t * ctypedef npy_longlong long_t # <<<<<<<<<<<<<< * ctypedef npy_longlong longlong_t * */ typedef npy_longlong __pyx_t_5numpy_long_t; /* "numpy.pxd":749 * ctypedef npy_long int_t * ctypedef npy_longlong long_t * ctypedef npy_longlong longlong_t # <<<<<<<<<<<<<< * * ctypedef npy_ulong uint_t */ typedef npy_longlong __pyx_t_5numpy_longlong_t; /* "numpy.pxd":751 * ctypedef npy_longlong longlong_t * * ctypedef npy_ulong uint_t # <<<<<<<<<<<<<< * ctypedef npy_ulonglong ulong_t * ctypedef npy_ulonglong ulonglong_t */ typedef npy_ulong __pyx_t_5numpy_uint_t; /* "numpy.pxd":752 * * ctypedef npy_ulong uint_t * ctypedef npy_ulonglong ulong_t # <<<<<<<<<<<<<< * ctypedef npy_ulonglong ulonglong_t * */ typedef npy_ulonglong __pyx_t_5numpy_ulong_t; /* "numpy.pxd":753 * ctypedef npy_ulong uint_t * ctypedef npy_ulonglong ulong_t * ctypedef npy_ulonglong ulonglong_t # <<<<<<<<<<<<<< * * ctypedef npy_intp intp_t */ typedef npy_ulonglong __pyx_t_5numpy_ulonglong_t; /* "numpy.pxd":755 * ctypedef npy_ulonglong ulonglong_t * * ctypedef npy_intp intp_t # <<<<<<<<<<<<<< * ctypedef npy_uintp uintp_t * */ typedef npy_intp __pyx_t_5numpy_intp_t; /* "numpy.pxd":756 * * ctypedef npy_intp intp_t * ctypedef npy_uintp uintp_t # <<<<<<<<<<<<<< * * ctypedef npy_double float_t */ typedef npy_uintp __pyx_t_5numpy_uintp_t; /* "numpy.pxd":758 * ctypedef npy_uintp uintp_t * * ctypedef npy_double float_t # <<<<<<<<<<<<<< * ctypedef npy_double double_t * ctypedef npy_longdouble longdouble_t */ typedef npy_double __pyx_t_5numpy_float_t; /* "numpy.pxd":759 * * ctypedef npy_double float_t * ctypedef npy_double double_t # <<<<<<<<<<<<<< * ctypedef npy_longdouble longdouble_t * */ typedef npy_double __pyx_t_5numpy_double_t; /* "numpy.pxd":760 * ctypedef npy_double float_t * ctypedef npy_double double_t * ctypedef npy_longdouble longdouble_t # <<<<<<<<<<<<<< * * ctypedef npy_cfloat cfloat_t */ typedef npy_longdouble __pyx_t_5numpy_longdouble_t; #if CYTHON_CCOMPLEX #ifdef __cplusplus typedef ::std::complex< float > __pyx_t_float_complex; #else typedef float _Complex __pyx_t_float_complex; #endif #else typedef struct { float real, imag; } __pyx_t_float_complex; #endif #if CYTHON_CCOMPLEX #ifdef __cplusplus typedef ::std::complex< double > __pyx_t_double_complex; #else typedef double _Complex __pyx_t_double_complex; #endif #else typedef struct { double real, imag; } __pyx_t_double_complex; #endif /*--- Type declarations ---*/ struct __pyx_memoryview_obj; struct __pyx_array_obj; struct __pyx_MemviewEnum_obj; struct __pyx_memoryviewslice_obj; /* "numpy.pxd":762 * ctypedef npy_longdouble longdouble_t * * ctypedef npy_cfloat cfloat_t # <<<<<<<<<<<<<< * ctypedef npy_cdouble cdouble_t * ctypedef npy_clongdouble clongdouble_t */ typedef npy_cfloat __pyx_t_5numpy_cfloat_t; /* "numpy.pxd":763 * * ctypedef npy_cfloat cfloat_t * ctypedef npy_cdouble cdouble_t # <<<<<<<<<<<<<< * ctypedef npy_clongdouble clongdouble_t * */ typedef npy_cdouble __pyx_t_5numpy_cdouble_t; /* "numpy.pxd":764 * ctypedef npy_cfloat cfloat_t * ctypedef npy_cdouble cdouble_t * ctypedef npy_clongdouble clongdouble_t # <<<<<<<<<<<<<< * * ctypedef npy_cdouble complex_t */ typedef npy_clongdouble __pyx_t_5numpy_clongdouble_t; /* "numpy.pxd":766 * ctypedef npy_clongdouble clongdouble_t * * ctypedef npy_cdouble complex_t # <<<<<<<<<<<<<< * * cdef inline object PyArray_MultiIterNew1(a): */ typedef npy_cdouble __pyx_t_5numpy_complex_t; /* "View.MemoryView":308 * * @cname('__pyx_memoryview') * cdef class memoryview(object): # <<<<<<<<<<<<<< * * cdef object obj */ struct __pyx_memoryview_obj { PyObject_HEAD struct __pyx_vtabstruct_memoryview *__pyx_vtab; PyObject *obj; PyObject *_size; PyObject *_array_interface; PyThread_type_lock lock; __pyx_atomic_int acquisition_count[2]; __pyx_atomic_int *acquisition_count_aligned_p; Py_buffer view; int flags; int dtype_is_object; __Pyx_TypeInfo *typeinfo; }; /* "View.MemoryView":96 * * @cname("__pyx_array") * cdef class array: # <<<<<<<<<<<<<< * * cdef: */ struct __pyx_array_obj { PyObject_HEAD char *data; Py_ssize_t len; char *format; int ndim; Py_ssize_t *_shape; Py_ssize_t *_strides; Py_ssize_t itemsize; PyObject *mode; PyObject *_format; void (*callback_free_data)(void *); int free_data; int dtype_is_object; }; /* "View.MemoryView":275 * * @cname('__pyx_MemviewEnum') * cdef class Enum(object): # <<<<<<<<<<<<<< * cdef object name * def __init__(self, name): */ struct __pyx_MemviewEnum_obj { PyObject_HEAD PyObject *name; }; /* "View.MemoryView":927 * * @cname('__pyx_memoryviewslice') * cdef class _memoryviewslice(memoryview): # <<<<<<<<<<<<<< * "Internal class for passing memoryview slices to Python" * */ struct __pyx_memoryviewslice_obj { struct __pyx_memoryview_obj __pyx_base; __Pyx_memviewslice from_slice; PyObject *from_object; PyObject *(*to_object_func)(char *); int (*to_dtype_func)(char *, PyObject *); }; /* "View.MemoryView":308 * * @cname('__pyx_memoryview') * cdef class memoryview(object): # <<<<<<<<<<<<<< * * cdef object obj */ struct __pyx_vtabstruct_memoryview { char *(*get_item_pointer)(struct __pyx_memoryview_obj *, PyObject *); PyObject *(*is_slice)(struct __pyx_memoryview_obj *, PyObject *); PyObject *(*setitem_slice_assignment)(struct __pyx_memoryview_obj *, PyObject *, PyObject *); PyObject *(*setitem_slice_assign_scalar)(struct __pyx_memoryview_obj *, struct __pyx_memoryview_obj *, PyObject *); PyObject *(*setitem_indexed)(struct __pyx_memoryview_obj *, PyObject *, PyObject *); PyObject *(*convert_item_to_object)(struct __pyx_memoryview_obj *, char *); PyObject *(*assign_item_from_object)(struct __pyx_memoryview_obj *, char *, PyObject *); }; static struct __pyx_vtabstruct_memoryview *__pyx_vtabptr_memoryview; /* "View.MemoryView":927 * * @cname('__pyx_memoryviewslice') * cdef class _memoryviewslice(memoryview): # <<<<<<<<<<<<<< * "Internal class for passing memoryview slices to Python" * */ struct __pyx_vtabstruct__memoryviewslice { struct __pyx_vtabstruct_memoryview __pyx_base; 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#include static int __Pyx_GetException(PyObject **type, PyObject **value, PyObject **tb); /*proto*/ static CYTHON_UNUSED int __pyx_memoryview_getbuffer(PyObject *__pyx_v_self, Py_buffer *__pyx_v_info, int __pyx_v_flags); /*proto*/ static PyObject *__pyx_memoryview_transpose(PyObject *__pyx_v_self); /*proto*/ static PyObject *__pyx_memoryview__get__base(PyObject *__pyx_v_self); /*proto*/ static PyObject *__pyx_memoryview_get_shape(PyObject *__pyx_v_self); /*proto*/ #if CYTHON_COMPILING_IN_CPYTHON static CYTHON_INLINE int __Pyx_ListComp_Append(PyObject* list, PyObject* x) { PyListObject* L = (PyListObject*) list; Py_ssize_t len = Py_SIZE(list); if (likely(L->allocated > len)) { Py_INCREF(x); PyList_SET_ITEM(list, len, x); Py_SIZE(list) = len+1; return 0; } return PyList_Append(list, x); } #else #define __Pyx_ListComp_Append(L,x) PyList_Append(L,x) #endif static PyObject *__pyx_memoryview_get_strides(PyObject *__pyx_v_self); /*proto*/ static PyObject *__pyx_memoryview_get_suboffsets(PyObject *__pyx_v_self); 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/*proto*/ static int __Pyx_SetVtable(PyObject *dict, void *vtable); /*proto*/ typedef struct { Py_ssize_t shape, strides, suboffsets; } __Pyx_Buf_DimInfo; typedef struct { size_t refcount; Py_buffer pybuffer; } __Pyx_Buffer; typedef struct { __Pyx_Buffer *rcbuffer; char *data; __Pyx_Buf_DimInfo diminfo[8]; } __Pyx_LocalBuf_ND; #if PY_MAJOR_VERSION < 3 static int __Pyx_GetBuffer(PyObject *obj, Py_buffer *view, int flags); static void __Pyx_ReleaseBuffer(Py_buffer *view); #else #define __Pyx_GetBuffer PyObject_GetBuffer #define __Pyx_ReleaseBuffer PyBuffer_Release #endif static Py_ssize_t __Pyx_zeros[] = {0, 0, 0, 0, 0, 0, 0, 0}; static Py_ssize_t __Pyx_minusones[] = {-1, -1, -1, -1, -1, -1, -1, -1}; static PyObject *__Pyx_Import(PyObject *name, PyObject *from_list, int level); /*proto*/ #if CYTHON_CCOMPLEX #ifdef __cplusplus #define __Pyx_CREAL(z) ((z).real()) #define __Pyx_CIMAG(z) ((z).imag()) #else #define __Pyx_CREAL(z) (__real__(z)) #define __Pyx_CIMAG(z) (__imag__(z)) #endif #else #define __Pyx_CREAL(z) ((z).real) #define __Pyx_CIMAG(z) ((z).imag) #endif #if defined(_WIN32) && defined(__cplusplus) && CYTHON_CCOMPLEX #define __Pyx_SET_CREAL(z,x) ((z).real(x)) #define __Pyx_SET_CIMAG(z,y) ((z).imag(y)) #else #define __Pyx_SET_CREAL(z,x) __Pyx_CREAL(z) = (x) #define __Pyx_SET_CIMAG(z,y) __Pyx_CIMAG(z) = (y) #endif static CYTHON_INLINE __pyx_t_float_complex __pyx_t_float_complex_from_parts(float, float); #if CYTHON_CCOMPLEX #define __Pyx_c_eqf(a, b) ((a)==(b)) #define __Pyx_c_sumf(a, b) ((a)+(b)) #define __Pyx_c_difff(a, b) ((a)-(b)) #define __Pyx_c_prodf(a, b) ((a)*(b)) #define __Pyx_c_quotf(a, b) ((a)/(b)) #define __Pyx_c_negf(a) (-(a)) #ifdef __cplusplus #define __Pyx_c_is_zerof(z) ((z)==(float)0) #define __Pyx_c_conjf(z) (::std::conj(z)) #if 1 #define __Pyx_c_absf(z) (::std::abs(z)) #define __Pyx_c_powf(a, b) (::std::pow(a, b)) #endif #else #define __Pyx_c_is_zerof(z) ((z)==0) #define __Pyx_c_conjf(z) (conjf(z)) #if 1 #define __Pyx_c_absf(z) (cabsf(z)) #define __Pyx_c_powf(a, b) (cpowf(a, b)) #endif #endif #else static CYTHON_INLINE int __Pyx_c_eqf(__pyx_t_float_complex, __pyx_t_float_complex); static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_sumf(__pyx_t_float_complex, __pyx_t_float_complex); static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_difff(__pyx_t_float_complex, __pyx_t_float_complex); static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_prodf(__pyx_t_float_complex, __pyx_t_float_complex); static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_quotf(__pyx_t_float_complex, __pyx_t_float_complex); static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_negf(__pyx_t_float_complex); static CYTHON_INLINE int __Pyx_c_is_zerof(__pyx_t_float_complex); static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_conjf(__pyx_t_float_complex); #if 1 static CYTHON_INLINE float __Pyx_c_absf(__pyx_t_float_complex); static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_powf(__pyx_t_float_complex, __pyx_t_float_complex); #endif #endif static CYTHON_INLINE __pyx_t_double_complex __pyx_t_double_complex_from_parts(double, double); #if CYTHON_CCOMPLEX #define __Pyx_c_eq(a, b) ((a)==(b)) #define __Pyx_c_sum(a, b) ((a)+(b)) #define __Pyx_c_diff(a, b) ((a)-(b)) #define __Pyx_c_prod(a, b) ((a)*(b)) #define __Pyx_c_quot(a, b) ((a)/(b)) #define __Pyx_c_neg(a) (-(a)) #ifdef __cplusplus #define __Pyx_c_is_zero(z) ((z)==(double)0) #define __Pyx_c_conj(z) (::std::conj(z)) #if 1 #define __Pyx_c_abs(z) (::std::abs(z)) #define __Pyx_c_pow(a, b) (::std::pow(a, b)) #endif #else #define __Pyx_c_is_zero(z) ((z)==0) #define __Pyx_c_conj(z) (conj(z)) #if 1 #define __Pyx_c_abs(z) (cabs(z)) #define __Pyx_c_pow(a, b) (cpow(a, b)) #endif #endif #else static CYTHON_INLINE int __Pyx_c_eq(__pyx_t_double_complex, __pyx_t_double_complex); static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_sum(__pyx_t_double_complex, __pyx_t_double_complex); static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_diff(__pyx_t_double_complex, __pyx_t_double_complex); static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_prod(__pyx_t_double_complex, __pyx_t_double_complex); static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_quot(__pyx_t_double_complex, __pyx_t_double_complex); static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_neg(__pyx_t_double_complex); static CYTHON_INLINE int __Pyx_c_is_zero(__pyx_t_double_complex); static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_conj(__pyx_t_double_complex); #if 1 static CYTHON_INLINE double __Pyx_c_abs(__pyx_t_double_complex); static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_pow(__pyx_t_double_complex, __pyx_t_double_complex); #endif #endif static int __pyx_memviewslice_is_contig(const __Pyx_memviewslice *mvs, char order, int ndim); static int __pyx_slices_overlap(__Pyx_memviewslice *slice1, __Pyx_memviewslice *slice2, int ndim, size_t itemsize); static __Pyx_memviewslice __pyx_memoryview_copy_new_contig(const __Pyx_memviewslice *from_mvs, const char *mode, int ndim, size_t sizeof_dtype, int contig_flag, int dtype_is_object); static CYTHON_INLINE PyObject *__pyx_capsule_create(void *p, const char *sig); static CYTHON_INLINE void __Pyx_ExceptionSave(PyObject **type, PyObject **value, PyObject **tb); /*proto*/ static void __Pyx_ExceptionReset(PyObject *type, PyObject *value, PyObject *tb); /*proto*/ static CYTHON_INLINE unsigned char __Pyx_PyInt_AsUnsignedChar(PyObject *); static CYTHON_INLINE unsigned short __Pyx_PyInt_AsUnsignedShort(PyObject *); static CYTHON_INLINE unsigned int __Pyx_PyInt_AsUnsignedInt(PyObject *); static CYTHON_INLINE char __Pyx_PyInt_AsChar(PyObject *); static CYTHON_INLINE short __Pyx_PyInt_AsShort(PyObject *); static CYTHON_INLINE int __Pyx_PyInt_AsInt(PyObject *); static CYTHON_INLINE signed char __Pyx_PyInt_AsSignedChar(PyObject *); static CYTHON_INLINE signed short __Pyx_PyInt_AsSignedShort(PyObject *); static CYTHON_INLINE signed int __Pyx_PyInt_AsSignedInt(PyObject *); static CYTHON_INLINE int __Pyx_PyInt_AsLongDouble(PyObject *); static CYTHON_INLINE unsigned long __Pyx_PyInt_AsUnsignedLong(PyObject *); static CYTHON_INLINE unsigned PY_LONG_LONG __Pyx_PyInt_AsUnsignedLongLong(PyObject *); static CYTHON_INLINE long __Pyx_PyInt_AsLong(PyObject *); static CYTHON_INLINE PY_LONG_LONG __Pyx_PyInt_AsLongLong(PyObject *); static CYTHON_INLINE signed long __Pyx_PyInt_AsSignedLong(PyObject *); static CYTHON_INLINE signed PY_LONG_LONG __Pyx_PyInt_AsSignedLongLong(PyObject *); static int __pyx_typeinfo_cmp(__Pyx_TypeInfo *a, __Pyx_TypeInfo *b); static int __Pyx_ValidateAndInit_memviewslice( int *axes_specs, int c_or_f_flag, int buf_flags, int ndim, __Pyx_TypeInfo *dtype, __Pyx_BufFmt_StackElem stack[], __Pyx_memviewslice *memviewslice, PyObject *original_obj); static CYTHON_INLINE __Pyx_memviewslice __Pyx_PyObject_to_MemoryviewSlice_ds_nn_coordT(PyObject *); static CYTHON_INLINE __Pyx_memviewslice __Pyx_PyObject_to_MemoryviewSlice_ds_unsigned_int(PyObject *); static int __Pyx_check_binary_version(void); #if !defined(__Pyx_PyIdentifier_FromString) #if PY_MAJOR_VERSION < 3 #define __Pyx_PyIdentifier_FromString(s) PyString_FromString(s) #else #define __Pyx_PyIdentifier_FromString(s) PyUnicode_FromString(s) #endif #endif static PyObject *__Pyx_ImportModule(const char *name); /*proto*/ static PyTypeObject *__Pyx_ImportType(const char *module_name, const char *class_name, size_t size, int strict); /*proto*/ typedef struct { int code_line; PyCodeObject* code_object; } __Pyx_CodeObjectCacheEntry; struct __Pyx_CodeObjectCache { int count; int max_count; __Pyx_CodeObjectCacheEntry* entries; }; static struct __Pyx_CodeObjectCache __pyx_code_cache = {0,0,NULL}; static int __pyx_bisect_code_objects(__Pyx_CodeObjectCacheEntry* entries, int count, int code_line); static PyCodeObject *__pyx_find_code_object(int code_line); static void __pyx_insert_code_object(int code_line, PyCodeObject* code_object); static void __Pyx_AddTraceback(const char *funcname, int c_line, int py_line, const char *filename); /*proto*/ static int __Pyx_InitStrings(__Pyx_StringTabEntry *t); /*proto*/ /* Module declarations from 'cython.view' */ /* Module declarations from 'cython' */ /* Module declarations from 'cpython.buffer' */ /* Module declarations from 'cpython.ref' */ /* Module declarations from 'libc.string' */ /* Module declarations from 'libc.stdio' */ /* Module declarations from 'cpython.object' */ /* Module declarations from '__builtin__' */ /* Module declarations from 'cpython.type' */ static PyTypeObject *__pyx_ptype_7cpython_4type_type = 0; /* Module declarations from 'libc.stdlib' */ /* Module declarations from 'numpy' */ /* Module declarations from 'numpy' */ static PyTypeObject *__pyx_ptype_5numpy_dtype = 0; static PyTypeObject *__pyx_ptype_5numpy_flatiter = 0; static PyTypeObject *__pyx_ptype_5numpy_broadcast = 0; static PyTypeObject *__pyx_ptype_5numpy_ndarray = 0; static PyTypeObject *__pyx_ptype_5numpy_ufunc = 0; static CYTHON_INLINE char *__pyx_f_5numpy__util_dtypestring(PyArray_Descr *, char *, char *, int *); /*proto*/ /* Module declarations from 'qhull' */ /* Module declarations from '_qhull64' */ static PyTypeObject *__pyx_memoryview_type = 0; static PyTypeObject *__pyx_array_type = 0; static PyTypeObject *__pyx_MemviewEnum_type = 0; static PyTypeObject *__pyx_memoryviewslice_type = 0; static PyObject *generic = 0; static PyObject *strided = 0; static PyObject *indirect = 0; static PyObject *contiguous = 0; static PyObject *indirect_contiguous = 0; static unsigned int __pyx_f_8_qhull64_nbDelaunayFacets(void); /*proto*/ static void __pyx_f_8_qhull64_setDelaunayIndices(__Pyx_memviewslice); /*proto*/ static struct __pyx_array_obj *__pyx_array_new(PyObject *, Py_ssize_t, char *, char *, char *); /*proto*/ static void *__pyx_align_pointer(void *, size_t); /*proto*/ static PyObject *__pyx_memoryview_new(PyObject *, int, int, __Pyx_TypeInfo *); /*proto*/ static CYTHON_INLINE int __pyx_memoryview_check(PyObject *); /*proto*/ static PyObject *_unellipsify(PyObject *, int); /*proto*/ static PyObject *assert_direct_dimensions(Py_ssize_t *, int); /*proto*/ static struct __pyx_memoryview_obj *__pyx_memview_slice(struct __pyx_memoryview_obj *, PyObject *); /*proto*/ static int __pyx_memoryview_slice_memviewslice(__Pyx_memviewslice *, Py_ssize_t, Py_ssize_t, Py_ssize_t, int, int, int *, Py_ssize_t, Py_ssize_t, Py_ssize_t, int, int, int, int); /*proto*/ static char *__pyx_pybuffer_index(Py_buffer *, char *, Py_ssize_t, int); /*proto*/ static int __pyx_memslice_transpose(__Pyx_memviewslice *); /*proto*/ static PyObject *__pyx_memoryview_fromslice(__Pyx_memviewslice, int, PyObject *(*)(char *), int (*)(char *, PyObject *), int); /*proto*/ static __Pyx_memviewslice *__pyx_memoryview_get_slice_from_memoryview(struct __pyx_memoryview_obj *, __Pyx_memviewslice *); /*proto*/ static void __pyx_memoryview_slice_copy(struct __pyx_memoryview_obj *, __Pyx_memviewslice *); /*proto*/ static PyObject *__pyx_memoryview_copy_object(struct __pyx_memoryview_obj *); /*proto*/ static PyObject *__pyx_memoryview_copy_object_from_slice(struct __pyx_memoryview_obj *, __Pyx_memviewslice *); /*proto*/ static Py_ssize_t abs_py_ssize_t(Py_ssize_t); /*proto*/ static char __pyx_get_best_slice_order(__Pyx_memviewslice *, int); /*proto*/ static void _copy_strided_to_strided(char *, Py_ssize_t *, char *, Py_ssize_t *, Py_ssize_t *, Py_ssize_t *, int, size_t); /*proto*/ static void copy_strided_to_strided(__Pyx_memviewslice *, __Pyx_memviewslice *, int, size_t); /*proto*/ static Py_ssize_t __pyx_memoryview_slice_get_size(__Pyx_memviewslice *, int); /*proto*/ static Py_ssize_t __pyx_fill_contig_strides_array(Py_ssize_t *, Py_ssize_t *, Py_ssize_t, int, char); /*proto*/ static void *__pyx_memoryview_copy_data_to_temp(__Pyx_memviewslice *, __Pyx_memviewslice *, char, int); /*proto*/ static int __pyx_memoryview_err_extents(int, Py_ssize_t, Py_ssize_t); /*proto*/ static int __pyx_memoryview_err_dim(PyObject *, char *, int); /*proto*/ static int __pyx_memoryview_err(PyObject *, char *); /*proto*/ static int __pyx_memoryview_copy_contents(__Pyx_memviewslice, __Pyx_memviewslice, int, int, int); /*proto*/ static void __pyx_memoryview_broadcast_leading(__Pyx_memviewslice *, int, int); /*proto*/ static void __pyx_memoryview_refcount_copying(__Pyx_memviewslice *, int, int, int); /*proto*/ static void __pyx_memoryview_refcount_objects_in_slice_with_gil(char *, Py_ssize_t *, Py_ssize_t *, int, int); /*proto*/ static void __pyx_memoryview_refcount_objects_in_slice(char *, Py_ssize_t *, Py_ssize_t *, int, int); /*proto*/ static void __pyx_memoryview_slice_assign_scalar(__Pyx_memviewslice *, int, size_t, void *, int); /*proto*/ static void __pyx_memoryview__slice_assign_scalar(char *, Py_ssize_t *, Py_ssize_t *, int, size_t, void *); /*proto*/ static __Pyx_TypeInfo __Pyx_TypeInfo_nn_realT = { "realT", NULL, sizeof(realT), { 0 }, 0, 'R', 0, 0 }; static __Pyx_TypeInfo __Pyx_TypeInfo_nn_coordT = { "coordT", NULL, sizeof(coordT), { 0 }, 0, 'R', 0, 0 }; static __Pyx_TypeInfo __Pyx_TypeInfo_unsigned_int = { "unsigned int", NULL, sizeof(unsigned int), { 0 }, 0, IS_UNSIGNED(unsigned int) ? 'U' : 'I', IS_UNSIGNED(unsigned int), 0 }; #define __Pyx_MODULE_NAME "_qhull64" int __pyx_module_is_main__qhull64 = 0; /* Implementation of '_qhull64' */ static PyObject *__pyx_builtin_RuntimeError; static PyObject *__pyx_builtin_ArithmeticError; static PyObject *__pyx_builtin_MemoryError; static PyObject *__pyx_builtin_range; static PyObject *__pyx_builtin_ValueError; static PyObject *__pyx_builtin_enumerate; static PyObject *__pyx_builtin_Ellipsis; static PyObject *__pyx_builtin_TypeError; static PyObject *__pyx_builtin_xrange; static PyObject *__pyx_builtin_id; static PyObject *__pyx_builtin_IndexError; static PyObject *__pyx_pf_8_qhull64_delaunay(CYTHON_UNUSED PyObject *__pyx_self, PyArrayObject *__pyx_v_points, PyObject *__pyx_v_command); /* proto */ static int __pyx_pf_5numpy_7ndarray___getbuffer__(PyArrayObject *__pyx_v_self, Py_buffer *__pyx_v_info, int __pyx_v_flags); /* proto */ static void __pyx_pf_5numpy_7ndarray_2__releasebuffer__(PyArrayObject *__pyx_v_self, Py_buffer *__pyx_v_info); /* proto */ static int __pyx_array_MemoryView_5array___cinit__(struct __pyx_array_obj *__pyx_v_self, PyObject *__pyx_v_shape, Py_ssize_t __pyx_v_itemsize, PyObject *__pyx_v_format, PyObject *__pyx_v_mode, int __pyx_v_allocate_buffer); /* proto */ static int __pyx_array_getbuffer_MemoryView_5array_2__getbuffer__(struct __pyx_array_obj *__pyx_v_self, Py_buffer *__pyx_v_info, int __pyx_v_flags); /* proto */ static void __pyx_array_MemoryView_5array_4__dealloc__(struct __pyx_array_obj *__pyx_v_self); /* proto */ static PyObject *get_memview_MemoryView_5array_7memview___get__(struct __pyx_array_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_array_MemoryView_5array_6__getattr__(struct __pyx_array_obj *__pyx_v_self, PyObject *__pyx_v_attr); /* proto */ static PyObject *__pyx_array_MemoryView_5array_8__getitem__(struct __pyx_array_obj *__pyx_v_self, PyObject *__pyx_v_item); /* proto */ static int __pyx_array_MemoryView_5array_10__setitem__(struct __pyx_array_obj *__pyx_v_self, PyObject *__pyx_v_item, PyObject *__pyx_v_value); /* proto */ static int __pyx_MemviewEnum_MemoryView_4Enum___init__(struct __pyx_MemviewEnum_obj *__pyx_v_self, PyObject *__pyx_v_name); /* proto */ static PyObject *__pyx_MemviewEnum_MemoryView_4Enum_2__repr__(struct __pyx_MemviewEnum_obj *__pyx_v_self); /* proto */ static int __pyx_memoryview_MemoryView_10memoryview___cinit__(struct __pyx_memoryview_obj *__pyx_v_self, PyObject *__pyx_v_obj, int __pyx_v_flags, int __pyx_v_dtype_is_object); /* proto */ static void __pyx_memoryview_MemoryView_10memoryview_2__dealloc__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_MemoryView_10memoryview_4__getitem__(struct __pyx_memoryview_obj *__pyx_v_self, PyObject *__pyx_v_index); /* proto */ static int __pyx_memoryview_MemoryView_10memoryview_6__setitem__(struct __pyx_memoryview_obj *__pyx_v_self, PyObject *__pyx_v_index, PyObject *__pyx_v_value); /* proto */ static int __pyx_memoryview_getbuffer_MemoryView_10memoryview_8__getbuffer__(struct __pyx_memoryview_obj *__pyx_v_self, Py_buffer *__pyx_v_info, int __pyx_v_flags); /* proto */ static PyObject *__pyx_memoryview_transpose_MemoryView_10memoryview_1T___get__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview__get__base_MemoryView_10memoryview_4base___get__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_get_shape_MemoryView_10memoryview_5shape___get__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_get_strides_MemoryView_10memoryview_7strides___get__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_get_suboffsets_MemoryView_10memoryview_10suboffsets___get__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_get_ndim_MemoryView_10memoryview_4ndim___get__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_get_itemsize_MemoryView_10memoryview_8itemsize___get__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_get_nbytes_MemoryView_10memoryview_6nbytes___get__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_get_size_MemoryView_10memoryview_4size___get__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static Py_ssize_t __pyx_memoryview_MemoryView_10memoryview_10__len__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_MemoryView_10memoryview_12__repr__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_MemoryView_10memoryview_14__str__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_MemoryView_10memoryview_16is_c_contig(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_MemoryView_10memoryview_18is_f_contig(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_MemoryView_10memoryview_20copy(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryview_MemoryView_10memoryview_22copy_fortran(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ static void __pyx_memoryviewslice_MemoryView_16_memoryviewslice___dealloc__(struct __pyx_memoryviewslice_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_memoryviewslice__get__base_MemoryView_16_memoryviewslice_4base___get__(struct __pyx_memoryviewslice_obj *__pyx_v_self); /* proto */ static PyObject *__pyx_tp_new_memoryview(PyTypeObject *t, PyObject *a, PyObject *k); /*proto*/ static PyObject *__pyx_tp_new_array(PyTypeObject *t, PyObject *a, PyObject *k); /*proto*/ static PyObject *__pyx_tp_new_Enum(PyTypeObject *t, PyObject *a, PyObject *k); /*proto*/ static PyObject *__pyx_tp_new__memoryviewslice(PyTypeObject *t, PyObject *a, PyObject *k); /*proto*/ static char __pyx_k_2[] = "ndarray is not C contiguous"; static char __pyx_k_4[] = "ndarray is not Fortran contiguous"; static char __pyx_k_6[] = "Non-native byte order not supported"; static char __pyx_k_8[] = "unknown dtype code in numpy.pxd (%d)"; static char __pyx_k_9[] = "Format string allocated too short, see comment in numpy.pxd"; static char __pyx_k_12[] = "Format string allocated too short."; static char __pyx_k_14[] = "Empty shape tuple for cython.array"; static char __pyx_k_16[] = "itemsize <= 0 for cython.array"; static char __pyx_k_19[] = "unable to allocate shape or strides."; static char __pyx_k_21[] = "Invalid shape in axis %d: %d."; static char __pyx_k_22[] = "Invalid mode, expected 'c' or 'fortran', got %s"; static char __pyx_k_24[] = "unable to allocate array data."; static char __pyx_k_26[] = "Can only create a buffer that is contiguous in memory."; static char __pyx_k_28[] = "Unable to convert item to object"; static char __pyx_k_30[] = "Buffer view does not expose strides"; static char __pyx_k_32[] = ""; static char __pyx_k_33[] = ""; static char __pyx_k_36[] = "Cannot index with type '%s'"; static char __pyx_k_38[] = "Indirect dimensions not supported"; static char __pyx_k_40[] = "Index out of bounds (axis %d)"; static char __pyx_k_41[] = "Step may not be zero (axis %d)"; static char __pyx_k_42[] = "All dimensions preceding dimension %d must be indexed and not sliced"; static char __pyx_k_43[] = "Out of bounds on buffer access (axis %d)"; static char __pyx_k_44[] = "Cannot transpose memoryview with indirect dimensions"; static char __pyx_k_45[] = "got differing extents in dimension %d (got %d and %d)"; static char __pyx_k_46[] = "Dimension %d is not direct"; static char __pyx_k_47[] = "qhull input inconsistency"; static char __pyx_k_49[] = "qhull singluar input data"; static char __pyx_k_51[] = "qhull precision error"; static char __pyx_k_53[] = "qhull insufficient memory"; static char __pyx_k_55[] = "qhull internal error"; static char __pyx_k_59[] = "/users/tvincent/src/pymca/PyMca5/Object3D/Object3DQhull/_qhull/qhull.pxi"; static char __pyx_k_60[] = "getbuffer(obj, view, flags)"; static char __pyx_k_61[] = ""; static char __pyx_k_63[] = ""; static char __pyx_k_65[] = ""; static char __pyx_k_67[] = ""; static char __pyx_k_69[] = ""; static char __pyx_k__B[] = "B"; static char __pyx_k__H[] = "H"; static char __pyx_k__I[] = "I"; static char __pyx_k__L[] = "L"; 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static PyObject *__pyx_k_tuple_62; static PyObject *__pyx_k_tuple_64; static PyObject *__pyx_k_tuple_66; static PyObject *__pyx_k_tuple_68; static PyObject *__pyx_k_tuple_70; static PyObject *__pyx_k_codeobj_58; /* "/users/tvincent/src/pymca/PyMca5/Object3D/Object3DQhull/_qhull/qhull.pxi":64 * * * cdef unsigned int nbDelaunayFacets(): # <<<<<<<<<<<<<< * # Corresponding C code: * # unsigned int get_num_delaunay_facets(void) { */ static unsigned int __pyx_f_8_qhull64_nbDelaunayFacets(void) { facetT *__pyx_v_facet; unsigned int __pyx_v_nbFacets; unsigned int __pyx_r; __Pyx_RefNannyDeclarations facetT *__pyx_t_1; int __pyx_t_2; int __pyx_t_3; int __pyx_t_4; __Pyx_RefNannySetupContext("nbDelaunayFacets", 0); /* "/users/tvincent/src/pymca/PyMca5/Object3D/Object3DQhull/_qhull/qhull.pxi":77 * # } * cdef _qhull.facetT * facet * cdef unsigned int nbFacets = 0 # <<<<<<<<<<<<<< * * # FORALLfacets */ __pyx_v_nbFacets = 0; /* "/users/tvincent/src/pymca/PyMca5/Object3D/Object3DQhull/_qhull/qhull.pxi":80 * * # FORALLfacets * facet = _qhull.qh_qh.facet_list # <<<<<<<<<<<<<< * while facet != NULL and facet.next != NULL: * if not facet.upperdelaunay: */ __pyx_t_1 = qh_qh.facet_list; __pyx_v_facet = __pyx_t_1; /* "/users/tvincent/src/pymca/PyMca5/Object3D/Object3DQhull/_qhull/qhull.pxi":81 * # FORALLfacets * facet = _qhull.qh_qh.facet_list * while facet != NULL and facet.next != NULL: # <<<<<<<<<<<<<< * if not facet.upperdelaunay: * nbFacets += 1 */ while (1) { __pyx_t_2 = ((__pyx_v_facet != NULL) != 0); if (__pyx_t_2) { __pyx_t_3 = ((__pyx_v_facet->next != NULL) != 0); __pyx_t_4 = __pyx_t_3; } else { __pyx_t_4 = __pyx_t_2; } if (!__pyx_t_4) break; /* "/users/tvincent/src/pymca/PyMca5/Object3D/Object3DQhull/_qhull/qhull.pxi":82 * facet = _qhull.qh_qh.facet_list * while facet != NULL and facet.next != NULL: * if not facet.upperdelaunay: # <<<<<<<<<<<<<< * nbFacets += 1 * facet = facet.next */ __pyx_t_4 = ((!(__pyx_v_facet->upperdelaunay != 0)) != 0); if (__pyx_t_4) { /* "/users/tvincent/src/pymca/PyMca5/Object3D/Object3DQhull/_qhull/qhull.pxi":83 * while facet != NULL and facet.next != NULL: * if not facet.upperdelaunay: * nbFacets += 1 # <<<<<<<<<<<<<< * facet = facet.next * */ __pyx_v_nbFacets = (__pyx_v_nbFacets + 1); 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for (__pyx_t_6 = 0; __pyx_t_6 < __pyx_t_5; __pyx_t_6+=1) { __pyx_v_setIndex = __pyx_t_6; /* "/users/tvincent/src/pymca/PyMca5/Object3D/Object3DQhull/_qhull/qhull.pxi":116 * if facet.vertices != NULL: * for setIndex in range(facet.vertices.maxsize): * vertex = <_qhull.vertexT *>(facet.vertices.e[setIndex].p) # <<<<<<<<<<<<<< * if vertex == NULL: * break */ __pyx_v_vertex = ((vertexT *)(__pyx_v_facet->vertices->e[__pyx_v_setIndex]).p); /* "/users/tvincent/src/pymca/PyMca5/Object3D/Object3DQhull/_qhull/qhull.pxi":117 * for setIndex in range(facet.vertices.maxsize): * vertex = <_qhull.vertexT *>(facet.vertices.e[setIndex].p) * if vertex == NULL: # <<<<<<<<<<<<<< * break * c_indices[indicesIndex] = _qhull.qh_pointid(vertex.point) */ __pyx_t_4 = ((__pyx_v_vertex == NULL) != 0); if (__pyx_t_4) { /* "/users/tvincent/src/pymca/PyMca5/Object3D/Object3DQhull/_qhull/qhull.pxi":118 * vertex = <_qhull.vertexT *>(facet.vertices.e[setIndex].p) * if vertex == NULL: * break # <<<<<<<<<<<<<< * c_indices[indicesIndex] = _qhull.qh_pointid(vertex.point) * indicesIndex += 1 */ goto __pyx_L8_break; 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__pyx_t_2 = ((!(__pyx_t_1 != 0)) != 0); if (__pyx_t_2) { /* "View.MemoryView":794 * start += shape * if not 0 <= start < shape: * _err_dim(IndexError, "Index out of bounds (axis %d)", dim) # <<<<<<<<<<<<<< * else: * */ __pyx_t_3 = __pyx_memoryview_err_dim(__pyx_builtin_IndexError, __pyx_k_40, __pyx_v_dim); if (unlikely(__pyx_t_3 == -1)) {__pyx_filename = __pyx_f[2]; __pyx_lineno = 794; __pyx_clineno = __LINE__; goto __pyx_L1_error;} goto __pyx_L5; } __pyx_L5:; goto __pyx_L3; } /*else*/ { /* "View.MemoryView":797 * else: * * negative_step = have_step != 0 and step < 0 # <<<<<<<<<<<<<< * * if have_step and step == 0: */ __pyx_t_2 = (__pyx_v_have_step != 0); if (__pyx_t_2) { __pyx_t_1 = (__pyx_v_step < 0); __pyx_t_4 = __pyx_t_1; } else { __pyx_t_4 = __pyx_t_2; } __pyx_v_negative_step = __pyx_t_4; /* "View.MemoryView":799 * negative_step = have_step != 0 and step < 0 * * if have_step and step == 0: # <<<<<<<<<<<<<< * _err_dim(ValueError, "Step may not be zero (axis %d)", dim) * */ if 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__pyx_v_start = (__pyx_v_start + __pyx_v_shape); /* "View.MemoryView":806 * if start < 0: * start += shape * if start < 0: # <<<<<<<<<<<<<< * start = 0 * elif start >= shape: */ __pyx_t_2 = ((__pyx_v_start < 0) != 0); if (__pyx_t_2) { /* "View.MemoryView":807 * start += shape * if start < 0: * start = 0 # <<<<<<<<<<<<<< * elif start >= shape: * if negative_step: */ __pyx_v_start = 0; goto __pyx_L9; } __pyx_L9:; goto __pyx_L8; } /* "View.MemoryView":808 * if start < 0: * start = 0 * elif start >= shape: # <<<<<<<<<<<<<< * if negative_step: * start = shape - 1 */ __pyx_t_2 = ((__pyx_v_start >= __pyx_v_shape) != 0); if (__pyx_t_2) { /* "View.MemoryView":809 * start = 0 * elif start >= shape: * if negative_step: # <<<<<<<<<<<<<< * start = shape - 1 * else: */ __pyx_t_2 = (__pyx_v_negative_step != 0); if (__pyx_t_2) { /* "View.MemoryView":810 * elif start >= shape: * if negative_step: * start = shape - 1 # <<<<<<<<<<<<<< * else: * start = shape */ __pyx_v_start = (__pyx_v_shape - 1); goto 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if stop < 0: */ __pyx_t_2 = ((__pyx_v_stop < 0) != 0); if (__pyx_t_2) { /* "View.MemoryView":821 * if have_stop: * if stop < 0: * stop += shape # <<<<<<<<<<<<<< * if stop < 0: * stop = 0 */ __pyx_v_stop = (__pyx_v_stop + __pyx_v_shape); /* "View.MemoryView":822 * if stop < 0: * stop += shape * if stop < 0: # <<<<<<<<<<<<<< * stop = 0 * elif stop > shape: */ __pyx_t_2 = ((__pyx_v_stop < 0) != 0); if (__pyx_t_2) { /* "View.MemoryView":823 * stop += shape * if stop < 0: * stop = 0 # <<<<<<<<<<<<<< * elif stop > shape: * stop = shape */ __pyx_v_stop = 0; goto __pyx_L14; } __pyx_L14:; goto __pyx_L13; } /* "View.MemoryView":824 * if stop < 0: * stop = 0 * elif stop > shape: # <<<<<<<<<<<<<< * stop = shape * else: */ __pyx_t_2 = ((__pyx_v_stop > __pyx_v_shape) != 0); if (__pyx_t_2) { /* "View.MemoryView":825 * stop = 0 * elif stop > shape: * stop = shape # <<<<<<<<<<<<<< * else: * if negative_step: */ __pyx_v_stop = __pyx_v_shape; goto __pyx_L13; } __pyx_L13:; goto __pyx_L12; } /*else*/ { /* "View.MemoryView":827 * stop = shape * else: * if negative_step: # <<<<<<<<<<<<<< * stop = -1 * else: */ __pyx_t_2 = (__pyx_v_negative_step != 0); if (__pyx_t_2) { /* "View.MemoryView":828 * else: * if negative_step: * stop = -1 # <<<<<<<<<<<<<< * else: * stop = shape */ __pyx_v_stop = -1; goto __pyx_L15; } /*else*/ { /* "View.MemoryView":830 * stop = -1 * else: * stop = shape # <<<<<<<<<<<<<< * * if not have_step: */ __pyx_v_stop = __pyx_v_shape; } __pyx_L15:; } __pyx_L12:; /* "View.MemoryView":832 * stop = shape * * if not have_step: # <<<<<<<<<<<<<< * step = 1 * */ __pyx_t_2 = ((!(__pyx_v_have_step != 0)) != 0); if (__pyx_t_2) { /* "View.MemoryView":833 * * if not have_step: * step = 1 # <<<<<<<<<<<<<< * * */ __pyx_v_step = 1; goto __pyx_L16; } __pyx_L16:; /* "View.MemoryView":837 * * with cython.cdivision(True): * new_shape = (stop - start) // step # <<<<<<<<<<<<<< * * if (stop - start) - step * new_shape: */ __pyx_v_new_shape = ((__pyx_v_stop - __pyx_v_start) / __pyx_v_step); /* 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"View.MemoryView":847 * * dst.strides[new_ndim] = stride * step * dst.shape[new_ndim] = new_shape # <<<<<<<<<<<<<< * dst.suboffsets[new_ndim] = suboffset * */ (__pyx_v_dst->shape[__pyx_v_new_ndim]) = __pyx_v_new_shape; /* "View.MemoryView":848 * dst.strides[new_ndim] = stride * step * dst.shape[new_ndim] = new_shape * dst.suboffsets[new_ndim] = suboffset # <<<<<<<<<<<<<< * * */ (__pyx_v_dst->suboffsets[__pyx_v_new_ndim]) = __pyx_v_suboffset; } __pyx_L3:; /* "View.MemoryView":851 * * * if suboffset_dim[0] < 0: # <<<<<<<<<<<<<< * dst.data += start * stride * else: */ __pyx_t_2 = (((__pyx_v_suboffset_dim[0]) < 0) != 0); if (__pyx_t_2) { /* "View.MemoryView":852 * * if suboffset_dim[0] < 0: * dst.data += start * stride # <<<<<<<<<<<<<< * else: * dst.suboffsets[suboffset_dim[0]] += start * stride */ __pyx_v_dst->data = (__pyx_v_dst->data + (__pyx_v_start * __pyx_v_stride)); goto __pyx_L19; } /*else*/ { /* "View.MemoryView":854 * dst.data += start * stride * else: * dst.suboffsets[suboffset_dim[0]] += start * stride # <<<<<<<<<<<<<< * * if suboffset >= 0: */ __pyx_t_3 = (__pyx_v_suboffset_dim[0]); (__pyx_v_dst->suboffsets[__pyx_t_3]) = ((__pyx_v_dst->suboffsets[__pyx_t_3]) + (__pyx_v_start * __pyx_v_stride)); } __pyx_L19:; /* "View.MemoryView":856 * dst.suboffsets[suboffset_dim[0]] += start * stride * * if suboffset >= 0: # <<<<<<<<<<<<<< * if not is_slice: * if new_ndim == 0: */ __pyx_t_2 = ((__pyx_v_suboffset >= 0) != 0); if (__pyx_t_2) { /* "View.MemoryView":857 * * if suboffset >= 0: * if not is_slice: # <<<<<<<<<<<<<< * if new_ndim == 0: * dst.data = ( dst.data)[0] + suboffset */ __pyx_t_2 = ((!(__pyx_v_is_slice != 0)) != 0); if (__pyx_t_2) { /* "View.MemoryView":858 * if suboffset >= 0: * if not is_slice: * if new_ndim == 0: # <<<<<<<<<<<<<< * dst.data = ( dst.data)[0] + suboffset * else: */ __pyx_t_2 = ((__pyx_v_new_ndim == 0) != 0); if (__pyx_t_2) { /* "View.MemoryView":859 * if not is_slice: * if new_ndim == 0: * dst.data = ( dst.data)[0] 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__Pyx_GOTREF(((PyObject *)__pyx_t_3)); __Pyx_DECREF(__pyx_t_4); __pyx_t_4 = 0; __pyx_t_4 = PyTuple_New(1); if (unlikely(!__pyx_t_4)) {__pyx_filename = __pyx_f[2]; __pyx_lineno = 893; __pyx_clineno = __LINE__; goto __pyx_L1_error;} __Pyx_GOTREF(__pyx_t_4); PyTuple_SET_ITEM(__pyx_t_4, 0, ((PyObject *)__pyx_t_3)); __Pyx_GIVEREF(((PyObject *)__pyx_t_3)); __pyx_t_3 = 0; __pyx_t_3 = PyObject_Call(__pyx_builtin_IndexError, ((PyObject *)__pyx_t_4), NULL); if (unlikely(!__pyx_t_3)) {__pyx_filename = __pyx_f[2]; __pyx_lineno = 893; __pyx_clineno = __LINE__; goto __pyx_L1_error;} __Pyx_GOTREF(__pyx_t_3); __Pyx_DECREF(((PyObject *)__pyx_t_4)); __pyx_t_4 = 0; __Pyx_Raise(__pyx_t_3, 0, 0, 0); __Pyx_DECREF(__pyx_t_3); __pyx_t_3 = 0; {__pyx_filename = __pyx_f[2]; __pyx_lineno = 893; __pyx_clineno = __LINE__; goto __pyx_L1_error;} goto __pyx_L7; } __pyx_L7:; /* "View.MemoryView":895 * raise IndexError("Out of bounds on buffer access (axis %d)" % dim) * * resultp = bufp + index * stride # <<<<<<<<<<<<<< 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__pyx_f[2]; __pyx_lineno = 1059; __pyx_clineno = __LINE__; goto __pyx_L1_error;} __Pyx_GOTREF(__pyx_t_5); __pyx_r = __pyx_t_5; __pyx_t_5 = 0; goto __pyx_L0; __pyx_r = Py_None; __Pyx_INCREF(Py_None); goto __pyx_L0; __pyx_L1_error:; __Pyx_XDECREF(__pyx_t_5); __Pyx_AddTraceback("View.MemoryView.memoryview_copy_from_slice", __pyx_clineno, __pyx_lineno, __pyx_filename); __pyx_r = 0; __pyx_L0:; __Pyx_XGIVEREF(__pyx_r); __Pyx_RefNannyFinishContext(); return __pyx_r; } /* "View.MemoryView":1067 * * * cdef Py_ssize_t abs_py_ssize_t(Py_ssize_t arg) nogil: # <<<<<<<<<<<<<< * if arg < 0: * return -arg */ static Py_ssize_t abs_py_ssize_t(Py_ssize_t __pyx_v_arg) { Py_ssize_t __pyx_r; int __pyx_t_1; /* "View.MemoryView":1068 * * cdef Py_ssize_t abs_py_ssize_t(Py_ssize_t arg) nogil: * if arg < 0: # <<<<<<<<<<<<<< * return -arg * else: */ __pyx_t_1 = ((__pyx_v_arg < 0) != 0); if (__pyx_t_1) { /* "View.MemoryView":1069 * cdef Py_ssize_t abs_py_ssize_t(Py_ssize_t arg) nogil: * if arg < 0: * return -arg # 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cdef Py_ssize_t f_stride = 0 # <<<<<<<<<<<<<< * * for i in range(ndim - 1, -1, -1): */ __pyx_v_f_stride = 0; /* "View.MemoryView":1082 * cdef Py_ssize_t f_stride = 0 * * for i in range(ndim - 1, -1, -1): # <<<<<<<<<<<<<< * if mslice.shape[i] > 1: * c_stride = mslice.strides[i] */ for (__pyx_t_1 = (__pyx_v_ndim - 1); __pyx_t_1 > -1; __pyx_t_1-=1) { __pyx_v_i = __pyx_t_1; /* "View.MemoryView":1083 * * for i in range(ndim - 1, -1, -1): * if mslice.shape[i] > 1: # <<<<<<<<<<<<<< * c_stride = mslice.strides[i] * break */ __pyx_t_2 = (((__pyx_v_mslice->shape[__pyx_v_i]) > 1) != 0); if (__pyx_t_2) { /* "View.MemoryView":1084 * for i in range(ndim - 1, -1, -1): * if mslice.shape[i] > 1: * c_stride = mslice.strides[i] # <<<<<<<<<<<<<< * break * */ __pyx_v_c_stride = (__pyx_v_mslice->strides[__pyx_v_i]); /* "View.MemoryView":1085 * if mslice.shape[i] > 1: * c_stride = mslice.strides[i] * break # <<<<<<<<<<<<<< * * for i in range(ndim): */ goto __pyx_L4_break; goto __pyx_L5; } __pyx_L5:; } 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abs_py_ssize_t(f_stride): # <<<<<<<<<<<<<< * return 'C' * else: */ __pyx_t_2 = ((abs_py_ssize_t(__pyx_v_c_stride) <= abs_py_ssize_t(__pyx_v_f_stride)) != 0); if (__pyx_t_2) { /* "View.MemoryView":1093 * * if abs_py_ssize_t(c_stride) <= abs_py_ssize_t(f_stride): * return 'C' # <<<<<<<<<<<<<< * else: * return 'F' */ __pyx_r = 'C'; goto __pyx_L0; goto __pyx_L9; } /*else*/ { /* "View.MemoryView":1095 * return 'C' * else: * return 'F' # <<<<<<<<<<<<<< * * @cython.cdivision(True) */ __pyx_r = 'F'; goto __pyx_L0; } __pyx_L9:; __pyx_r = 0; __pyx_L0:; return __pyx_r; } /* "View.MemoryView":1098 * * @cython.cdivision(True) * cdef void _copy_strided_to_strided(char *src_data, Py_ssize_t *src_strides, # <<<<<<<<<<<<<< * char *dst_data, Py_ssize_t *dst_strides, * Py_ssize_t *src_shape, Py_ssize_t *dst_shape, */ static void _copy_strided_to_strided(char *__pyx_v_src_data, Py_ssize_t *__pyx_v_src_strides, char *__pyx_v_dst_data, Py_ssize_t *__pyx_v_dst_strides, Py_ssize_t *__pyx_v_src_shape, Py_ssize_t *__pyx_v_dst_shape, int __pyx_v_ndim, size_t __pyx_v_itemsize) { CYTHON_UNUSED Py_ssize_t __pyx_v_i; CYTHON_UNUSED Py_ssize_t __pyx_v_src_extent; Py_ssize_t __pyx_v_dst_extent; Py_ssize_t __pyx_v_src_stride; Py_ssize_t __pyx_v_dst_stride; int __pyx_t_1; int __pyx_t_2; int __pyx_t_3; int __pyx_t_4; Py_ssize_t __pyx_t_5; Py_ssize_t __pyx_t_6; /* "View.MemoryView":1105 * * cdef Py_ssize_t i * cdef Py_ssize_t src_extent = src_shape[0] # <<<<<<<<<<<<<< * cdef Py_ssize_t dst_extent = dst_shape[0] * cdef Py_ssize_t src_stride = src_strides[0] */ __pyx_v_src_extent = (__pyx_v_src_shape[0]); /* "View.MemoryView":1106 * cdef Py_ssize_t i * cdef Py_ssize_t src_extent = src_shape[0] * cdef Py_ssize_t dst_extent = dst_shape[0] # <<<<<<<<<<<<<< * cdef Py_ssize_t src_stride = src_strides[0] * cdef Py_ssize_t dst_stride = dst_strides[0] */ __pyx_v_dst_extent = (__pyx_v_dst_shape[0]); /* "View.MemoryView":1107 * cdef Py_ssize_t src_extent = src_shape[0] * cdef Py_ssize_t dst_extent = dst_shape[0] * cdef Py_ssize_t src_stride = src_strides[0] # <<<<<<<<<<<<<< * cdef Py_ssize_t dst_stride = dst_strides[0] * */ __pyx_v_src_stride = (__pyx_v_src_strides[0]); /* "View.MemoryView":1108 * cdef Py_ssize_t dst_extent = dst_shape[0] * cdef Py_ssize_t src_stride = src_strides[0] * cdef Py_ssize_t dst_stride = dst_strides[0] # <<<<<<<<<<<<<< * * if ndim == 1: */ __pyx_v_dst_stride = (__pyx_v_dst_strides[0]); /* "View.MemoryView":1110 * cdef Py_ssize_t dst_stride = dst_strides[0] * * if ndim == 1: # <<<<<<<<<<<<<< * if (src_stride > 0 and dst_stride > 0 and * src_stride == itemsize == dst_stride): */ __pyx_t_1 = ((__pyx_v_ndim == 1) != 0); if (__pyx_t_1) { /* "View.MemoryView":1111 * * if ndim == 1: * if (src_stride > 0 and dst_stride > 0 and # <<<<<<<<<<<<<< * src_stride == itemsize == dst_stride): * memcpy(dst_data, src_data, itemsize * dst_extent) */ __pyx_t_1 = ((__pyx_v_src_stride > 0) != 0); if (__pyx_t_1) { __pyx_t_2 = ((__pyx_v_dst_stride > 0) != 0); if (__pyx_t_2) { /* "View.MemoryView":1112 * if ndim == 1: * if (src_stride > 0 and dst_stride > 0 and * src_stride == itemsize == dst_stride): # <<<<<<<<<<<<<< * memcpy(dst_data, src_data, itemsize * dst_extent) * else: */ __pyx_t_3 = (((size_t)__pyx_v_src_stride) == __pyx_v_itemsize); if (__pyx_t_3) { __pyx_t_3 = (__pyx_v_itemsize == ((size_t)__pyx_v_dst_stride)); } __pyx_t_4 = (__pyx_t_3 != 0); } else { __pyx_t_4 = __pyx_t_2; } __pyx_t_2 = __pyx_t_4; } else { __pyx_t_2 = __pyx_t_1; } if (__pyx_t_2) { /* "View.MemoryView":1113 * if (src_stride > 0 and dst_stride > 0 and * src_stride == itemsize == dst_stride): * memcpy(dst_data, src_data, itemsize * dst_extent) # <<<<<<<<<<<<<< * else: * for i in range(dst_extent): */ memcpy(__pyx_v_dst_data, __pyx_v_src_data, (__pyx_v_itemsize * __pyx_v_dst_extent)); goto __pyx_L4; } /*else*/ { /* "View.MemoryView":1115 * memcpy(dst_data, src_data, itemsize * dst_extent) * else: * for i in range(dst_extent): # <<<<<<<<<<<<<< * memcpy(dst_data, src_data, itemsize) * src_data += src_stride */ __pyx_t_5 = __pyx_v_dst_extent; for (__pyx_t_6 = 0; __pyx_t_6 < __pyx_t_5; __pyx_t_6+=1) { __pyx_v_i = __pyx_t_6; /* "View.MemoryView":1116 * else: * for i in range(dst_extent): * memcpy(dst_data, src_data, itemsize) # <<<<<<<<<<<<<< * src_data += src_stride * dst_data += dst_stride */ memcpy(__pyx_v_dst_data, __pyx_v_src_data, __pyx_v_itemsize); /* "View.MemoryView":1117 * for i in range(dst_extent): * memcpy(dst_data, src_data, itemsize) * src_data += src_stride # <<<<<<<<<<<<<< * dst_data += dst_stride * else: */ __pyx_v_src_data = (__pyx_v_src_data + __pyx_v_src_stride); /* "View.MemoryView":1118 * memcpy(dst_data, src_data, itemsize) * src_data += src_stride * dst_data += dst_stride # <<<<<<<<<<<<<< * else: * for i in range(dst_extent): */ __pyx_v_dst_data = (__pyx_v_dst_data + __pyx_v_dst_stride); } } __pyx_L4:; goto __pyx_L3; } /*else*/ { /* "View.MemoryView":1120 * dst_data += dst_stride * else: * for i in range(dst_extent): # <<<<<<<<<<<<<< * _copy_strided_to_strided(src_data, src_strides + 1, * dst_data, dst_strides + 1, */ __pyx_t_5 = __pyx_v_dst_extent; for (__pyx_t_6 = 0; __pyx_t_6 < __pyx_t_5; __pyx_t_6+=1) { __pyx_v_i = __pyx_t_6; /* "View.MemoryView":1124 * dst_data, dst_strides + 1, * src_shape + 1, dst_shape + 1, * ndim - 1, itemsize) # <<<<<<<<<<<<<< * src_data += src_stride * dst_data += dst_stride */ _copy_strided_to_strided(__pyx_v_src_data, (__pyx_v_src_strides + 1), __pyx_v_dst_data, (__pyx_v_dst_strides + 1), (__pyx_v_src_shape + 1), (__pyx_v_dst_shape + 1), (__pyx_v_ndim - 1), __pyx_v_itemsize); /* "View.MemoryView":1125 * src_shape + 1, dst_shape + 1, * ndim - 1, itemsize) * src_data += src_stride # <<<<<<<<<<<<<< * dst_data += dst_stride * */ __pyx_v_src_data = (__pyx_v_src_data + __pyx_v_src_stride); /* "View.MemoryView":1126 * ndim - 1, itemsize) * src_data += src_stride * dst_data += dst_stride # <<<<<<<<<<<<<< * * cdef void copy_strided_to_strided(__Pyx_memviewslice *src, */ __pyx_v_dst_data = (__pyx_v_dst_data + __pyx_v_dst_stride); } } __pyx_L3:; } /* "View.MemoryView":1128 * dst_data += dst_stride * * cdef void copy_strided_to_strided(__Pyx_memviewslice *src, # <<<<<<<<<<<<<< * __Pyx_memviewslice *dst, * int ndim, size_t itemsize) nogil: */ static void copy_strided_to_strided(__Pyx_memviewslice *__pyx_v_src, __Pyx_memviewslice *__pyx_v_dst, int __pyx_v_ndim, size_t __pyx_v_itemsize) { /* "View.MemoryView":1132 * int ndim, size_t itemsize) nogil: * _copy_strided_to_strided(src.data, src.strides, dst.data, dst.strides, * src.shape, dst.shape, ndim, itemsize) # <<<<<<<<<<<<<< * * @cname('__pyx_memoryview_slice_get_size') */ _copy_strided_to_strided(__pyx_v_src->data, __pyx_v_src->strides, __pyx_v_dst->data, __pyx_v_dst->strides, __pyx_v_src->shape, __pyx_v_dst->shape, __pyx_v_ndim, __pyx_v_itemsize); } /* "View.MemoryView":1135 * * @cname('__pyx_memoryview_slice_get_size') * cdef Py_ssize_t slice_get_size(__Pyx_memviewslice *src, int ndim) nogil: # <<<<<<<<<<<<<< * "Return the size of the memory occupied by the slice in number of bytes" * cdef int i */ static Py_ssize_t __pyx_memoryview_slice_get_size(__Pyx_memviewslice *__pyx_v_src, int __pyx_v_ndim) { int __pyx_v_i; Py_ssize_t __pyx_v_size; Py_ssize_t __pyx_r; Py_ssize_t __pyx_t_1; int __pyx_t_2; int __pyx_t_3; /* "View.MemoryView":1138 * "Return the size of the memory occupied by the slice in number of bytes" * cdef int i * cdef Py_ssize_t size = src.memview.view.itemsize # <<<<<<<<<<<<<< * * for i in range(ndim): */ __pyx_t_1 = __pyx_v_src->memview->view.itemsize; __pyx_v_size = __pyx_t_1; /* "View.MemoryView":1140 * cdef Py_ssize_t size = src.memview.view.itemsize * * for i in range(ndim): # <<<<<<<<<<<<<< * size *= src.shape[i] * */ __pyx_t_2 = __pyx_v_ndim; for (__pyx_t_3 = 0; __pyx_t_3 < __pyx_t_2; __pyx_t_3+=1) { __pyx_v_i = __pyx_t_3; /* "View.MemoryView":1141 * * for i in range(ndim): * size *= src.shape[i] # <<<<<<<<<<<<<< * * return size */ __pyx_v_size = (__pyx_v_size * (__pyx_v_src->shape[__pyx_v_i])); } /* "View.MemoryView":1143 * size *= src.shape[i] * * return size # <<<<<<<<<<<<<< * * @cname('__pyx_fill_contig_strides_array') */ __pyx_r = __pyx_v_size; goto __pyx_L0; __pyx_r = 0; __pyx_L0:; return __pyx_r; } /* "View.MemoryView":1146 * * @cname('__pyx_fill_contig_strides_array') * cdef Py_ssize_t fill_contig_strides_array( # <<<<<<<<<<<<<< * Py_ssize_t *shape, Py_ssize_t *strides, Py_ssize_t stride, * int ndim, char order) nogil: */ static Py_ssize_t __pyx_fill_contig_strides_array(Py_ssize_t *__pyx_v_shape, Py_ssize_t *__pyx_v_strides, Py_ssize_t __pyx_v_stride, int __pyx_v_ndim, char __pyx_v_order) { int __pyx_v_idx; Py_ssize_t __pyx_r; int __pyx_t_1; int __pyx_t_2; int __pyx_t_3; /* "View.MemoryView":1155 * cdef int idx * * if order == 'F': # <<<<<<<<<<<<<< * for idx in range(ndim): * strides[idx] = stride */ __pyx_t_1 = ((__pyx_v_order == 'F') != 0); if (__pyx_t_1) { /* "View.MemoryView":1156 * * if order == 'F': * for idx in range(ndim): # 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__pyx_v_itemsize; size_t __pyx_v_size; void *__pyx_r; Py_ssize_t __pyx_t_1; int __pyx_t_2; int __pyx_t_3; struct __pyx_memoryview_obj *__pyx_t_4; int __pyx_t_5; int __pyx_lineno = 0; const char *__pyx_filename = NULL; int __pyx_clineno = 0; /* "View.MemoryView":1178 * cdef void *result * * cdef size_t itemsize = src.memview.view.itemsize # <<<<<<<<<<<<<< * cdef size_t size = slice_get_size(src, ndim) * */ __pyx_t_1 = __pyx_v_src->memview->view.itemsize; __pyx_v_itemsize = __pyx_t_1; /* "View.MemoryView":1179 * * cdef size_t itemsize = src.memview.view.itemsize * cdef size_t size = slice_get_size(src, ndim) # <<<<<<<<<<<<<< * * result = malloc(size) */ __pyx_v_size = __pyx_memoryview_slice_get_size(__pyx_v_src, __pyx_v_ndim); /* "View.MemoryView":1181 * cdef size_t size = slice_get_size(src, ndim) * * result = malloc(size) # <<<<<<<<<<<<<< * if not result: * _err(MemoryError, NULL) */ __pyx_v_result = malloc(__pyx_v_size); /* "View.MemoryView":1182 * * result = malloc(size) * if not 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__pyx_t_6 = __pyx_memoryview_copy_data_to_temp((&__pyx_v_src), (&__pyx_v_tmp), __pyx_v_order, __pyx_v_ndim); if (unlikely(__pyx_t_6 == NULL)) {__pyx_filename = __pyx_f[2]; __pyx_lineno = 1266; __pyx_clineno = __LINE__; goto __pyx_L1_error;} __pyx_v_tmpdata = __pyx_t_6; /* "View.MemoryView":1267 * * tmpdata = copy_data_to_temp(&src, &tmp, order, ndim) * src = tmp # <<<<<<<<<<<<<< * * if not broadcasting: */ __pyx_v_src = __pyx_v_tmp; goto __pyx_L9; } __pyx_L9:; /* "View.MemoryView":1269 * src = tmp * * if not broadcasting: # <<<<<<<<<<<<<< * * */ __pyx_t_2 = ((!(__pyx_v_broadcasting != 0)) != 0); if (__pyx_t_2) { /* "View.MemoryView":1272 * * * if slice_is_contig(&src, 'C', ndim): # <<<<<<<<<<<<<< * direct_copy = slice_is_contig(&dst, 'C', ndim) * elif slice_is_contig(&src, 'F', ndim): */ __pyx_t_2 = (__pyx_memviewslice_is_contig((&__pyx_v_src), 'C', __pyx_v_ndim) != 0); if (__pyx_t_2) { /* "View.MemoryView":1273 * * if slice_is_contig(&src, 'C', ndim): * direct_copy = 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<<<<<<<<<<<<<< * * refcount_copying(&dst, dtype_is_object, ndim, False) */ __pyx_t_2 = (__pyx_v_direct_copy != 0); if (__pyx_t_2) { /* "View.MemoryView":1279 * if direct_copy: * * refcount_copying(&dst, dtype_is_object, ndim, False) # <<<<<<<<<<<<<< * memcpy(dst.data, src.data, slice_get_size(&src, ndim)) * refcount_copying(&dst, dtype_is_object, ndim, True) */ __pyx_memoryview_refcount_copying((&__pyx_v_dst), __pyx_v_dtype_is_object, __pyx_v_ndim, 0); /* "View.MemoryView":1280 * * refcount_copying(&dst, dtype_is_object, ndim, False) * memcpy(dst.data, src.data, slice_get_size(&src, ndim)) # <<<<<<<<<<<<<< * refcount_copying(&dst, dtype_is_object, ndim, True) * return 0 */ memcpy(__pyx_v_dst.data, __pyx_v_src.data, __pyx_memoryview_slice_get_size((&__pyx_v_src), __pyx_v_ndim)); /* "View.MemoryView":1281 * refcount_copying(&dst, dtype_is_object, ndim, False) * memcpy(dst.data, src.data, slice_get_size(&src, ndim)) * refcount_copying(&dst, dtype_is_object, ndim, True) # <<<<<<<<<<<<<< * return 0 * */ __pyx_memoryview_refcount_copying((&__pyx_v_dst), __pyx_v_dtype_is_object, __pyx_v_ndim, 1); /* "View.MemoryView":1282 * memcpy(dst.data, src.data, slice_get_size(&src, ndim)) * refcount_copying(&dst, dtype_is_object, ndim, True) * return 0 # <<<<<<<<<<<<<< * * if order == 'F' == get_best_order(&dst, ndim): */ __pyx_r = 0; goto __pyx_L0; goto __pyx_L13; } __pyx_L13:; goto __pyx_L11; } __pyx_L11:; /* "View.MemoryView":1284 * return 0 * * if order == 'F' == get_best_order(&dst, ndim): # <<<<<<<<<<<<<< * * */ __pyx_t_2 = (__pyx_v_order == 'F'); if (__pyx_t_2) { __pyx_t_2 = ('F' == __pyx_get_best_slice_order((&__pyx_v_dst), __pyx_v_ndim)); } __pyx_t_7 = (__pyx_t_2 != 0); if (__pyx_t_7) { /* "View.MemoryView":1287 * * * transpose_memslice(&src) # <<<<<<<<<<<<<< * transpose_memslice(&dst) * */ __pyx_t_5 = __pyx_memslice_transpose((&__pyx_v_src)); if (unlikely(__pyx_t_5 == 0)) {__pyx_filename = __pyx_f[2]; __pyx_lineno = 1287; __pyx_clineno = __LINE__; goto __pyx_L1_error;} /* "View.MemoryView":1288 * * transpose_memslice(&src) * transpose_memslice(&dst) # <<<<<<<<<<<<<< * * refcount_copying(&dst, dtype_is_object, ndim, False) */ __pyx_t_5 = __pyx_memslice_transpose((&__pyx_v_dst)); if (unlikely(__pyx_t_5 == 0)) {__pyx_filename = __pyx_f[2]; __pyx_lineno = 1288; __pyx_clineno = __LINE__; goto __pyx_L1_error;} goto __pyx_L14; } __pyx_L14:; /* "View.MemoryView":1290 * transpose_memslice(&dst) * * refcount_copying(&dst, dtype_is_object, ndim, False) # <<<<<<<<<<<<<< * copy_strided_to_strided(&src, &dst, ndim, itemsize) * refcount_copying(&dst, dtype_is_object, ndim, True) */ __pyx_memoryview_refcount_copying((&__pyx_v_dst), __pyx_v_dtype_is_object, __pyx_v_ndim, 0); /* "View.MemoryView":1291 * * refcount_copying(&dst, dtype_is_object, ndim, False) * copy_strided_to_strided(&src, &dst, ndim, itemsize) # <<<<<<<<<<<<<< * refcount_copying(&dst, dtype_is_object, ndim, True) * */ copy_strided_to_strided((&__pyx_v_src), (&__pyx_v_dst), __pyx_v_ndim, __pyx_v_itemsize); /* "View.MemoryView":1292 * refcount_copying(&dst, dtype_is_object, ndim, False) * copy_strided_to_strided(&src, &dst, ndim, itemsize) * refcount_copying(&dst, dtype_is_object, ndim, True) # <<<<<<<<<<<<<< * * free(tmpdata) */ __pyx_memoryview_refcount_copying((&__pyx_v_dst), __pyx_v_dtype_is_object, __pyx_v_ndim, 1); /* "View.MemoryView":1294 * refcount_copying(&dst, dtype_is_object, ndim, True) * * free(tmpdata) # <<<<<<<<<<<<<< * return 0 * */ free(__pyx_v_tmpdata); /* "View.MemoryView":1295 * * free(tmpdata) * return 0 # <<<<<<<<<<<<<< * * @cname('__pyx_memoryview_broadcast_leading') */ __pyx_r = 0; goto __pyx_L0; __pyx_r = 0; goto __pyx_L0; __pyx_L1_error:; { #ifdef WITH_THREAD PyGILState_STATE __pyx_gilstate_save = PyGILState_Ensure(); #endif __Pyx_AddTraceback("View.MemoryView.memoryview_copy_contents", __pyx_clineno, __pyx_lineno, __pyx_filename); #ifdef WITH_THREAD PyGILState_Release(__pyx_gilstate_save); #endif } __pyx_r = -1; __pyx_L0:; return __pyx_r; } /* "View.MemoryView":1298 * * @cname('__pyx_memoryview_broadcast_leading') * cdef void broadcast_leading(__Pyx_memviewslice *slice, # <<<<<<<<<<<<<< * int ndim, * int ndim_other) nogil: */ static void __pyx_memoryview_broadcast_leading(__Pyx_memviewslice *__pyx_v_slice, int __pyx_v_ndim, int __pyx_v_ndim_other) { int __pyx_v_i; int __pyx_v_offset; int __pyx_t_1; int __pyx_t_2; /* "View.MemoryView":1302 * int ndim_other) nogil: * cdef int i * cdef int offset = ndim_other - ndim # <<<<<<<<<<<<<< * * for i in range(ndim - 1, -1, -1): */ __pyx_v_offset = (__pyx_v_ndim_other - __pyx_v_ndim); /* "View.MemoryView":1304 * cdef int offset = ndim_other - ndim * * for i in range(ndim - 1, -1, -1): # <<<<<<<<<<<<<< * slice.shape[i + offset] = slice.shape[i] * slice.strides[i + offset] = slice.strides[i] */ for (__pyx_t_1 = (__pyx_v_ndim - 1); __pyx_t_1 > -1; __pyx_t_1-=1) { __pyx_v_i = __pyx_t_1; /* "View.MemoryView":1305 * * for i in range(ndim - 1, -1, -1): * slice.shape[i + offset] = slice.shape[i] # <<<<<<<<<<<<<< * slice.strides[i + offset] = slice.strides[i] * slice.suboffsets[i + offset] = slice.suboffsets[i] */ (__pyx_v_slice->shape[(__pyx_v_i + __pyx_v_offset)]) = (__pyx_v_slice->shape[__pyx_v_i]); /* "View.MemoryView":1306 * for i in range(ndim - 1, -1, -1): * slice.shape[i + offset] = slice.shape[i] * slice.strides[i + offset] = slice.strides[i] # <<<<<<<<<<<<<< * slice.suboffsets[i + offset] = slice.suboffsets[i] * */ (__pyx_v_slice->strides[(__pyx_v_i + __pyx_v_offset)]) = (__pyx_v_slice->strides[__pyx_v_i]); /* "View.MemoryView":1307 * slice.shape[i + offset] = slice.shape[i] * slice.strides[i + offset] = slice.strides[i] * slice.suboffsets[i + offset] = slice.suboffsets[i] # <<<<<<<<<<<<<< * * for i in range(offset): */ (__pyx_v_slice->suboffsets[(__pyx_v_i + __pyx_v_offset)]) = (__pyx_v_slice->suboffsets[__pyx_v_i]); } /* "View.MemoryView":1309 * slice.suboffsets[i + offset] = slice.suboffsets[i] * * for i in range(offset): # <<<<<<<<<<<<<< * 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static void __pyx_memoryview_refcount_objects_in_slice_with_gil(char *__pyx_v_data, Py_ssize_t *__pyx_v_shape, Py_ssize_t *__pyx_v_strides, int __pyx_v_ndim, int __pyx_v_inc) { __Pyx_RefNannyDeclarations #ifdef WITH_THREAD PyGILState_STATE __pyx_gilstate_save = PyGILState_Ensure(); #endif __Pyx_RefNannySetupContext("refcount_objects_in_slice_with_gil", 0); /* "View.MemoryView":1332 * Py_ssize_t *strides, int ndim, * bint inc) with gil: * refcount_objects_in_slice(data, shape, strides, ndim, inc) # <<<<<<<<<<<<<< * * @cname('__pyx_memoryview_refcount_objects_in_slice') */ __pyx_memoryview_refcount_objects_in_slice(__pyx_v_data, __pyx_v_shape, __pyx_v_strides, __pyx_v_ndim, __pyx_v_inc); __Pyx_RefNannyFinishContext(); #ifdef WITH_THREAD PyGILState_Release(__pyx_gilstate_save); #endif } /* "View.MemoryView":1335 * * @cname('__pyx_memoryview_refcount_objects_in_slice') * cdef void refcount_objects_in_slice(char *data, Py_ssize_t *shape, # <<<<<<<<<<<<<< * Py_ssize_t *strides, int ndim, bint inc): * cdef Py_ssize_t i */ static void __pyx_memoryview_refcount_objects_in_slice(char *__pyx_v_data, Py_ssize_t *__pyx_v_shape, Py_ssize_t *__pyx_v_strides, int __pyx_v_ndim, int __pyx_v_inc) { CYTHON_UNUSED Py_ssize_t __pyx_v_i; __Pyx_RefNannyDeclarations Py_ssize_t __pyx_t_1; Py_ssize_t __pyx_t_2; int __pyx_t_3; __Pyx_RefNannySetupContext("refcount_objects_in_slice", 0); /* "View.MemoryView":1339 * cdef Py_ssize_t i * * for i in range(shape[0]): # <<<<<<<<<<<<<< * if ndim == 1: * if inc: */ __pyx_t_1 = (__pyx_v_shape[0]); for (__pyx_t_2 = 0; __pyx_t_2 < __pyx_t_1; __pyx_t_2+=1) { __pyx_v_i = __pyx_t_2; /* "View.MemoryView":1340 * * for i in range(shape[0]): * if ndim == 1: # <<<<<<<<<<<<<< * if inc: * Py_INCREF(( data)[0]) */ __pyx_t_3 = ((__pyx_v_ndim == 1) != 0); if (__pyx_t_3) { /* "View.MemoryView":1341 * for i in range(shape[0]): * if ndim == 1: * if inc: # <<<<<<<<<<<<<< * Py_INCREF(( data)[0]) * else: */ __pyx_t_3 = (__pyx_v_inc != 0); if (__pyx_t_3) { /* 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__pyx_v_dst->shape, __pyx_v_dst->strides, __pyx_v_ndim, __pyx_v_itemsize, __pyx_v_item); /* "View.MemoryView":1361 * _slice_assign_scalar(dst.data, dst.shape, dst.strides, ndim, * itemsize, item) * refcount_copying(dst, dtype_is_object, ndim, True) # <<<<<<<<<<<<<< * * */ __pyx_memoryview_refcount_copying(__pyx_v_dst, __pyx_v_dtype_is_object, __pyx_v_ndim, 1); } /* "View.MemoryView":1365 * * @cname('__pyx_memoryview__slice_assign_scalar') * cdef void _slice_assign_scalar(char *data, Py_ssize_t *shape, # <<<<<<<<<<<<<< * Py_ssize_t *strides, int ndim, * size_t itemsize, void *item) nogil: */ static void __pyx_memoryview__slice_assign_scalar(char *__pyx_v_data, Py_ssize_t *__pyx_v_shape, Py_ssize_t *__pyx_v_strides, int __pyx_v_ndim, size_t __pyx_v_itemsize, void *__pyx_v_item) { CYTHON_UNUSED Py_ssize_t __pyx_v_i; Py_ssize_t __pyx_v_stride; Py_ssize_t __pyx_v_extent; int __pyx_t_1; Py_ssize_t __pyx_t_2; Py_ssize_t __pyx_t_3; /* "View.MemoryView":1369 * size_t itemsize, void *item) nogil: * cdef Py_ssize_t i * cdef Py_ssize_t stride = strides[0] # <<<<<<<<<<<<<< * cdef Py_ssize_t extent = shape[0] * */ __pyx_v_stride = (__pyx_v_strides[0]); /* "View.MemoryView":1370 * cdef Py_ssize_t i * cdef Py_ssize_t stride = strides[0] * cdef Py_ssize_t extent = shape[0] # <<<<<<<<<<<<<< * * if ndim == 1: */ __pyx_v_extent = (__pyx_v_shape[0]); /* "View.MemoryView":1372 * cdef Py_ssize_t extent = shape[0] * * if ndim == 1: # <<<<<<<<<<<<<< * for i in range(extent): * memcpy(data, item, itemsize) */ __pyx_t_1 = ((__pyx_v_ndim == 1) != 0); if (__pyx_t_1) { /* "View.MemoryView":1373 * * if ndim == 1: * for i in range(extent): # <<<<<<<<<<<<<< * memcpy(data, item, itemsize) * data += stride */ __pyx_t_2 = __pyx_v_extent; for (__pyx_t_3 = 0; __pyx_t_3 < __pyx_t_2; __pyx_t_3+=1) { __pyx_v_i = __pyx_t_3; /* "View.MemoryView":1374 * if ndim == 1: * for i in range(extent): * memcpy(data, item, itemsize) # <<<<<<<<<<<<<< * data += stride * else: */ memcpy(__pyx_v_data, __pyx_v_item, __pyx_v_itemsize); /* "View.MemoryView":1375 * for i in range(extent): * memcpy(data, item, itemsize) * data += stride # <<<<<<<<<<<<<< * else: * for i in range(extent): */ __pyx_v_data = (__pyx_v_data + __pyx_v_stride); } goto __pyx_L3; } /*else*/ { /* "View.MemoryView":1377 * data += stride * else: * for i in range(extent): # <<<<<<<<<<<<<< * _slice_assign_scalar(data, shape + 1, strides + 1, * ndim - 1, itemsize, item) */ __pyx_t_2 = __pyx_v_extent; for (__pyx_t_3 = 0; __pyx_t_3 < __pyx_t_2; __pyx_t_3+=1) { __pyx_v_i = __pyx_t_3; /* "View.MemoryView":1379 * for i in range(extent): * _slice_assign_scalar(data, shape + 1, strides + 1, * ndim - 1, itemsize, item) # <<<<<<<<<<<<<< * data += stride * */ __pyx_memoryview__slice_assign_scalar(__pyx_v_data, (__pyx_v_shape + 1), (__pyx_v_strides + 1), (__pyx_v_ndim - 1), __pyx_v_itemsize, __pyx_v_item); /* "View.MemoryView":1380 * _slice_assign_scalar(data, shape + 1, strides + 1, * ndim - 1, itemsize, item) * data += stride # <<<<<<<<<<<<<< * * */ __pyx_v_data = (__pyx_v_data + __pyx_v_stride); } } __pyx_L3:; } static struct __pyx_vtabstruct_memoryview __pyx_vtable_memoryview; static PyObject *__pyx_tp_new_memoryview(PyTypeObject *t, PyObject *a, PyObject *k) { struct __pyx_memoryview_obj *p; PyObject *o; o = (*t->tp_alloc)(t, 0); if (unlikely(!o)) return 0; p = ((struct __pyx_memoryview_obj *)o); p->__pyx_vtab = __pyx_vtabptr_memoryview; p->obj = Py_None; Py_INCREF(Py_None); p->_size = Py_None; Py_INCREF(Py_None); p->_array_interface = Py_None; Py_INCREF(Py_None); p->view.obj = NULL; if (unlikely(__pyx_memoryview___cinit__(o, a, k) < 0)) { Py_DECREF(o); o = 0; } return o; } static void __pyx_tp_dealloc_memoryview(PyObject *o) { struct __pyx_memoryview_obj *p = (struct __pyx_memoryview_obj *)o; PyObject_GC_UnTrack(o); { PyObject *etype, *eval, *etb; PyErr_Fetch(&etype, &eval, &etb); ++Py_REFCNT(o); __pyx_memoryview___dealloc__(o); if (PyErr_Occurred()) PyErr_WriteUnraisable(o); --Py_REFCNT(o); PyErr_Restore(etype, eval, etb); } Py_CLEAR(p->obj); Py_CLEAR(p->_size); Py_CLEAR(p->_array_interface); (*Py_TYPE(o)->tp_free)(o); } static int __pyx_tp_traverse_memoryview(PyObject *o, visitproc v, void *a) { int e; struct __pyx_memoryview_obj *p = (struct __pyx_memoryview_obj *)o; if (p->obj) { e = (*v)(p->obj, a); if (e) return e; } if (p->_size) { e = (*v)(p->_size, a); if (e) return e; } if (p->_array_interface) { e = (*v)(p->_array_interface, a); if (e) return e; } if (p->view.obj) { e = (*v)(p->view.obj, a); if (e) return e; } return 0; } static int __pyx_tp_clear_memoryview(PyObject *o) { struct __pyx_memoryview_obj *p = (struct __pyx_memoryview_obj *)o; PyObject* tmp; tmp = ((PyObject*)p->obj); p->obj = Py_None; Py_INCREF(Py_None); Py_XDECREF(tmp); tmp = ((PyObject*)p->_size); p->_size = Py_None; Py_INCREF(Py_None); Py_XDECREF(tmp); tmp = ((PyObject*)p->_array_interface); p->_array_interface = Py_None; Py_INCREF(Py_None); Py_XDECREF(tmp); Py_CLEAR(p->view.obj); return 0; } static PyObject *__pyx_sq_item_memoryview(PyObject *o, Py_ssize_t i) { PyObject *r; PyObject *x = PyInt_FromSsize_t(i); if(!x) return 0; r = Py_TYPE(o)->tp_as_mapping->mp_subscript(o, x); Py_DECREF(x); return r; } static int __pyx_mp_ass_subscript_memoryview(PyObject *o, PyObject *i, PyObject *v) { if (v) { return __pyx_memoryview___setitem__(o, i, v); } else { PyErr_Format(PyExc_NotImplementedError, "Subscript deletion not supported by %s", Py_TYPE(o)->tp_name); return -1; } } static PyObject *__pyx_getprop___pyx_memoryview_T(PyObject *o, CYTHON_UNUSED void *x) { return __pyx_memoryview_transpose(o); } static PyObject *__pyx_getprop___pyx_memoryview_base(PyObject *o, CYTHON_UNUSED void *x) { return __pyx_memoryview__get__base(o); } static PyObject *__pyx_getprop___pyx_memoryview_shape(PyObject *o, CYTHON_UNUSED void *x) { return __pyx_memoryview_get_shape(o); } static PyObject *__pyx_getprop___pyx_memoryview_strides(PyObject *o, CYTHON_UNUSED void *x) { return __pyx_memoryview_get_strides(o); } static PyObject *__pyx_getprop___pyx_memoryview_suboffsets(PyObject *o, CYTHON_UNUSED void *x) { return __pyx_memoryview_get_suboffsets(o); } static PyObject *__pyx_getprop___pyx_memoryview_ndim(PyObject *o, CYTHON_UNUSED void *x) { return __pyx_memoryview_get_ndim(o); } static PyObject *__pyx_getprop___pyx_memoryview_itemsize(PyObject *o, CYTHON_UNUSED void *x) { return __pyx_memoryview_get_itemsize(o); } static PyObject *__pyx_getprop___pyx_memoryview_nbytes(PyObject *o, CYTHON_UNUSED void *x) { return __pyx_memoryview_get_nbytes(o); } static PyObject *__pyx_getprop___pyx_memoryview_size(PyObject *o, CYTHON_UNUSED void *x) { return __pyx_memoryview_get_size(o); } static PyMethodDef __pyx_methods_memoryview[] = { {__Pyx_NAMESTR("is_c_contig"), (PyCFunction)__pyx_memoryview_is_c_contig, METH_NOARGS, __Pyx_DOCSTR(0)}, {__Pyx_NAMESTR("is_f_contig"), (PyCFunction)__pyx_memoryview_is_f_contig, METH_NOARGS, __Pyx_DOCSTR(0)}, {__Pyx_NAMESTR("copy"), (PyCFunction)__pyx_memoryview_copy, METH_NOARGS, __Pyx_DOCSTR(0)}, {__Pyx_NAMESTR("copy_fortran"), (PyCFunction)__pyx_memoryview_copy_fortran, METH_NOARGS, __Pyx_DOCSTR(0)}, {0, 0, 0, 0} }; static struct PyGetSetDef __pyx_getsets_memoryview[] = { {(char *)"T", __pyx_getprop___pyx_memoryview_T, 0, 0, 0}, {(char *)"base", __pyx_getprop___pyx_memoryview_base, 0, 0, 0}, {(char *)"shape", __pyx_getprop___pyx_memoryview_shape, 0, 0, 0}, {(char *)"strides", __pyx_getprop___pyx_memoryview_strides, 0, 0, 0}, {(char *)"suboffsets", __pyx_getprop___pyx_memoryview_suboffsets, 0, 0, 0}, {(char *)"ndim", __pyx_getprop___pyx_memoryview_ndim, 0, 0, 0}, {(char *)"itemsize", __pyx_getprop___pyx_memoryview_itemsize, 0, 0, 0}, {(char *)"nbytes", __pyx_getprop___pyx_memoryview_nbytes, 0, 0, 0}, {(char *)"size", __pyx_getprop___pyx_memoryview_size, 0, 0, 0}, {0, 0, 0, 0, 0} }; static PySequenceMethods __pyx_tp_as_sequence_memoryview = { __pyx_memoryview___len__, /*sq_length*/ 0, /*sq_concat*/ 0, /*sq_repeat*/ __pyx_sq_item_memoryview, /*sq_item*/ 0, /*sq_slice*/ 0, /*sq_ass_item*/ 0, /*sq_ass_slice*/ 0, /*sq_contains*/ 0, /*sq_inplace_concat*/ 0, /*sq_inplace_repeat*/ }; static PyMappingMethods __pyx_tp_as_mapping_memoryview = { __pyx_memoryview___len__, /*mp_length*/ __pyx_memoryview___getitem__, /*mp_subscript*/ __pyx_mp_ass_subscript_memoryview, /*mp_ass_subscript*/ }; static PyBufferProcs __pyx_tp_as_buffer_memoryview = { #if PY_MAJOR_VERSION < 3 0, /*bf_getreadbuffer*/ #endif #if PY_MAJOR_VERSION < 3 0, /*bf_getwritebuffer*/ #endif #if PY_MAJOR_VERSION < 3 0, /*bf_getsegcount*/ #endif #if PY_MAJOR_VERSION < 3 0, /*bf_getcharbuffer*/ #endif #if PY_VERSION_HEX >= 0x02060000 __pyx_memoryview_getbuffer, /*bf_getbuffer*/ #endif #if PY_VERSION_HEX >= 0x02060000 0, /*bf_releasebuffer*/ #endif }; static PyTypeObject __pyx_type___pyx_memoryview = { PyVarObject_HEAD_INIT(0, 0) __Pyx_NAMESTR("_qhull64.memoryview"), /*tp_name*/ sizeof(struct __pyx_memoryview_obj), /*tp_basicsize*/ 0, /*tp_itemsize*/ __pyx_tp_dealloc_memoryview, /*tp_dealloc*/ 0, /*tp_print*/ 0, /*tp_getattr*/ 0, /*tp_setattr*/ #if PY_MAJOR_VERSION < 3 0, /*tp_compare*/ #else 0, /*reserved*/ #endif __pyx_memoryview___repr__, /*tp_repr*/ 0, /*tp_as_number*/ &__pyx_tp_as_sequence_memoryview, /*tp_as_sequence*/ &__pyx_tp_as_mapping_memoryview, /*tp_as_mapping*/ 0, /*tp_hash*/ 0, /*tp_call*/ __pyx_memoryview___str__, /*tp_str*/ 0, /*tp_getattro*/ 0, /*tp_setattro*/ &__pyx_tp_as_buffer_memoryview, /*tp_as_buffer*/ Py_TPFLAGS_DEFAULT|Py_TPFLAGS_HAVE_VERSION_TAG|Py_TPFLAGS_CHECKTYPES|Py_TPFLAGS_HAVE_NEWBUFFER|Py_TPFLAGS_BASETYPE|Py_TPFLAGS_HAVE_GC, /*tp_flags*/ 0, /*tp_doc*/ __pyx_tp_traverse_memoryview, /*tp_traverse*/ __pyx_tp_clear_memoryview, /*tp_clear*/ 0, /*tp_richcompare*/ 0, /*tp_weaklistoffset*/ 0, /*tp_iter*/ 0, /*tp_iternext*/ __pyx_methods_memoryview, /*tp_methods*/ 0, /*tp_members*/ __pyx_getsets_memoryview, /*tp_getset*/ 0, /*tp_base*/ 0, /*tp_dict*/ 0, /*tp_descr_get*/ 0, /*tp_descr_set*/ 0, /*tp_dictoffset*/ 0, /*tp_init*/ 0, /*tp_alloc*/ __pyx_tp_new_memoryview, /*tp_new*/ 0, /*tp_free*/ 0, /*tp_is_gc*/ 0, /*tp_bases*/ 0, /*tp_mro*/ 0, /*tp_cache*/ 0, /*tp_subclasses*/ 0, /*tp_weaklist*/ 0, /*tp_del*/ #if PY_VERSION_HEX >= 0x02060000 0, /*tp_version_tag*/ #endif }; static PyObject *__pyx_tp_new_array(PyTypeObject *t, PyObject *a, PyObject *k) { struct __pyx_array_obj *p; PyObject *o; o = (*t->tp_alloc)(t, 0); if (unlikely(!o)) return 0; p = ((struct __pyx_array_obj *)o); p->mode = ((PyObject*)Py_None); Py_INCREF(Py_None); p->_format = ((PyObject*)Py_None); Py_INCREF(Py_None); if (unlikely(__pyx_array___cinit__(o, a, k) < 0)) { Py_DECREF(o); o = 0; } return o; } static void __pyx_tp_dealloc_array(PyObject *o) { struct __pyx_array_obj *p = (struct __pyx_array_obj *)o; PyObject_GC_UnTrack(o); { PyObject *etype, *eval, *etb; PyErr_Fetch(&etype, &eval, &etb); ++Py_REFCNT(o); __pyx_array___dealloc__(o); if (PyErr_Occurred()) PyErr_WriteUnraisable(o); --Py_REFCNT(o); PyErr_Restore(etype, eval, etb); } Py_CLEAR(p->mode); Py_CLEAR(p->_format); (*Py_TYPE(o)->tp_free)(o); } static int __pyx_tp_traverse_array(PyObject *o, visitproc v, void *a) { int e; struct __pyx_array_obj *p = (struct __pyx_array_obj *)o; if (p->mode) { e = (*v)(p->mode, a); if (e) return e; } if (p->_format) { e = (*v)(p->_format, a); if (e) return e; } return 0; } static int __pyx_tp_clear_array(PyObject *o) { struct __pyx_array_obj *p = (struct __pyx_array_obj *)o; PyObject* tmp; tmp = ((PyObject*)p->mode); p->mode = ((PyObject*)Py_None); Py_INCREF(Py_None); Py_XDECREF(tmp); tmp = ((PyObject*)p->_format); p->_format = ((PyObject*)Py_None); Py_INCREF(Py_None); Py_XDECREF(tmp); return 0; } static PyObject *__pyx_sq_item_array(PyObject *o, Py_ssize_t i) { PyObject *r; PyObject *x = PyInt_FromSsize_t(i); if(!x) return 0; r = Py_TYPE(o)->tp_as_mapping->mp_subscript(o, x); Py_DECREF(x); return r; } static int __pyx_mp_ass_subscript_array(PyObject *o, PyObject *i, PyObject *v) { if (v) { return __pyx_array___setitem__(o, i, v); } else { PyErr_Format(PyExc_NotImplementedError, "Subscript deletion not supported by %s", Py_TYPE(o)->tp_name); return -1; } } static PyObject *__pyx_tp_getattro_array(PyObject *o, PyObject *n) { PyObject *v = PyObject_GenericGetAttr(o, n); if (!v && PyErr_ExceptionMatches(PyExc_AttributeError)) { PyErr_Clear(); v = __pyx_array___getattr__(o, n); } return v; } static PyObject *__pyx_getprop___pyx_array_memview(PyObject *o, CYTHON_UNUSED void *x) { return get_memview(o); } static PyMethodDef __pyx_methods_array[] = { {__Pyx_NAMESTR("__getattr__"), (PyCFunction)__pyx_array___getattr__, METH_O|METH_COEXIST, __Pyx_DOCSTR(0)}, {0, 0, 0, 0} }; static struct PyGetSetDef __pyx_getsets_array[] = { {(char *)"memview", __pyx_getprop___pyx_array_memview, 0, 0, 0}, {0, 0, 0, 0, 0} }; static PySequenceMethods __pyx_tp_as_sequence_array = { 0, /*sq_length*/ 0, /*sq_concat*/ 0, /*sq_repeat*/ __pyx_sq_item_array, /*sq_item*/ 0, /*sq_slice*/ 0, /*sq_ass_item*/ 0, /*sq_ass_slice*/ 0, /*sq_contains*/ 0, /*sq_inplace_concat*/ 0, /*sq_inplace_repeat*/ }; static PyMappingMethods __pyx_tp_as_mapping_array = { 0, /*mp_length*/ __pyx_array___getitem__, /*mp_subscript*/ __pyx_mp_ass_subscript_array, /*mp_ass_subscript*/ }; static PyBufferProcs __pyx_tp_as_buffer_array = { #if PY_MAJOR_VERSION < 3 0, /*bf_getreadbuffer*/ #endif #if PY_MAJOR_VERSION < 3 0, /*bf_getwritebuffer*/ #endif #if PY_MAJOR_VERSION < 3 0, /*bf_getsegcount*/ #endif #if PY_MAJOR_VERSION < 3 0, /*bf_getcharbuffer*/ #endif #if PY_VERSION_HEX >= 0x02060000 __pyx_array_getbuffer, /*bf_getbuffer*/ #endif #if PY_VERSION_HEX >= 0x02060000 0, /*bf_releasebuffer*/ #endif }; static PyTypeObject __pyx_type___pyx_array = { PyVarObject_HEAD_INIT(0, 0) __Pyx_NAMESTR("_qhull64.array"), /*tp_name*/ sizeof(struct __pyx_array_obj), /*tp_basicsize*/ 0, /*tp_itemsize*/ __pyx_tp_dealloc_array, /*tp_dealloc*/ 0, /*tp_print*/ 0, /*tp_getattr*/ 0, /*tp_setattr*/ #if PY_MAJOR_VERSION < 3 0, /*tp_compare*/ #else 0, /*reserved*/ #endif 0, /*tp_repr*/ 0, /*tp_as_number*/ &__pyx_tp_as_sequence_array, /*tp_as_sequence*/ &__pyx_tp_as_mapping_array, /*tp_as_mapping*/ 0, /*tp_hash*/ 0, /*tp_call*/ 0, /*tp_str*/ __pyx_tp_getattro_array, /*tp_getattro*/ 0, /*tp_setattro*/ &__pyx_tp_as_buffer_array, /*tp_as_buffer*/ Py_TPFLAGS_DEFAULT|Py_TPFLAGS_HAVE_VERSION_TAG|Py_TPFLAGS_CHECKTYPES|Py_TPFLAGS_HAVE_NEWBUFFER|Py_TPFLAGS_BASETYPE|Py_TPFLAGS_HAVE_GC, /*tp_flags*/ 0, /*tp_doc*/ __pyx_tp_traverse_array, /*tp_traverse*/ __pyx_tp_clear_array, /*tp_clear*/ 0, /*tp_richcompare*/ 0, /*tp_weaklistoffset*/ 0, /*tp_iter*/ 0, /*tp_iternext*/ __pyx_methods_array, /*tp_methods*/ 0, /*tp_members*/ __pyx_getsets_array, /*tp_getset*/ 0, /*tp_base*/ 0, /*tp_dict*/ 0, /*tp_descr_get*/ 0, /*tp_descr_set*/ 0, /*tp_dictoffset*/ 0, /*tp_init*/ 0, /*tp_alloc*/ __pyx_tp_new_array, /*tp_new*/ 0, /*tp_free*/ 0, /*tp_is_gc*/ 0, /*tp_bases*/ 0, /*tp_mro*/ 0, /*tp_cache*/ 0, /*tp_subclasses*/ 0, /*tp_weaklist*/ 0, /*tp_del*/ #if PY_VERSION_HEX >= 0x02060000 0, /*tp_version_tag*/ #endif }; static PyObject *__pyx_tp_new_Enum(PyTypeObject *t, CYTHON_UNUSED PyObject *a, CYTHON_UNUSED PyObject *k) { struct __pyx_MemviewEnum_obj *p; PyObject *o; o = (*t->tp_alloc)(t, 0); if (unlikely(!o)) return 0; p = ((struct __pyx_MemviewEnum_obj *)o); p->name = Py_None; Py_INCREF(Py_None); return o; } static void __pyx_tp_dealloc_Enum(PyObject *o) { struct __pyx_MemviewEnum_obj *p = (struct __pyx_MemviewEnum_obj *)o; PyObject_GC_UnTrack(o); Py_CLEAR(p->name); (*Py_TYPE(o)->tp_free)(o); } static int __pyx_tp_traverse_Enum(PyObject *o, visitproc v, void *a) { int e; struct __pyx_MemviewEnum_obj *p = (struct __pyx_MemviewEnum_obj *)o; if (p->name) { e = (*v)(p->name, a); if (e) return e; } return 0; } static int __pyx_tp_clear_Enum(PyObject *o) { struct __pyx_MemviewEnum_obj *p = (struct __pyx_MemviewEnum_obj *)o; PyObject* tmp; tmp = ((PyObject*)p->name); p->name = Py_None; Py_INCREF(Py_None); Py_XDECREF(tmp); return 0; } static PyMethodDef __pyx_methods_Enum[] = { {0, 0, 0, 0} }; static PyTypeObject __pyx_type___pyx_MemviewEnum = { PyVarObject_HEAD_INIT(0, 0) __Pyx_NAMESTR("_qhull64.Enum"), /*tp_name*/ sizeof(struct __pyx_MemviewEnum_obj), /*tp_basicsize*/ 0, /*tp_itemsize*/ __pyx_tp_dealloc_Enum, /*tp_dealloc*/ 0, /*tp_print*/ 0, /*tp_getattr*/ 0, /*tp_setattr*/ #if PY_MAJOR_VERSION < 3 0, /*tp_compare*/ #else 0, /*reserved*/ #endif __pyx_MemviewEnum___repr__, /*tp_repr*/ 0, /*tp_as_number*/ 0, /*tp_as_sequence*/ 0, /*tp_as_mapping*/ 0, /*tp_hash*/ 0, /*tp_call*/ 0, /*tp_str*/ 0, /*tp_getattro*/ 0, /*tp_setattro*/ 0, /*tp_as_buffer*/ Py_TPFLAGS_DEFAULT|Py_TPFLAGS_HAVE_VERSION_TAG|Py_TPFLAGS_CHECKTYPES|Py_TPFLAGS_HAVE_NEWBUFFER|Py_TPFLAGS_BASETYPE|Py_TPFLAGS_HAVE_GC, /*tp_flags*/ 0, /*tp_doc*/ __pyx_tp_traverse_Enum, /*tp_traverse*/ __pyx_tp_clear_Enum, /*tp_clear*/ 0, /*tp_richcompare*/ 0, /*tp_weaklistoffset*/ 0, /*tp_iter*/ 0, /*tp_iternext*/ __pyx_methods_Enum, /*tp_methods*/ 0, /*tp_members*/ 0, /*tp_getset*/ 0, /*tp_base*/ 0, /*tp_dict*/ 0, /*tp_descr_get*/ 0, /*tp_descr_set*/ 0, /*tp_dictoffset*/ __pyx_MemviewEnum___init__, /*tp_init*/ 0, /*tp_alloc*/ __pyx_tp_new_Enum, /*tp_new*/ 0, /*tp_free*/ 0, /*tp_is_gc*/ 0, /*tp_bases*/ 0, /*tp_mro*/ 0, /*tp_cache*/ 0, /*tp_subclasses*/ 0, /*tp_weaklist*/ 0, /*tp_del*/ #if PY_VERSION_HEX >= 0x02060000 0, /*tp_version_tag*/ #endif }; static struct __pyx_vtabstruct__memoryviewslice __pyx_vtable__memoryviewslice; static PyObject *__pyx_tp_new__memoryviewslice(PyTypeObject *t, PyObject *a, PyObject *k) { struct __pyx_memoryviewslice_obj *p; PyObject *o = __pyx_tp_new_memoryview(t, a, k); if (unlikely(!o)) return 0; p = ((struct __pyx_memoryviewslice_obj *)o); p->__pyx_base.__pyx_vtab = (struct __pyx_vtabstruct_memoryview*)__pyx_vtabptr__memoryviewslice; p->from_object = Py_None; Py_INCREF(Py_None); p->from_slice.memview = NULL; return o; } static void __pyx_tp_dealloc__memoryviewslice(PyObject *o) { struct __pyx_memoryviewslice_obj *p = (struct __pyx_memoryviewslice_obj *)o; PyObject_GC_UnTrack(o); { PyObject *etype, *eval, *etb; PyErr_Fetch(&etype, &eval, &etb); ++Py_REFCNT(o); __pyx_memoryviewslice___dealloc__(o); if (PyErr_Occurred()) PyErr_WriteUnraisable(o); --Py_REFCNT(o); PyErr_Restore(etype, eval, etb); } Py_CLEAR(p->from_object); PyObject_GC_Track(o); __pyx_tp_dealloc_memoryview(o); } static int __pyx_tp_traverse__memoryviewslice(PyObject *o, visitproc v, void *a) { int e; struct __pyx_memoryviewslice_obj *p = (struct __pyx_memoryviewslice_obj *)o; e = __pyx_tp_traverse_memoryview(o, v, a); if (e) return e; if (p->from_object) { e = (*v)(p->from_object, a); if (e) return e; } return 0; } static int __pyx_tp_clear__memoryviewslice(PyObject *o) { struct __pyx_memoryviewslice_obj *p = (struct __pyx_memoryviewslice_obj *)o; PyObject* tmp; __pyx_tp_clear_memoryview(o); tmp = ((PyObject*)p->from_object); p->from_object = Py_None; Py_INCREF(Py_None); Py_XDECREF(tmp); __PYX_XDEC_MEMVIEW(&p->from_slice, 1); return 0; 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__pyx_t_1 = PyObject_Call(((PyObject *)((PyObject *)__pyx_MemviewEnum_type)), ((PyObject *)__pyx_k_tuple_64), NULL); if (unlikely(!__pyx_t_1)) {__pyx_filename = __pyx_f[2]; __pyx_lineno = 283; __pyx_clineno = __LINE__; goto __pyx_L1_error;} __Pyx_GOTREF(__pyx_t_1); __Pyx_XGOTREF(strided); __Pyx_DECREF_SET(strided, __pyx_t_1); __Pyx_GIVEREF(__pyx_t_1); __pyx_t_1 = 0; /* "View.MemoryView":284 * cdef generic = Enum("") * cdef strided = Enum("") # default * cdef indirect = Enum("") # <<<<<<<<<<<<<< * * */ __pyx_t_1 = PyObject_Call(((PyObject *)((PyObject *)__pyx_MemviewEnum_type)), ((PyObject *)__pyx_k_tuple_66), NULL); if (unlikely(!__pyx_t_1)) {__pyx_filename = __pyx_f[2]; __pyx_lineno = 284; __pyx_clineno = __LINE__; goto __pyx_L1_error;} __Pyx_GOTREF(__pyx_t_1); __Pyx_XGOTREF(indirect); __Pyx_DECREF_SET(indirect, __pyx_t_1); __Pyx_GIVEREF(__pyx_t_1); __pyx_t_1 = 0; /* "View.MemoryView":287 * * * cdef contiguous = Enum("") # <<<<<<<<<<<<<< * cdef indirect_contiguous = Enum("") * */ __pyx_t_1 = PyObject_Call(((PyObject *)((PyObject *)__pyx_MemviewEnum_type)), ((PyObject *)__pyx_k_tuple_68), NULL); if (unlikely(!__pyx_t_1)) {__pyx_filename = __pyx_f[2]; __pyx_lineno = 287; __pyx_clineno = __LINE__; goto __pyx_L1_error;} __Pyx_GOTREF(__pyx_t_1); __Pyx_XGOTREF(contiguous); __Pyx_DECREF_SET(contiguous, __pyx_t_1); __Pyx_GIVEREF(__pyx_t_1); __pyx_t_1 = 0; /* "View.MemoryView":288 * * cdef contiguous = Enum("") * cdef indirect_contiguous = Enum("") # <<<<<<<<<<<<<< * * */ __pyx_t_1 = PyObject_Call(((PyObject *)((PyObject *)__pyx_MemviewEnum_type)), ((PyObject *)__pyx_k_tuple_70), NULL); if (unlikely(!__pyx_t_1)) {__pyx_filename = __pyx_f[2]; __pyx_lineno = 288; __pyx_clineno = __LINE__; goto __pyx_L1_error;} __Pyx_GOTREF(__pyx_t_1); __Pyx_XGOTREF(indirect_contiguous); __Pyx_DECREF_SET(indirect_contiguous, __pyx_t_1); __Pyx_GIVEREF(__pyx_t_1); __pyx_t_1 = 0; /* "View.MemoryView":503 * info.obj = self * * __pyx_getbuffer = capsule( &__pyx_memoryview_getbuffer, 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(PyDict_SetItem(__pyx_memoryviewslice_type->tp_dict, __pyx_n_s____pyx_getbuffer, __pyx_t_1) < 0) {__pyx_filename = __pyx_f[2]; __pyx_lineno = 958; __pyx_clineno = __LINE__; goto __pyx_L1_error;} __Pyx_DECREF(__pyx_t_1); __pyx_t_1 = 0; PyType_Modified(__pyx_memoryviewslice_type); /* "View.MemoryView":1365 * * @cname('__pyx_memoryview__slice_assign_scalar') * cdef void _slice_assign_scalar(char *data, Py_ssize_t *shape, # <<<<<<<<<<<<<< * Py_ssize_t *strides, int ndim, * size_t itemsize, void *item) nogil: */ goto __pyx_L0; __pyx_L1_error:; __Pyx_XDECREF(__pyx_t_1); __Pyx_XDECREF(__pyx_t_3); __Pyx_XDECREF(__pyx_t_4); if (__pyx_m) { __Pyx_AddTraceback("init _qhull64", __pyx_clineno, __pyx_lineno, __pyx_filename); Py_DECREF(__pyx_m); __pyx_m = 0; } else if (!PyErr_Occurred()) { PyErr_SetString(PyExc_ImportError, "init _qhull64"); } __pyx_L0:; __Pyx_RefNannyFinishContext(); #if PY_MAJOR_VERSION < 3 return; #else return __pyx_m; #endif } /* Runtime support code */ #if CYTHON_REFNANNY static __Pyx_RefNannyAPIStruct *__Pyx_RefNannyImportAPI(const char *modname) { PyObject *m = NULL, *p = NULL; void *r = NULL; m = PyImport_ImportModule((char *)modname); if (!m) goto end; p = PyObject_GetAttrString(m, (char *)"RefNannyAPI"); if (!p) goto end; r = PyLong_AsVoidPtr(p); end: Py_XDECREF(p); Py_XDECREF(m); return (__Pyx_RefNannyAPIStruct *)r; } #endif /* CYTHON_REFNANNY */ static PyObject *__Pyx_GetBuiltinName(PyObject *name) { PyObject* result = __Pyx_PyObject_GetAttrStr(__pyx_b, name); if (unlikely(!result)) { PyErr_Format(PyExc_NameError, #if PY_MAJOR_VERSION >= 3 "name '%U' is not defined", name); #else "name '%s' is not defined", PyString_AS_STRING(name)); #endif } return result; } static void __Pyx_RaiseArgtupleInvalid( const char* func_name, int exact, Py_ssize_t num_min, Py_ssize_t num_max, Py_ssize_t num_found) { Py_ssize_t num_expected; const char *more_or_less; if (num_found < num_min) { num_expected = num_min; more_or_less = "at least"; } else { num_expected = num_max; more_or_less = "at most"; } if (exact) { more_or_less = "exactly"; } PyErr_Format(PyExc_TypeError, "%s() takes %s %" CYTHON_FORMAT_SSIZE_T "d positional argument%s (%" CYTHON_FORMAT_SSIZE_T "d given)", func_name, more_or_less, num_expected, (num_expected == 1) ? "" : "s", num_found); } static void __Pyx_RaiseDoubleKeywordsError( const char* func_name, PyObject* kw_name) { PyErr_Format(PyExc_TypeError, #if PY_MAJOR_VERSION >= 3 "%s() got multiple values for keyword argument '%U'", func_name, kw_name); #else "%s() got multiple values for keyword argument '%s'", func_name, PyString_AsString(kw_name)); #endif } static int __Pyx_ParseOptionalKeywords( PyObject *kwds, PyObject **argnames[], PyObject *kwds2, PyObject *values[], Py_ssize_t num_pos_args, const char* function_name) { PyObject *key = 0, *value = 0; Py_ssize_t pos = 0; PyObject*** name; PyObject*** first_kw_arg = argnames + num_pos_args; while (PyDict_Next(kwds, &pos, &key, &value)) { name = first_kw_arg; while (*name && (**name != key)) name++; if (*name) { values[name-argnames] = value; continue; } name = first_kw_arg; #if PY_MAJOR_VERSION < 3 if (likely(PyString_CheckExact(key)) || likely(PyString_Check(key))) { while (*name) { if ((CYTHON_COMPILING_IN_PYPY || PyString_GET_SIZE(**name) == PyString_GET_SIZE(key)) && _PyString_Eq(**name, key)) { values[name-argnames] = value; break; } name++; } if (*name) continue; else { PyObject*** argname = argnames; while (argname != first_kw_arg) { if ((**argname == key) || ( (CYTHON_COMPILING_IN_PYPY || PyString_GET_SIZE(**argname) == PyString_GET_SIZE(key)) && _PyString_Eq(**argname, key))) { goto arg_passed_twice; } argname++; } } } else #endif if (likely(PyUnicode_Check(key))) { while (*name) { int cmp = (**name == key) ? 0 : #if !CYTHON_COMPILING_IN_PYPY && PY_MAJOR_VERSION >= 3 (PyUnicode_GET_SIZE(**name) != PyUnicode_GET_SIZE(key)) ? 1 : #endif PyUnicode_Compare(**name, key); if (cmp < 0 && unlikely(PyErr_Occurred())) goto bad; if (cmp == 0) { values[name-argnames] = value; break; } name++; } if (*name) continue; else { PyObject*** argname = argnames; while (argname != first_kw_arg) { int cmp = (**argname == key) ? 0 : #if !CYTHON_COMPILING_IN_PYPY && PY_MAJOR_VERSION >= 3 (PyUnicode_GET_SIZE(**argname) != PyUnicode_GET_SIZE(key)) ? 1 : #endif PyUnicode_Compare(**argname, key); if (cmp < 0 && unlikely(PyErr_Occurred())) goto bad; if (cmp == 0) goto arg_passed_twice; argname++; } } } else goto invalid_keyword_type; if (kwds2) { if (unlikely(PyDict_SetItem(kwds2, key, value))) goto bad; } else { goto invalid_keyword; } } return 0; arg_passed_twice: __Pyx_RaiseDoubleKeywordsError(function_name, key); goto bad; invalid_keyword_type: PyErr_Format(PyExc_TypeError, "%s() keywords must be strings", function_name); goto bad; invalid_keyword: PyErr_Format(PyExc_TypeError, #if PY_MAJOR_VERSION < 3 "%s() got an unexpected keyword argument '%s'", function_name, PyString_AsString(key)); #else "%s() got an unexpected keyword argument '%U'", function_name, key); #endif bad: return -1; } static int __Pyx_ArgTypeTest(PyObject *obj, PyTypeObject *type, int none_allowed, const char *name, int exact) { if (!type) { PyErr_Format(PyExc_SystemError, "Missing type object"); return 0; } if (none_allowed && obj == Py_None) return 1; else if (exact) { if (Py_TYPE(obj) == type) return 1; } else { if (PyObject_TypeCheck(obj, type)) return 1; } PyErr_Format(PyExc_TypeError, "Argument '%s' has incorrect type (expected %s, got %s)", name, type->tp_name, Py_TYPE(obj)->tp_name); return 0; } static CYTHON_INLINE int __Pyx_IsLittleEndian(void) { unsigned int n = 1; return *(unsigned char*)(&n) != 0; } static void __Pyx_BufFmt_Init(__Pyx_BufFmt_Context* ctx, __Pyx_BufFmt_StackElem* stack, __Pyx_TypeInfo* type) { stack[0].field = &ctx->root; stack[0].parent_offset = 0; ctx->root.type = type; ctx->root.name = "buffer dtype"; ctx->root.offset = 0; ctx->head = stack; ctx->head->field = &ctx->root; ctx->fmt_offset = 0; ctx->head->parent_offset = 0; ctx->new_packmode = '@'; ctx->enc_packmode = '@'; ctx->new_count = 1; ctx->enc_count = 0; ctx->enc_type = 0; ctx->is_complex = 0; ctx->is_valid_array = 0; ctx->struct_alignment = 0; while (type->typegroup == 'S') { ++ctx->head; ctx->head->field = type->fields; ctx->head->parent_offset = 0; type = type->fields->type; } } static int __Pyx_BufFmt_ParseNumber(const char** ts) { int count; const char* t = *ts; if (*t < '0' || *t > '9') { return -1; } else { count = *t++ - '0'; while (*t >= '0' && *t < '9') { count *= 10; count += *t++ - '0'; } } *ts = t; return count; } static int __Pyx_BufFmt_ExpectNumber(const char **ts) { int number = __Pyx_BufFmt_ParseNumber(ts); if (number == -1) /* First char was not a digit */ PyErr_Format(PyExc_ValueError,\ "Does not understand character buffer dtype format string ('%c')", **ts); return number; } static void __Pyx_BufFmt_RaiseUnexpectedChar(char ch) { PyErr_Format(PyExc_ValueError, "Unexpected format string character: '%c'", ch); } static const char* __Pyx_BufFmt_DescribeTypeChar(char ch, int is_complex) { switch (ch) { case 'c': return "'char'"; case 'b': return "'signed char'"; case 'B': return "'unsigned char'"; case 'h': return "'short'"; case 'H': return "'unsigned short'"; case 'i': return "'int'"; case 'I': return "'unsigned int'"; case 'l': return "'long'"; case 'L': return "'unsigned long'"; case 'q': return "'long long'"; case 'Q': return "'unsigned long long'"; case 'f': return (is_complex ? "'complex float'" : "'float'"); case 'd': return (is_complex ? "'complex double'" : "'double'"); case 'g': return (is_complex ? "'complex long double'" : "'long double'"); case 'T': return "a struct"; case 'O': return "Python object"; case 'P': return "a pointer"; case 's': case 'p': return "a string"; case 0: return "end"; default: return "unparseable format string"; } } static size_t __Pyx_BufFmt_TypeCharToStandardSize(char ch, int is_complex) { switch (ch) { case '?': case 'c': case 'b': case 'B': case 's': case 'p': return 1; case 'h': case 'H': return 2; case 'i': case 'I': case 'l': case 'L': return 4; case 'q': case 'Q': return 8; case 'f': return (is_complex ? 8 : 4); case 'd': return (is_complex ? 16 : 8); case 'g': { PyErr_SetString(PyExc_ValueError, "Python does not define a standard format string size for long double ('g').."); return 0; } case 'O': case 'P': return sizeof(void*); default: __Pyx_BufFmt_RaiseUnexpectedChar(ch); return 0; } } static size_t __Pyx_BufFmt_TypeCharToNativeSize(char ch, int is_complex) { switch (ch) { case 'c': case 'b': case 'B': case 's': case 'p': return 1; case 'h': case 'H': return sizeof(short); case 'i': case 'I': return sizeof(int); case 'l': case 'L': return sizeof(long); #ifdef HAVE_LONG_LONG case 'q': case 'Q': return sizeof(PY_LONG_LONG); #endif case 'f': return sizeof(float) * (is_complex ? 2 : 1); case 'd': return sizeof(double) * (is_complex ? 2 : 1); case 'g': return sizeof(long double) * (is_complex ? 2 : 1); case 'O': case 'P': return sizeof(void*); default: { __Pyx_BufFmt_RaiseUnexpectedChar(ch); return 0; } } } typedef struct { char c; short x; } __Pyx_st_short; typedef struct { char c; int x; } __Pyx_st_int; typedef struct { char c; long x; } __Pyx_st_long; typedef struct { char c; float x; } __Pyx_st_float; typedef struct { char c; double x; } __Pyx_st_double; typedef struct { char c; long double x; } __Pyx_st_longdouble; typedef struct { char c; void *x; } __Pyx_st_void_p; #ifdef HAVE_LONG_LONG typedef struct { char c; PY_LONG_LONG x; } __Pyx_st_longlong; #endif static size_t __Pyx_BufFmt_TypeCharToAlignment(char ch, CYTHON_UNUSED int is_complex) { switch (ch) { case '?': case 'c': case 'b': case 'B': case 's': case 'p': return 1; case 'h': case 'H': return sizeof(__Pyx_st_short) - sizeof(short); case 'i': case 'I': return sizeof(__Pyx_st_int) - sizeof(int); case 'l': case 'L': return sizeof(__Pyx_st_long) - sizeof(long); #ifdef HAVE_LONG_LONG case 'q': case 'Q': return sizeof(__Pyx_st_longlong) - sizeof(PY_LONG_LONG); #endif case 'f': return sizeof(__Pyx_st_float) - sizeof(float); case 'd': return sizeof(__Pyx_st_double) - sizeof(double); case 'g': return sizeof(__Pyx_st_longdouble) - sizeof(long double); case 'P': case 'O': return sizeof(__Pyx_st_void_p) - sizeof(void*); default: __Pyx_BufFmt_RaiseUnexpectedChar(ch); return 0; } } /* These are for computing the padding at the end of the struct to align on the first member of the struct. This will probably the same as above, but we don't have any guarantees. */ typedef struct { short x; char c; } __Pyx_pad_short; typedef struct { int x; char c; } __Pyx_pad_int; typedef struct { long x; char c; } __Pyx_pad_long; typedef struct { float x; char c; } __Pyx_pad_float; typedef struct { double x; char c; } __Pyx_pad_double; typedef struct { long double x; char c; } __Pyx_pad_longdouble; typedef struct { void *x; char c; } __Pyx_pad_void_p; #ifdef HAVE_LONG_LONG typedef struct { PY_LONG_LONG x; char c; } __Pyx_pad_longlong; #endif static size_t __Pyx_BufFmt_TypeCharToPadding(char ch, CYTHON_UNUSED int is_complex) { switch (ch) { case '?': case 'c': case 'b': case 'B': case 's': case 'p': return 1; case 'h': case 'H': return sizeof(__Pyx_pad_short) - sizeof(short); case 'i': case 'I': return sizeof(__Pyx_pad_int) - sizeof(int); case 'l': case 'L': return sizeof(__Pyx_pad_long) - sizeof(long); #ifdef HAVE_LONG_LONG case 'q': case 'Q': return sizeof(__Pyx_pad_longlong) - sizeof(PY_LONG_LONG); #endif case 'f': return sizeof(__Pyx_pad_float) - sizeof(float); case 'd': return sizeof(__Pyx_pad_double) - sizeof(double); case 'g': return sizeof(__Pyx_pad_longdouble) - sizeof(long double); case 'P': case 'O': return sizeof(__Pyx_pad_void_p) - sizeof(void*); default: __Pyx_BufFmt_RaiseUnexpectedChar(ch); return 0; } } static char __Pyx_BufFmt_TypeCharToGroup(char ch, int is_complex) { switch (ch) { case 'c': return 'H'; case 'b': case 'h': case 'i': case 'l': case 'q': case 's': case 'p': return 'I'; case 'B': case 'H': case 'I': case 'L': case 'Q': return 'U'; case 'f': case 'd': case 'g': return (is_complex ? 'C' : 'R'); case 'O': return 'O'; case 'P': return 'P'; default: { __Pyx_BufFmt_RaiseUnexpectedChar(ch); return 0; } } } static void __Pyx_BufFmt_RaiseExpected(__Pyx_BufFmt_Context* ctx) { if (ctx->head == NULL || ctx->head->field == &ctx->root) { const char* expected; const char* quote; if (ctx->head == NULL) { expected = "end"; quote = ""; } else { expected = ctx->head->field->type->name; quote = "'"; } PyErr_Format(PyExc_ValueError, "Buffer dtype mismatch, expected %s%s%s but got %s", quote, expected, quote, __Pyx_BufFmt_DescribeTypeChar(ctx->enc_type, ctx->is_complex)); } else { __Pyx_StructField* field = ctx->head->field; __Pyx_StructField* parent = (ctx->head - 1)->field; PyErr_Format(PyExc_ValueError, "Buffer dtype mismatch, expected '%s' but got %s in '%s.%s'", field->type->name, __Pyx_BufFmt_DescribeTypeChar(ctx->enc_type, ctx->is_complex), parent->type->name, field->name); } } static int __Pyx_BufFmt_ProcessTypeChunk(__Pyx_BufFmt_Context* ctx) { char group; size_t size, offset, arraysize = 1; if (ctx->enc_type == 0) return 0; if (ctx->head->field->type->arraysize[0]) { int i, ndim = 0; if (ctx->enc_type == 's' || ctx->enc_type == 'p') { ctx->is_valid_array = ctx->head->field->type->ndim == 1; ndim = 1; if (ctx->enc_count != ctx->head->field->type->arraysize[0]) { PyErr_Format(PyExc_ValueError, "Expected a dimension of size %zu, got %zu", ctx->head->field->type->arraysize[0], ctx->enc_count); return -1; } } if (!ctx->is_valid_array) { PyErr_Format(PyExc_ValueError, "Expected %d dimensions, got %d", ctx->head->field->type->ndim, ndim); return -1; } for (i = 0; i < ctx->head->field->type->ndim; i++) { arraysize *= ctx->head->field->type->arraysize[i]; } ctx->is_valid_array = 0; ctx->enc_count = 1; } group = __Pyx_BufFmt_TypeCharToGroup(ctx->enc_type, ctx->is_complex); do { __Pyx_StructField* field = ctx->head->field; __Pyx_TypeInfo* type = field->type; if (ctx->enc_packmode == '@' || ctx->enc_packmode == '^') { size = __Pyx_BufFmt_TypeCharToNativeSize(ctx->enc_type, ctx->is_complex); } else { size = __Pyx_BufFmt_TypeCharToStandardSize(ctx->enc_type, ctx->is_complex); } if (ctx->enc_packmode == '@') { size_t align_at = __Pyx_BufFmt_TypeCharToAlignment(ctx->enc_type, ctx->is_complex); size_t align_mod_offset; if (align_at == 0) return -1; align_mod_offset = ctx->fmt_offset % align_at; if (align_mod_offset > 0) ctx->fmt_offset += align_at - align_mod_offset; if (ctx->struct_alignment == 0) ctx->struct_alignment = __Pyx_BufFmt_TypeCharToPadding(ctx->enc_type, ctx->is_complex); } if (type->size != size || type->typegroup != group) { if (type->typegroup == 'C' && type->fields != NULL) { size_t parent_offset = ctx->head->parent_offset + field->offset; ++ctx->head; ctx->head->field = type->fields; ctx->head->parent_offset = parent_offset; continue; } if ((type->typegroup == 'H' || group == 'H') && type->size == size) { } else { __Pyx_BufFmt_RaiseExpected(ctx); return -1; } } offset = ctx->head->parent_offset + field->offset; if (ctx->fmt_offset != offset) { PyErr_Format(PyExc_ValueError, "Buffer dtype mismatch; next field is at offset %" CYTHON_FORMAT_SSIZE_T "d but %" CYTHON_FORMAT_SSIZE_T "d expected", (Py_ssize_t)ctx->fmt_offset, (Py_ssize_t)offset); return -1; } ctx->fmt_offset += size; if (arraysize) ctx->fmt_offset += (arraysize - 1) * size; --ctx->enc_count; /* Consume from buffer string */ while (1) { if (field == &ctx->root) { ctx->head = NULL; if (ctx->enc_count != 0) { __Pyx_BufFmt_RaiseExpected(ctx); return -1; } break; /* breaks both loops as ctx->enc_count == 0 */ } ctx->head->field = ++field; if (field->type == NULL) { --ctx->head; field = ctx->head->field; continue; } else if (field->type->typegroup == 'S') { size_t parent_offset = ctx->head->parent_offset + field->offset; if (field->type->fields->type == NULL) continue; /* empty struct */ field = field->type->fields; ++ctx->head; ctx->head->field = field; ctx->head->parent_offset = parent_offset; break; } else { break; } } } while (ctx->enc_count); ctx->enc_type = 0; ctx->is_complex = 0; return 0; } static CYTHON_INLINE PyObject * __pyx_buffmt_parse_array(__Pyx_BufFmt_Context* ctx, const char** tsp) { const char *ts = *tsp; int i = 0, number; int ndim = ctx->head->field->type->ndim; ; ++ts; if (ctx->new_count != 1) { PyErr_SetString(PyExc_ValueError, "Cannot handle repeated arrays in format string"); return NULL; } if (__Pyx_BufFmt_ProcessTypeChunk(ctx) == -1) return NULL; while (*ts && *ts != ')') { if (isspace(*ts)) continue; number = __Pyx_BufFmt_ExpectNumber(&ts); if (number == -1) return NULL; if (i < ndim && (size_t) number != ctx->head->field->type->arraysize[i]) return PyErr_Format(PyExc_ValueError, "Expected a dimension of size %zu, got %d", ctx->head->field->type->arraysize[i], number); if (*ts != ',' && *ts != ')') return PyErr_Format(PyExc_ValueError, "Expected a comma in format string, got '%c'", *ts); if (*ts == ',') ts++; i++; } if (i != ndim) return PyErr_Format(PyExc_ValueError, "Expected %d dimension(s), got %d", ctx->head->field->type->ndim, i); if (!*ts) { PyErr_SetString(PyExc_ValueError, "Unexpected end of format string, expected ')'"); return NULL; } ctx->is_valid_array = 1; ctx->new_count = 1; *tsp = ++ts; return Py_None; } static const char* __Pyx_BufFmt_CheckString(__Pyx_BufFmt_Context* ctx, const char* ts) { int got_Z = 0; while (1) { switch(*ts) { case 0: if (ctx->enc_type != 0 && ctx->head == NULL) { __Pyx_BufFmt_RaiseExpected(ctx); return NULL; } if (__Pyx_BufFmt_ProcessTypeChunk(ctx) == -1) return NULL; if (ctx->head != NULL) { __Pyx_BufFmt_RaiseExpected(ctx); return NULL; } return ts; case ' ': case 10: case 13: ++ts; break; case '<': if (!__Pyx_IsLittleEndian()) { PyErr_SetString(PyExc_ValueError, "Little-endian buffer not supported on big-endian compiler"); return NULL; } ctx->new_packmode = '='; ++ts; break; case '>': case '!': if (__Pyx_IsLittleEndian()) { PyErr_SetString(PyExc_ValueError, "Big-endian buffer not supported on little-endian compiler"); return NULL; } ctx->new_packmode = '='; ++ts; break; case '=': case '@': case '^': ctx->new_packmode = *ts++; break; case 'T': /* substruct */ { const char* ts_after_sub; size_t i, struct_count = ctx->new_count; size_t struct_alignment = ctx->struct_alignment; ctx->new_count = 1; ++ts; if (*ts != '{') { PyErr_SetString(PyExc_ValueError, "Buffer acquisition: Expected '{' after 'T'"); return NULL; } if (__Pyx_BufFmt_ProcessTypeChunk(ctx) == -1) return NULL; ctx->enc_type = 0; /* Erase processed last struct element */ ctx->enc_count = 0; ctx->struct_alignment = 0; ++ts; ts_after_sub = ts; for (i = 0; i != struct_count; ++i) { ts_after_sub = __Pyx_BufFmt_CheckString(ctx, ts); if (!ts_after_sub) return NULL; } ts = ts_after_sub; if (struct_alignment) ctx->struct_alignment = struct_alignment; } break; case '}': /* end of substruct; either repeat or move on */ { size_t alignment = ctx->struct_alignment; ++ts; if (__Pyx_BufFmt_ProcessTypeChunk(ctx) == -1) return NULL; ctx->enc_type = 0; /* Erase processed last struct element */ if (alignment && ctx->fmt_offset % alignment) { ctx->fmt_offset += alignment - (ctx->fmt_offset % alignment); } } return ts; case 'x': if (__Pyx_BufFmt_ProcessTypeChunk(ctx) == -1) return NULL; ctx->fmt_offset += ctx->new_count; ctx->new_count = 1; ctx->enc_count = 0; ctx->enc_type = 0; ctx->enc_packmode = ctx->new_packmode; ++ts; break; case 'Z': got_Z = 1; ++ts; if (*ts != 'f' && *ts != 'd' && *ts != 'g') { __Pyx_BufFmt_RaiseUnexpectedChar('Z'); return NULL; } /* fall through */ case 'c': case 'b': case 'B': case 'h': case 'H': case 'i': case 'I': case 'l': case 'L': case 'q': case 'Q': case 'f': case 'd': case 'g': case 'O': case 's': case 'p': if (ctx->enc_type == *ts && got_Z == ctx->is_complex && ctx->enc_packmode == ctx->new_packmode) { ctx->enc_count += ctx->new_count; } else { if (__Pyx_BufFmt_ProcessTypeChunk(ctx) == -1) return NULL; ctx->enc_count = ctx->new_count; ctx->enc_packmode = ctx->new_packmode; ctx->enc_type = *ts; ctx->is_complex = got_Z; } ++ts; ctx->new_count = 1; got_Z = 0; break; case ':': ++ts; while(*ts != ':') ++ts; ++ts; break; case '(': if (!__pyx_buffmt_parse_array(ctx, &ts)) return NULL; break; default: { int number = __Pyx_BufFmt_ExpectNumber(&ts); if (number == -1) return NULL; ctx->new_count = (size_t)number; } } } } static CYTHON_INLINE void __Pyx_ZeroBuffer(Py_buffer* buf) { buf->buf = NULL; buf->obj = NULL; buf->strides = __Pyx_zeros; buf->shape = __Pyx_zeros; buf->suboffsets = __Pyx_minusones; } static CYTHON_INLINE int __Pyx_GetBufferAndValidate( Py_buffer* buf, PyObject* obj, __Pyx_TypeInfo* dtype, int flags, int nd, int cast, __Pyx_BufFmt_StackElem* stack) { if (obj == Py_None || obj == NULL) { __Pyx_ZeroBuffer(buf); return 0; } buf->buf = NULL; if (__Pyx_GetBuffer(obj, buf, flags) == -1) goto fail; if (buf->ndim != nd) { PyErr_Format(PyExc_ValueError, "Buffer has wrong number of dimensions (expected %d, got %d)", nd, buf->ndim); goto fail; } if (!cast) { __Pyx_BufFmt_Context ctx; __Pyx_BufFmt_Init(&ctx, stack, dtype); if (!__Pyx_BufFmt_CheckString(&ctx, buf->format)) goto fail; } if ((unsigned)buf->itemsize != dtype->size) { PyErr_Format(PyExc_ValueError, "Item size of buffer (%" CYTHON_FORMAT_SSIZE_T "d byte%s) does not match size of '%s' (%" CYTHON_FORMAT_SSIZE_T "d byte%s)", buf->itemsize, (buf->itemsize > 1) ? "s" : "", dtype->name, (Py_ssize_t)dtype->size, (dtype->size > 1) ? "s" : ""); goto fail; } if (buf->suboffsets == NULL) buf->suboffsets = __Pyx_minusones; return 0; fail:; __Pyx_ZeroBuffer(buf); return -1; } static CYTHON_INLINE void __Pyx_SafeReleaseBuffer(Py_buffer* info) { if (info->buf == NULL) return; if (info->suboffsets == __Pyx_minusones) info->suboffsets = NULL; __Pyx_ReleaseBuffer(info); } static CYTHON_INLINE PyObject *__Pyx_GetModuleGlobalName(PyObject *name) { PyObject *result; #if CYTHON_COMPILING_IN_CPYTHON result = PyDict_GetItem(__pyx_d, name); if (result) { Py_INCREF(result); } else { #else result = PyObject_GetItem(__pyx_d, name); if (!result) { PyErr_Clear(); #endif result = __Pyx_GetBuiltinName(name); } return result; } static CYTHON_INLINE PyObject *__Pyx_GetItemInt_Generic(PyObject *o, PyObject* j) { PyObject *r; if (!j) return NULL; r = PyObject_GetItem(o, j); Py_DECREF(j); return r; } static CYTHON_INLINE PyObject *__Pyx_GetItemInt_List_Fast(PyObject *o, Py_ssize_t i, int wraparound, int boundscheck) { #if CYTHON_COMPILING_IN_CPYTHON if (wraparound & unlikely(i < 0)) i += PyList_GET_SIZE(o); if ((!boundscheck) || likely((0 <= i) & (i < PyList_GET_SIZE(o)))) { PyObject *r = PyList_GET_ITEM(o, i); Py_INCREF(r); return r; } return __Pyx_GetItemInt_Generic(o, PyInt_FromSsize_t(i)); #else return PySequence_GetItem(o, i); #endif } static CYTHON_INLINE PyObject *__Pyx_GetItemInt_Tuple_Fast(PyObject *o, Py_ssize_t i, int wraparound, int boundscheck) { #if CYTHON_COMPILING_IN_CPYTHON if (wraparound & unlikely(i < 0)) i += PyTuple_GET_SIZE(o); if ((!boundscheck) || likely((0 <= i) & (i < PyTuple_GET_SIZE(o)))) { PyObject *r = PyTuple_GET_ITEM(o, i); Py_INCREF(r); return r; } return __Pyx_GetItemInt_Generic(o, PyInt_FromSsize_t(i)); #else return PySequence_GetItem(o, i); #endif } static CYTHON_INLINE PyObject *__Pyx_GetItemInt_Fast(PyObject *o, Py_ssize_t i, int is_list, int wraparound, int boundscheck) { #if CYTHON_COMPILING_IN_CPYTHON if (is_list || PyList_CheckExact(o)) { Py_ssize_t n = ((!wraparound) | likely(i >= 0)) ? i : i + PyList_GET_SIZE(o); if ((!boundscheck) || (likely((n >= 0) & (n < PyList_GET_SIZE(o))))) { PyObject *r = PyList_GET_ITEM(o, n); Py_INCREF(r); return r; } } else if (PyTuple_CheckExact(o)) { Py_ssize_t n = ((!wraparound) | likely(i >= 0)) ? i : i + PyTuple_GET_SIZE(o); if ((!boundscheck) || likely((n >= 0) & (n < PyTuple_GET_SIZE(o)))) { PyObject *r = PyTuple_GET_ITEM(o, n); Py_INCREF(r); return r; } } else { PySequenceMethods *m = Py_TYPE(o)->tp_as_sequence; if (likely(m && m->sq_item)) { if (wraparound && unlikely(i < 0) && likely(m->sq_length)) { Py_ssize_t l = m->sq_length(o); if (likely(l >= 0)) { i += l; } else { if (PyErr_ExceptionMatches(PyExc_OverflowError)) PyErr_Clear(); else return NULL; } } return m->sq_item(o, i); } } #else if (is_list || PySequence_Check(o)) { return PySequence_GetItem(o, i); } #endif return __Pyx_GetItemInt_Generic(o, PyInt_FromSsize_t(i)); } static CYTHON_INLINE void __Pyx_ErrRestore(PyObject *type, PyObject *value, PyObject *tb) { #if CYTHON_COMPILING_IN_CPYTHON PyObject *tmp_type, *tmp_value, *tmp_tb; PyThreadState *tstate = PyThreadState_GET(); tmp_type = tstate->curexc_type; tmp_value = tstate->curexc_value; tmp_tb = tstate->curexc_traceback; tstate->curexc_type = type; tstate->curexc_value = value; tstate->curexc_traceback = tb; Py_XDECREF(tmp_type); Py_XDECREF(tmp_value); Py_XDECREF(tmp_tb); #else PyErr_Restore(type, value, tb); #endif } static CYTHON_INLINE void __Pyx_ErrFetch(PyObject **type, PyObject **value, PyObject **tb) { #if CYTHON_COMPILING_IN_CPYTHON PyThreadState *tstate = PyThreadState_GET(); *type = tstate->curexc_type; *value = tstate->curexc_value; *tb = tstate->curexc_traceback; tstate->curexc_type = 0; tstate->curexc_value = 0; tstate->curexc_traceback = 0; #else PyErr_Fetch(type, value, tb); #endif } #if PY_MAJOR_VERSION < 3 static void __Pyx_Raise(PyObject *type, PyObject *value, PyObject *tb, CYTHON_UNUSED PyObject *cause) { Py_XINCREF(type); if (!value || value == Py_None) value = NULL; else Py_INCREF(value); if (!tb || tb == Py_None) tb = NULL; else { Py_INCREF(tb); if (!PyTraceBack_Check(tb)) { PyErr_SetString(PyExc_TypeError, "raise: arg 3 must be a traceback or None"); goto raise_error; } } #if PY_VERSION_HEX < 0x02050000 if (PyClass_Check(type)) { #else if (PyType_Check(type)) { #endif #if CYTHON_COMPILING_IN_PYPY if (!value) { Py_INCREF(Py_None); value = Py_None; } #endif PyErr_NormalizeException(&type, &value, &tb); } else { if (value) { PyErr_SetString(PyExc_TypeError, "instance exception may not have a separate value"); goto raise_error; } value = type; #if PY_VERSION_HEX < 0x02050000 if (PyInstance_Check(type)) { type = (PyObject*) ((PyInstanceObject*)type)->in_class; Py_INCREF(type); } else { type = 0; PyErr_SetString(PyExc_TypeError, "raise: exception must be an old-style class or instance"); goto raise_error; } #else type = (PyObject*) Py_TYPE(type); Py_INCREF(type); if (!PyType_IsSubtype((PyTypeObject *)type, (PyTypeObject *)PyExc_BaseException)) { PyErr_SetString(PyExc_TypeError, "raise: exception class must be a subclass of BaseException"); goto raise_error; } #endif } __Pyx_ErrRestore(type, value, tb); return; raise_error: Py_XDECREF(value); Py_XDECREF(type); Py_XDECREF(tb); return; } #else /* Python 3+ */ static void __Pyx_Raise(PyObject *type, PyObject *value, PyObject *tb, PyObject *cause) { PyObject* owned_instance = NULL; if (tb == Py_None) { tb = 0; } else if (tb && !PyTraceBack_Check(tb)) { PyErr_SetString(PyExc_TypeError, "raise: arg 3 must be a traceback or None"); goto bad; } if (value == Py_None) value = 0; if (PyExceptionInstance_Check(type)) { if (value) { PyErr_SetString(PyExc_TypeError, "instance exception may not have a separate value"); goto bad; } value = type; type = (PyObject*) Py_TYPE(value); } else if (PyExceptionClass_Check(type)) { PyObject *args; if (!value) args = PyTuple_New(0); else if (PyTuple_Check(value)) { Py_INCREF(value); args = value; } else args = PyTuple_Pack(1, value); if (!args) goto bad; owned_instance = PyEval_CallObject(type, args); Py_DECREF(args); if (!owned_instance) goto bad; value = owned_instance; if (!PyExceptionInstance_Check(value)) { PyErr_Format(PyExc_TypeError, "calling %R should have returned an instance of " "BaseException, not %R", type, Py_TYPE(value)); goto bad; } } else { PyErr_SetString(PyExc_TypeError, "raise: exception class must be a subclass of BaseException"); goto bad; } #if PY_VERSION_HEX >= 0x03030000 if (cause) { #else if (cause && cause != Py_None) { #endif PyObject *fixed_cause; if (cause == Py_None) { fixed_cause = NULL; } else if (PyExceptionClass_Check(cause)) { fixed_cause = PyObject_CallObject(cause, NULL); if (fixed_cause == NULL) goto bad; } else if (PyExceptionInstance_Check(cause)) { fixed_cause = cause; Py_INCREF(fixed_cause); } else { PyErr_SetString(PyExc_TypeError, "exception causes must derive from " "BaseException"); goto bad; } PyException_SetCause(value, fixed_cause); } PyErr_SetObject(type, value); if (tb) { PyThreadState *tstate = PyThreadState_GET(); PyObject* tmp_tb = tstate->curexc_traceback; if (tb != tmp_tb) { Py_INCREF(tb); tstate->curexc_traceback = tb; Py_XDECREF(tmp_tb); } } bad: Py_XDECREF(owned_instance); return; } #endif static int __Pyx_init_memviewslice(struct __pyx_memoryview_obj *memview, int ndim, __Pyx_memviewslice *memviewslice, int memview_is_new_reference) { __Pyx_RefNannyDeclarations int i, retval=-1; Py_buffer *buf = &memview->view; __Pyx_RefNannySetupContext("init_memviewslice", 0); if (!buf) { PyErr_SetString(PyExc_ValueError, "buf is NULL."); goto fail; } else if (memviewslice->memview || memviewslice->data) { PyErr_SetString(PyExc_ValueError, "memviewslice is already initialized!"); goto fail; } if (buf->strides) { for (i = 0; i < ndim; i++) { memviewslice->strides[i] = buf->strides[i]; } } else { Py_ssize_t stride = buf->itemsize; for (i = ndim - 1; i >= 0; i--) { memviewslice->strides[i] = stride; stride *= buf->shape[i]; } } for (i = 0; i < ndim; i++) { memviewslice->shape[i] = buf->shape[i]; if (buf->suboffsets) { memviewslice->suboffsets[i] = buf->suboffsets[i]; } else { memviewslice->suboffsets[i] = -1; } } memviewslice->memview = memview; memviewslice->data = (char *)buf->buf; if (__pyx_add_acquisition_count(memview) == 0 && !memview_is_new_reference) { Py_INCREF(memview); } retval = 0; goto no_fail; fail: memviewslice->memview = 0; memviewslice->data = 0; retval = -1; no_fail: __Pyx_RefNannyFinishContext(); return retval; } static CYTHON_INLINE void __pyx_fatalerror(const char *fmt, ...) { va_list vargs; char msg[200]; va_start(vargs, fmt); #ifdef HAVE_STDARG_PROTOTYPES va_start(vargs, fmt); #else va_start(vargs); #endif vsnprintf(msg, 200, fmt, vargs); Py_FatalError(msg); va_end(vargs); } static CYTHON_INLINE int __pyx_add_acquisition_count_locked(__pyx_atomic_int *acquisition_count, PyThread_type_lock lock) { int result; PyThread_acquire_lock(lock, 1); result = (*acquisition_count)++; PyThread_release_lock(lock); return result; } static CYTHON_INLINE int __pyx_sub_acquisition_count_locked(__pyx_atomic_int *acquisition_count, PyThread_type_lock lock) { int result; PyThread_acquire_lock(lock, 1); result = (*acquisition_count)--; PyThread_release_lock(lock); return result; } static CYTHON_INLINE void __Pyx_INC_MEMVIEW(__Pyx_memviewslice *memslice, int have_gil, int lineno) { int first_time; struct __pyx_memoryview_obj *memview = memslice->memview; if (!memview || (PyObject *) memview == Py_None) return; /* allow uninitialized memoryview assignment */ if (__pyx_get_slice_count(memview) < 0) __pyx_fatalerror("Acquisition count is %d (line %d)", __pyx_get_slice_count(memview), lineno); first_time = __pyx_add_acquisition_count(memview) == 0; if (first_time) { if (have_gil) { Py_INCREF((PyObject *) memview); } else { PyGILState_STATE _gilstate = PyGILState_Ensure(); Py_INCREF((PyObject *) memview); PyGILState_Release(_gilstate); } } } static CYTHON_INLINE void __Pyx_XDEC_MEMVIEW(__Pyx_memviewslice *memslice, int have_gil, int lineno) { int last_time; struct __pyx_memoryview_obj *memview = memslice->memview; if (!memview ) { return; } else if ((PyObject *) memview == Py_None) { memslice->memview = NULL; return; } if (__pyx_get_slice_count(memview) <= 0) __pyx_fatalerror("Acquisition count is %d (line %d)", __pyx_get_slice_count(memview), lineno); last_time = __pyx_sub_acquisition_count(memview) == 1; memslice->data = NULL; if (last_time) { if (have_gil) { Py_CLEAR(memslice->memview); } else { PyGILState_STATE _gilstate = PyGILState_Ensure(); Py_CLEAR(memslice->memview); PyGILState_Release(_gilstate); } } else { memslice->memview = NULL; } } static CYTHON_INLINE void __Pyx_RaiseTooManyValuesError(Py_ssize_t expected) { PyErr_Format(PyExc_ValueError, "too many values to unpack (expected %" CYTHON_FORMAT_SSIZE_T "d)", expected); } static CYTHON_INLINE void __Pyx_RaiseNeedMoreValuesError(Py_ssize_t index) { PyErr_Format(PyExc_ValueError, "need more than %" CYTHON_FORMAT_SSIZE_T "d value%s to unpack", index, (index == 1) ? "" : "s"); } static CYTHON_INLINE void __Pyx_RaiseNoneNotIterableError(void) { PyErr_SetString(PyExc_TypeError, "'NoneType' object is not iterable"); } static CYTHON_INLINE int __Pyx_IterFinish(void) { #if CYTHON_COMPILING_IN_CPYTHON PyThreadState *tstate = PyThreadState_GET(); PyObject* exc_type = tstate->curexc_type; if (unlikely(exc_type)) { if (likely(exc_type == PyExc_StopIteration) || PyErr_GivenExceptionMatches(exc_type, PyExc_StopIteration)) { PyObject *exc_value, *exc_tb; exc_value = tstate->curexc_value; exc_tb = tstate->curexc_traceback; tstate->curexc_type = 0; tstate->curexc_value = 0; tstate->curexc_traceback = 0; Py_DECREF(exc_type); Py_XDECREF(exc_value); Py_XDECREF(exc_tb); return 0; } else { return -1; } } return 0; #else if (unlikely(PyErr_Occurred())) { if (likely(PyErr_ExceptionMatches(PyExc_StopIteration))) { PyErr_Clear(); return 0; } else { return -1; } } return 0; #endif } static int __Pyx_IternextUnpackEndCheck(PyObject *retval, Py_ssize_t expected) { if (unlikely(retval)) { Py_DECREF(retval); __Pyx_RaiseTooManyValuesError(expected); return -1; } else { return __Pyx_IterFinish(); } return 0; } static CYTHON_INLINE int __Pyx_TypeTest(PyObject *obj, PyTypeObject *type) { if (unlikely(!type)) { PyErr_Format(PyExc_SystemError, "Missing type object"); return 0; } if (likely(PyObject_TypeCheck(obj, type))) return 1; PyErr_Format(PyExc_TypeError, "Cannot convert %.200s to %.200s", Py_TYPE(obj)->tp_name, type->tp_name); return 0; } static CYTHON_INLINE PyObject *__Pyx_GetAttr(PyObject *o, PyObject *n) { #if CYTHON_COMPILING_IN_CPYTHON #if PY_MAJOR_VERSION >= 3 if (likely(PyUnicode_Check(n))) #else if (likely(PyString_Check(n))) #endif return __Pyx_PyObject_GetAttrStr(o, n); #endif return PyObject_GetAttr(o, n); } static CYTHON_INLINE PyObject *__Pyx_GetAttr3(PyObject *o, PyObject *n, PyObject *d) { PyObject *r = __Pyx_GetAttr(o, n); if (!r) { if (!PyErr_ExceptionMatches(PyExc_AttributeError)) goto bad; PyErr_Clear(); r = d; Py_INCREF(d); } return r; bad: return NULL; } static CYTHON_INLINE Py_ssize_t __Pyx_div_Py_ssize_t(Py_ssize_t a, Py_ssize_t b) { Py_ssize_t q = a / b; Py_ssize_t r = a - q*b; q -= ((r != 0) & ((r ^ b) < 0)); return q; } static CYTHON_INLINE int __Pyx_PyUnicode_Equals(PyObject* s1, PyObject* s2, int equals) { #if CYTHON_COMPILING_IN_PYPY return PyObject_RichCompareBool(s1, s2, equals); #else if (s1 == s2) { return (equals == Py_EQ); } else if (PyUnicode_CheckExact(s1) & PyUnicode_CheckExact(s2)) { #if CYTHON_PEP393_ENABLED if ((PyUnicode_READY(s1) < 0) || (PyUnicode_READY(s2) < 0)) return -1; if (PyUnicode_GET_LENGTH(s1) != PyUnicode_GET_LENGTH(s2)) { return (equals == Py_NE); } else if (PyUnicode_GET_LENGTH(s1) == 1) { Py_UCS4 ch1 = PyUnicode_READ_CHAR(s1, 0); Py_UCS4 ch2 = PyUnicode_READ_CHAR(s2, 0); return (equals == Py_EQ) ? (ch1 == ch2) : (ch1 != ch2); #else if (PyUnicode_GET_SIZE(s1) != PyUnicode_GET_SIZE(s2)) { return (equals == Py_NE); } else if (PyUnicode_GET_SIZE(s1) == 1) { Py_UNICODE ch1 = PyUnicode_AS_UNICODE(s1)[0]; Py_UNICODE ch2 = PyUnicode_AS_UNICODE(s2)[0]; return (equals == Py_EQ) ? (ch1 == ch2) : (ch1 != ch2); #endif } else { int result = PyUnicode_Compare(s1, s2); if ((result == -1) && unlikely(PyErr_Occurred())) return -1; return (equals == Py_EQ) ? (result == 0) : (result != 0); } } else if ((s1 == Py_None) & PyUnicode_CheckExact(s2)) { return (equals == Py_NE); } else if ((s2 == Py_None) & PyUnicode_CheckExact(s1)) { return (equals == Py_NE); } else { int result; PyObject* py_result = PyObject_RichCompare(s1, s2, equals); if (!py_result) return -1; result = __Pyx_PyObject_IsTrue(py_result); Py_DECREF(py_result); return result; } #endif } static CYTHON_INLINE PyObject* __Pyx_decode_c_string( const char* cstring, Py_ssize_t start, Py_ssize_t stop, const char* encoding, const char* errors, PyObject* (*decode_func)(const char *s, Py_ssize_t size, const char *errors)) { Py_ssize_t length; if (unlikely((start < 0) | (stop < 0))) { length = strlen(cstring); if (start < 0) { start += length; if (start < 0) start = 0; } if (stop < 0) stop += length; } length = stop - start; if (unlikely(length <= 0)) return PyUnicode_FromUnicode(NULL, 0); cstring += start; if (decode_func) { return decode_func(cstring, length, errors); } else { return PyUnicode_Decode(cstring, length, encoding, errors); } } static int __Pyx_GetException(PyObject **type, PyObject **value, PyObject **tb) { PyObject *local_type, *local_value, *local_tb; #if CYTHON_COMPILING_IN_CPYTHON PyObject *tmp_type, *tmp_value, *tmp_tb; PyThreadState *tstate = PyThreadState_GET(); local_type = tstate->curexc_type; local_value = tstate->curexc_value; local_tb = tstate->curexc_traceback; tstate->curexc_type = 0; tstate->curexc_value = 0; tstate->curexc_traceback = 0; #else PyErr_Fetch(&local_type, &local_value, &local_tb); #endif PyErr_NormalizeException(&local_type, &local_value, &local_tb); #if CYTHON_COMPILING_IN_CPYTHON if (unlikely(tstate->curexc_type)) #else if (unlikely(PyErr_Occurred())) #endif goto bad; #if PY_MAJOR_VERSION >= 3 if (unlikely(PyException_SetTraceback(local_value, local_tb) < 0)) goto bad; #endif Py_INCREF(local_type); Py_INCREF(local_value); Py_INCREF(local_tb); *type = local_type; *value = local_value; *tb = local_tb; #if CYTHON_COMPILING_IN_CPYTHON tmp_type = tstate->exc_type; tmp_value = tstate->exc_value; tmp_tb = tstate->exc_traceback; tstate->exc_type = local_type; tstate->exc_value = local_value; tstate->exc_traceback = local_tb; /* Make sure tstate is in a consistent state when we XDECREF these objects (DECREF may run arbitrary code). */ Py_XDECREF(tmp_type); Py_XDECREF(tmp_value); Py_XDECREF(tmp_tb); #else PyErr_SetExcInfo(local_type, local_value, local_tb); #endif return 0; bad: *type = 0; *value = 0; *tb = 0; Py_XDECREF(local_type); Py_XDECREF(local_value); Py_XDECREF(local_tb); return -1; } static CYTHON_INLINE void __Pyx_RaiseUnboundLocalError(const char *varname) { PyErr_Format(PyExc_UnboundLocalError, "local variable '%s' referenced before assignment", varname); } static CYTHON_INLINE long __Pyx_div_long(long a, long b) { long q = a / b; long r = a - q*b; q -= ((r != 0) & ((r ^ b) < 0)); return q; } static void __Pyx_WriteUnraisable(const char *name, CYTHON_UNUSED int clineno, CYTHON_UNUSED int lineno, CYTHON_UNUSED const char *filename) { PyObject *old_exc, *old_val, *old_tb; PyObject *ctx; __Pyx_ErrFetch(&old_exc, &old_val, &old_tb); #if PY_MAJOR_VERSION < 3 ctx = PyString_FromString(name); #else ctx = PyUnicode_FromString(name); #endif __Pyx_ErrRestore(old_exc, old_val, old_tb); if (!ctx) { PyErr_WriteUnraisable(Py_None); } else { PyErr_WriteUnraisable(ctx); Py_DECREF(ctx); } } static int __Pyx_SetVtable(PyObject *dict, void *vtable) { #if PY_VERSION_HEX >= 0x02070000 && !(PY_MAJOR_VERSION==3&&PY_MINOR_VERSION==0) PyObject *ob = PyCapsule_New(vtable, 0, 0); #else PyObject *ob = PyCObject_FromVoidPtr(vtable, 0); #endif if (!ob) goto bad; if (PyDict_SetItem(dict, __pyx_n_s____pyx_vtable__, ob) < 0) goto bad; Py_DECREF(ob); return 0; bad: Py_XDECREF(ob); return -1; } #if PY_MAJOR_VERSION < 3 static int __Pyx_GetBuffer(PyObject *obj, Py_buffer *view, int flags) { #if PY_VERSION_HEX >= 0x02060000 if (PyObject_CheckBuffer(obj)) return PyObject_GetBuffer(obj, view, flags); #endif if (PyObject_TypeCheck(obj, __pyx_ptype_5numpy_ndarray)) return __pyx_pw_5numpy_7ndarray_1__getbuffer__(obj, view, flags); if (PyObject_TypeCheck(obj, __pyx_array_type)) return __pyx_array_getbuffer(obj, view, flags); if (PyObject_TypeCheck(obj, __pyx_memoryview_type)) return __pyx_memoryview_getbuffer(obj, view, flags); #if PY_VERSION_HEX < 0x02060000 if (obj->ob_type->tp_dict) { PyObject *getbuffer_cobj = PyObject_GetItem( obj->ob_type->tp_dict, __pyx_n_s____pyx_getbuffer); if (getbuffer_cobj) { getbufferproc func = (getbufferproc) PyCObject_AsVoidPtr(getbuffer_cobj); Py_DECREF(getbuffer_cobj); if (!func) goto fail; return func(obj, view, flags); } else { PyErr_Clear(); } } #endif PyErr_Format(PyExc_TypeError, "'%100s' does not have the buffer interface", Py_TYPE(obj)->tp_name); #if PY_VERSION_HEX < 0x02060000 fail: #endif return -1; } static void __Pyx_ReleaseBuffer(Py_buffer *view) { PyObject *obj = view->obj; if (!obj) return; #if PY_VERSION_HEX >= 0x02060000 if (PyObject_CheckBuffer(obj)) { PyBuffer_Release(view); return; } #endif if (PyObject_TypeCheck(obj, __pyx_ptype_5numpy_ndarray)) { __pyx_pw_5numpy_7ndarray_3__releasebuffer__(obj, view); return; } #if PY_VERSION_HEX < 0x02060000 if (obj->ob_type->tp_dict) { PyObject *releasebuffer_cobj = PyObject_GetItem( obj->ob_type->tp_dict, __pyx_n_s____pyx_releasebuffer); if (releasebuffer_cobj) { releasebufferproc func = (releasebufferproc) PyCObject_AsVoidPtr(releasebuffer_cobj); Py_DECREF(releasebuffer_cobj); if (!func) goto fail; func(obj, view); return; } else { PyErr_Clear(); } } #endif goto nofail; #if PY_VERSION_HEX < 0x02060000 fail: #endif PyErr_WriteUnraisable(obj); nofail: Py_DECREF(obj); view->obj = NULL; } #endif /* PY_MAJOR_VERSION < 3 */ static PyObject *__Pyx_Import(PyObject *name, PyObject *from_list, int level) { PyObject *empty_list = 0; PyObject *module = 0; PyObject *global_dict = 0; PyObject *empty_dict = 0; PyObject *list; #if PY_VERSION_HEX < 0x03030000 PyObject *py_import; py_import = __Pyx_PyObject_GetAttrStr(__pyx_b, __pyx_n_s____import__); if (!py_import) goto bad; #endif if (from_list) list = from_list; else { empty_list = PyList_New(0); if (!empty_list) goto bad; list = empty_list; } global_dict = PyModule_GetDict(__pyx_m); if (!global_dict) goto bad; empty_dict = PyDict_New(); if (!empty_dict) goto bad; #if PY_VERSION_HEX >= 0x02050000 { #if PY_MAJOR_VERSION >= 3 if (level == -1) { if (strchr(__Pyx_MODULE_NAME, '.')) { #if PY_VERSION_HEX < 0x03030000 PyObject *py_level = PyInt_FromLong(1); if (!py_level) goto bad; module = PyObject_CallFunctionObjArgs(py_import, name, global_dict, empty_dict, list, py_level, NULL); Py_DECREF(py_level); #else module = PyImport_ImportModuleLevelObject( name, global_dict, empty_dict, list, 1); #endif if (!module) { if (!PyErr_ExceptionMatches(PyExc_ImportError)) goto bad; PyErr_Clear(); } } level = 0; /* try absolute import on failure */ } #endif if (!module) { #if PY_VERSION_HEX < 0x03030000 PyObject *py_level = PyInt_FromLong(level); if (!py_level) goto bad; module = PyObject_CallFunctionObjArgs(py_import, name, global_dict, empty_dict, list, py_level, NULL); Py_DECREF(py_level); #else module = PyImport_ImportModuleLevelObject( name, global_dict, empty_dict, list, level); #endif } } #else if (level>0) { PyErr_SetString(PyExc_RuntimeError, "Relative import is not supported for Python <=2.4."); goto bad; } module = PyObject_CallFunctionObjArgs(py_import, name, global_dict, empty_dict, list, NULL); #endif bad: #if PY_VERSION_HEX < 0x03030000 Py_XDECREF(py_import); #endif Py_XDECREF(empty_list); Py_XDECREF(empty_dict); return module; } #if CYTHON_CCOMPLEX #ifdef __cplusplus static CYTHON_INLINE __pyx_t_float_complex __pyx_t_float_complex_from_parts(float x, float y) { return ::std::complex< float >(x, y); } #else static CYTHON_INLINE __pyx_t_float_complex __pyx_t_float_complex_from_parts(float x, float y) { return x + y*(__pyx_t_float_complex)_Complex_I; } #endif #else static CYTHON_INLINE __pyx_t_float_complex __pyx_t_float_complex_from_parts(float x, float y) { __pyx_t_float_complex z; z.real = x; z.imag = y; return z; } #endif #if CYTHON_CCOMPLEX #else static CYTHON_INLINE int __Pyx_c_eqf(__pyx_t_float_complex a, __pyx_t_float_complex b) { return (a.real == b.real) && (a.imag == b.imag); } static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_sumf(__pyx_t_float_complex a, __pyx_t_float_complex b) { __pyx_t_float_complex z; z.real = a.real + b.real; z.imag = a.imag + b.imag; return z; } static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_difff(__pyx_t_float_complex a, __pyx_t_float_complex b) { __pyx_t_float_complex z; z.real = a.real - b.real; z.imag = a.imag - b.imag; return z; } static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_prodf(__pyx_t_float_complex a, __pyx_t_float_complex b) { __pyx_t_float_complex z; z.real = a.real * b.real - a.imag * b.imag; z.imag = a.real * b.imag + a.imag * b.real; return z; } static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_quotf(__pyx_t_float_complex a, __pyx_t_float_complex b) { __pyx_t_float_complex z; float denom = b.real * b.real + b.imag * b.imag; z.real = (a.real * b.real + a.imag * b.imag) / denom; z.imag = (a.imag * b.real - a.real * b.imag) / denom; return z; } static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_negf(__pyx_t_float_complex a) { __pyx_t_float_complex z; z.real = -a.real; z.imag = -a.imag; return z; } static CYTHON_INLINE int __Pyx_c_is_zerof(__pyx_t_float_complex a) { return (a.real == 0) && (a.imag == 0); } static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_conjf(__pyx_t_float_complex a) { __pyx_t_float_complex z; z.real = a.real; z.imag = -a.imag; return z; } #if 1 static CYTHON_INLINE float __Pyx_c_absf(__pyx_t_float_complex z) { #if !defined(HAVE_HYPOT) || defined(_MSC_VER) return sqrtf(z.real*z.real + z.imag*z.imag); #else return hypotf(z.real, z.imag); #endif } static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_powf(__pyx_t_float_complex a, __pyx_t_float_complex b) { __pyx_t_float_complex z; float r, lnr, theta, z_r, z_theta; if (b.imag == 0 && b.real == (int)b.real) { if (b.real < 0) { float denom = a.real * a.real + a.imag * a.imag; a.real = a.real / denom; a.imag = -a.imag / denom; b.real = -b.real; } switch ((int)b.real) { case 0: z.real = 1; z.imag = 0; return z; case 1: return a; case 2: z = __Pyx_c_prodf(a, a); return __Pyx_c_prodf(a, a); case 3: z = __Pyx_c_prodf(a, a); return __Pyx_c_prodf(z, a); case 4: z = __Pyx_c_prodf(a, a); return __Pyx_c_prodf(z, z); } } if (a.imag == 0) { if (a.real == 0) { return a; } r = a.real; theta = 0; } else { r = __Pyx_c_absf(a); theta = atan2f(a.imag, a.real); } lnr = logf(r); z_r = expf(lnr * b.real - theta * b.imag); z_theta = theta * b.real + lnr * b.imag; z.real = z_r * cosf(z_theta); z.imag = z_r * sinf(z_theta); return z; } #endif #endif #if CYTHON_CCOMPLEX #ifdef __cplusplus static CYTHON_INLINE __pyx_t_double_complex __pyx_t_double_complex_from_parts(double x, double y) { return ::std::complex< double >(x, y); } #else static CYTHON_INLINE __pyx_t_double_complex __pyx_t_double_complex_from_parts(double x, double y) { return x + y*(__pyx_t_double_complex)_Complex_I; } #endif #else static CYTHON_INLINE __pyx_t_double_complex __pyx_t_double_complex_from_parts(double x, double y) { __pyx_t_double_complex z; z.real = x; z.imag = y; return z; } #endif #if CYTHON_CCOMPLEX #else static CYTHON_INLINE int __Pyx_c_eq(__pyx_t_double_complex a, __pyx_t_double_complex b) { return (a.real == b.real) && (a.imag == b.imag); } static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_sum(__pyx_t_double_complex a, __pyx_t_double_complex b) { __pyx_t_double_complex z; z.real = a.real + b.real; z.imag = a.imag + b.imag; return z; } static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_diff(__pyx_t_double_complex a, __pyx_t_double_complex b) { __pyx_t_double_complex z; z.real = a.real - b.real; z.imag = a.imag - b.imag; return z; } static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_prod(__pyx_t_double_complex a, __pyx_t_double_complex b) { __pyx_t_double_complex z; z.real = a.real * b.real - a.imag * b.imag; z.imag = a.real * b.imag + a.imag * b.real; return z; } static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_quot(__pyx_t_double_complex a, __pyx_t_double_complex b) { __pyx_t_double_complex z; double denom = b.real * b.real + b.imag * b.imag; z.real = (a.real * b.real + a.imag * b.imag) / denom; z.imag = (a.imag * b.real - a.real * b.imag) / denom; return z; } static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_neg(__pyx_t_double_complex a) { __pyx_t_double_complex z; z.real = -a.real; z.imag = -a.imag; return z; } static CYTHON_INLINE int __Pyx_c_is_zero(__pyx_t_double_complex a) { return (a.real == 0) && (a.imag == 0); } static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_conj(__pyx_t_double_complex a) { __pyx_t_double_complex z; z.real = a.real; z.imag = -a.imag; return z; } #if 1 static CYTHON_INLINE double __Pyx_c_abs(__pyx_t_double_complex z) { #if !defined(HAVE_HYPOT) || defined(_MSC_VER) return sqrt(z.real*z.real + z.imag*z.imag); #else return hypot(z.real, z.imag); #endif } static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_pow(__pyx_t_double_complex a, __pyx_t_double_complex b) { __pyx_t_double_complex z; double r, lnr, theta, z_r, z_theta; if (b.imag == 0 && b.real == (int)b.real) { if (b.real < 0) { double denom = a.real * a.real + a.imag * a.imag; a.real = a.real / denom; a.imag = -a.imag / denom; b.real = -b.real; } switch ((int)b.real) { case 0: z.real = 1; z.imag = 0; return z; case 1: return a; case 2: z = __Pyx_c_prod(a, a); return __Pyx_c_prod(a, a); case 3: z = __Pyx_c_prod(a, a); return __Pyx_c_prod(z, a); case 4: z = __Pyx_c_prod(a, a); return __Pyx_c_prod(z, z); } } if (a.imag == 0) { if (a.real == 0) { return a; } r = a.real; theta = 0; } else { r = __Pyx_c_abs(a); theta = atan2(a.imag, a.real); } lnr = log(r); z_r = exp(lnr * b.real - theta * b.imag); z_theta = theta * b.real + lnr * b.imag; z.real = z_r * cos(z_theta); z.imag = z_r * sin(z_theta); return z; } #endif #endif static int __pyx_memviewslice_is_contig(const __Pyx_memviewslice *mvs, char order, int ndim) { int i, index, step, start; Py_ssize_t itemsize = mvs->memview->view.itemsize; if (order == 'F') { step = 1; start = 0; } else { step = -1; start = ndim - 1; } for (i = 0; i < ndim; i++) { index = start + step * i; if (mvs->suboffsets[index] >= 0 || mvs->strides[index] != itemsize) return 0; itemsize *= mvs->shape[index]; } return 1; } static void __pyx_get_array_memory_extents(__Pyx_memviewslice *slice, void **out_start, void **out_end, int ndim, size_t itemsize) { char *start, *end; int i; start = end = slice->data; for (i = 0; i < ndim; i++) { Py_ssize_t stride = slice->strides[i]; Py_ssize_t extent = slice->shape[i]; if (extent == 0) { *out_start = *out_end = start; return; } else { if (stride > 0) end += stride * (extent - 1); else start += stride * (extent - 1); } } *out_start = start; *out_end = end + itemsize; } static int __pyx_slices_overlap(__Pyx_memviewslice *slice1, __Pyx_memviewslice *slice2, int ndim, size_t itemsize) { void *start1, *end1, *start2, *end2; __pyx_get_array_memory_extents(slice1, &start1, &end1, ndim, itemsize); __pyx_get_array_memory_extents(slice2, &start2, &end2, ndim, itemsize); return (start1 < end2) && (start2 < end1); } static __Pyx_memviewslice __pyx_memoryview_copy_new_contig(const __Pyx_memviewslice *from_mvs, const char *mode, int ndim, size_t sizeof_dtype, int contig_flag, int dtype_is_object) { __Pyx_RefNannyDeclarations int i; __Pyx_memviewslice new_mvs = { 0, 0, { 0 }, { 0 }, { 0 } }; struct __pyx_memoryview_obj *from_memview = from_mvs->memview; Py_buffer *buf = &from_memview->view; PyObject *shape_tuple = NULL; PyObject *temp_int = NULL; struct __pyx_array_obj *array_obj = NULL; struct __pyx_memoryview_obj *memview_obj = NULL; __Pyx_RefNannySetupContext("__pyx_memoryview_copy_new_contig", 0); for (i = 0; i < ndim; i++) { if (from_mvs->suboffsets[i] >= 0) { PyErr_Format(PyExc_ValueError, "Cannot copy memoryview slice with " "indirect dimensions (axis %d)", i); goto fail; } } shape_tuple = PyTuple_New(ndim); if (unlikely(!shape_tuple)) { goto fail; } __Pyx_GOTREF(shape_tuple); for(i = 0; i < ndim; i++) { temp_int = PyInt_FromLong(from_mvs->shape[i]); if(unlikely(!temp_int)) { goto fail; } else { PyTuple_SET_ITEM(shape_tuple, i, temp_int); temp_int = NULL; } } array_obj = __pyx_array_new(shape_tuple, sizeof_dtype, buf->format, (char *) mode, NULL); if (unlikely(!array_obj)) { goto fail; } __Pyx_GOTREF(array_obj); memview_obj = (struct __pyx_memoryview_obj *) __pyx_memoryview_new( (PyObject *) array_obj, contig_flag, dtype_is_object, from_mvs->memview->typeinfo); if (unlikely(!memview_obj)) goto fail; if (unlikely(__Pyx_init_memviewslice(memview_obj, ndim, &new_mvs, 1) < 0)) goto fail; if (unlikely(__pyx_memoryview_copy_contents(*from_mvs, new_mvs, ndim, ndim, dtype_is_object) < 0)) goto fail; goto no_fail; fail: __Pyx_XDECREF(new_mvs.memview); new_mvs.memview = NULL; new_mvs.data = NULL; no_fail: __Pyx_XDECREF(shape_tuple); __Pyx_XDECREF(temp_int); __Pyx_XDECREF(array_obj); __Pyx_RefNannyFinishContext(); return new_mvs; } static CYTHON_INLINE PyObject * __pyx_capsule_create(void *p, CYTHON_UNUSED const char *sig) { PyObject *cobj; #if PY_VERSION_HEX >= 0x02070000 && !(PY_MAJOR_VERSION == 3 && PY_MINOR_VERSION == 0) cobj = PyCapsule_New(p, sig, NULL); #else cobj = PyCObject_FromVoidPtr(p, NULL); #endif return cobj; } static CYTHON_INLINE void __Pyx_ExceptionSave(PyObject **type, PyObject **value, PyObject **tb) { #if CYTHON_COMPILING_IN_CPYTHON PyThreadState *tstate = PyThreadState_GET(); *type = tstate->exc_type; *value = tstate->exc_value; *tb = tstate->exc_traceback; Py_XINCREF(*type); Py_XINCREF(*value); Py_XINCREF(*tb); #else PyErr_GetExcInfo(type, value, tb); #endif } static void __Pyx_ExceptionReset(PyObject *type, PyObject *value, PyObject *tb) { #if CYTHON_COMPILING_IN_CPYTHON PyObject *tmp_type, *tmp_value, *tmp_tb; PyThreadState *tstate = PyThreadState_GET(); tmp_type = tstate->exc_type; tmp_value = tstate->exc_value; tmp_tb = tstate->exc_traceback; tstate->exc_type = type; tstate->exc_value = value; tstate->exc_traceback = tb; Py_XDECREF(tmp_type); Py_XDECREF(tmp_value); Py_XDECREF(tmp_tb); #else PyErr_SetExcInfo(type, value, tb); #endif } static CYTHON_INLINE unsigned char __Pyx_PyInt_AsUnsignedChar(PyObject* x) { const unsigned char neg_one = (unsigned char)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; if (sizeof(unsigned char) < sizeof(long)) { long val = __Pyx_PyInt_AsLong(x); if (unlikely(val != (long)(unsigned char)val)) { if (!unlikely(val == -1 && PyErr_Occurred())) { PyErr_SetString(PyExc_OverflowError, (is_unsigned && unlikely(val < 0)) ? "can't convert negative value to unsigned char" : "value too large to convert to unsigned char"); } return (unsigned char)-1; } return (unsigned char)val; } return (unsigned char)__Pyx_PyInt_AsUnsignedLong(x); } static CYTHON_INLINE unsigned short __Pyx_PyInt_AsUnsignedShort(PyObject* x) { const unsigned short neg_one = (unsigned short)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; if (sizeof(unsigned short) < sizeof(long)) { long val = __Pyx_PyInt_AsLong(x); if (unlikely(val != (long)(unsigned short)val)) { if (!unlikely(val == -1 && PyErr_Occurred())) { PyErr_SetString(PyExc_OverflowError, (is_unsigned && unlikely(val < 0)) ? "can't convert negative value to unsigned short" : "value too large to convert to unsigned short"); } return (unsigned short)-1; } return (unsigned short)val; } return (unsigned short)__Pyx_PyInt_AsUnsignedLong(x); } static CYTHON_INLINE unsigned int __Pyx_PyInt_AsUnsignedInt(PyObject* x) { const unsigned int neg_one = (unsigned int)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; if (sizeof(unsigned int) < sizeof(long)) { long val = __Pyx_PyInt_AsLong(x); if (unlikely(val != (long)(unsigned int)val)) { if (!unlikely(val == -1 && PyErr_Occurred())) { PyErr_SetString(PyExc_OverflowError, (is_unsigned && unlikely(val < 0)) ? "can't convert negative value to unsigned int" : "value too large to convert to unsigned int"); } return (unsigned int)-1; } return (unsigned int)val; } return (unsigned int)__Pyx_PyInt_AsUnsignedLong(x); } static CYTHON_INLINE char __Pyx_PyInt_AsChar(PyObject* x) { const char neg_one = (char)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; if (sizeof(char) < sizeof(long)) { long val = __Pyx_PyInt_AsLong(x); if (unlikely(val != (long)(char)val)) { if (!unlikely(val == -1 && PyErr_Occurred())) { PyErr_SetString(PyExc_OverflowError, (is_unsigned && unlikely(val < 0)) ? "can't convert negative value to char" : "value too large to convert to char"); } return (char)-1; } return (char)val; } return (char)__Pyx_PyInt_AsLong(x); } static CYTHON_INLINE short __Pyx_PyInt_AsShort(PyObject* x) { const short neg_one = (short)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; if (sizeof(short) < sizeof(long)) { long val = __Pyx_PyInt_AsLong(x); if (unlikely(val != (long)(short)val)) { if (!unlikely(val == -1 && PyErr_Occurred())) { PyErr_SetString(PyExc_OverflowError, (is_unsigned && unlikely(val < 0)) ? "can't convert negative value to short" : "value too large to convert to short"); } return (short)-1; } return (short)val; } return (short)__Pyx_PyInt_AsLong(x); } static CYTHON_INLINE int __Pyx_PyInt_AsInt(PyObject* x) { const int neg_one = (int)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; if (sizeof(int) < sizeof(long)) { long val = __Pyx_PyInt_AsLong(x); if (unlikely(val != (long)(int)val)) { if (!unlikely(val == -1 && PyErr_Occurred())) { PyErr_SetString(PyExc_OverflowError, (is_unsigned && unlikely(val < 0)) ? "can't convert negative value to int" : "value too large to convert to int"); } return (int)-1; } return (int)val; } return (int)__Pyx_PyInt_AsLong(x); } static CYTHON_INLINE signed char __Pyx_PyInt_AsSignedChar(PyObject* x) { const signed char neg_one = (signed char)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; if (sizeof(signed char) < sizeof(long)) { long val = __Pyx_PyInt_AsLong(x); if (unlikely(val != (long)(signed char)val)) { if (!unlikely(val == -1 && PyErr_Occurred())) { PyErr_SetString(PyExc_OverflowError, (is_unsigned && unlikely(val < 0)) ? "can't convert negative value to signed char" : "value too large to convert to signed char"); } return (signed char)-1; } return (signed char)val; } return (signed char)__Pyx_PyInt_AsSignedLong(x); } static CYTHON_INLINE signed short __Pyx_PyInt_AsSignedShort(PyObject* x) { const signed short neg_one = (signed short)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; if (sizeof(signed short) < sizeof(long)) { long val = __Pyx_PyInt_AsLong(x); if (unlikely(val != (long)(signed short)val)) { if (!unlikely(val == -1 && PyErr_Occurred())) { PyErr_SetString(PyExc_OverflowError, (is_unsigned && unlikely(val < 0)) ? "can't convert negative value to signed short" : "value too large to convert to signed short"); } return (signed short)-1; } return (signed short)val; } return (signed short)__Pyx_PyInt_AsSignedLong(x); } static CYTHON_INLINE signed int __Pyx_PyInt_AsSignedInt(PyObject* x) { const signed int neg_one = (signed int)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; if (sizeof(signed int) < sizeof(long)) { long val = __Pyx_PyInt_AsLong(x); if (unlikely(val != (long)(signed int)val)) { if (!unlikely(val == -1 && PyErr_Occurred())) { PyErr_SetString(PyExc_OverflowError, (is_unsigned && unlikely(val < 0)) ? "can't convert negative value to signed int" : "value too large to convert to signed int"); } return (signed int)-1; } return (signed int)val; } return (signed int)__Pyx_PyInt_AsSignedLong(x); } static CYTHON_INLINE int __Pyx_PyInt_AsLongDouble(PyObject* x) { const int neg_one = (int)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; if (sizeof(int) < sizeof(long)) { long val = __Pyx_PyInt_AsLong(x); if (unlikely(val != (long)(int)val)) { if (!unlikely(val == -1 && PyErr_Occurred())) { PyErr_SetString(PyExc_OverflowError, (is_unsigned && unlikely(val < 0)) ? "can't convert negative value to int" : "value too large to convert to int"); } return (int)-1; } return (int)val; } return (int)__Pyx_PyInt_AsLong(x); } #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS #include "longintrepr.h" #endif #endif static CYTHON_INLINE unsigned long __Pyx_PyInt_AsUnsignedLong(PyObject* x) { const unsigned long neg_one = (unsigned long)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; #if PY_MAJOR_VERSION < 3 if (likely(PyInt_Check(x))) { long val = PyInt_AS_LONG(x); if (is_unsigned && unlikely(val < 0)) { PyErr_SetString(PyExc_OverflowError, "can't convert negative value to unsigned long"); return (unsigned long)-1; } return (unsigned long)val; } else #endif if (likely(PyLong_Check(x))) { if (is_unsigned) { #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS if (sizeof(digit) <= sizeof(unsigned long)) { switch (Py_SIZE(x)) { case 0: return 0; case 1: return (unsigned long) ((PyLongObject*)x)->ob_digit[0]; } } #endif #endif if (unlikely(Py_SIZE(x) < 0)) { PyErr_SetString(PyExc_OverflowError, "can't convert negative value to unsigned long"); return (unsigned long)-1; } return (unsigned long)PyLong_AsUnsignedLong(x); } else { #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS if (sizeof(digit) <= sizeof(unsigned long)) { switch (Py_SIZE(x)) { case 0: return 0; case 1: return +(unsigned long) ((PyLongObject*)x)->ob_digit[0]; case -1: return -(unsigned long) ((PyLongObject*)x)->ob_digit[0]; } } #endif #endif return (unsigned long)PyLong_AsLong(x); } } else { unsigned long val; PyObject *tmp = __Pyx_PyNumber_Int(x); if (!tmp) return (unsigned long)-1; val = __Pyx_PyInt_AsUnsignedLong(tmp); Py_DECREF(tmp); return val; } } #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS #include "longintrepr.h" #endif #endif static CYTHON_INLINE unsigned PY_LONG_LONG __Pyx_PyInt_AsUnsignedLongLong(PyObject* x) { const unsigned PY_LONG_LONG neg_one = (unsigned PY_LONG_LONG)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; #if PY_MAJOR_VERSION < 3 if (likely(PyInt_Check(x))) { long val = PyInt_AS_LONG(x); if (is_unsigned && unlikely(val < 0)) { PyErr_SetString(PyExc_OverflowError, "can't convert negative value to unsigned PY_LONG_LONG"); return (unsigned PY_LONG_LONG)-1; } return (unsigned PY_LONG_LONG)val; } else #endif if (likely(PyLong_Check(x))) { if (is_unsigned) { #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS if (sizeof(digit) <= sizeof(unsigned PY_LONG_LONG)) { switch (Py_SIZE(x)) { case 0: return 0; case 1: return (unsigned PY_LONG_LONG) ((PyLongObject*)x)->ob_digit[0]; } } #endif #endif if (unlikely(Py_SIZE(x) < 0)) { PyErr_SetString(PyExc_OverflowError, "can't convert negative value to unsigned PY_LONG_LONG"); return (unsigned PY_LONG_LONG)-1; } return (unsigned PY_LONG_LONG)PyLong_AsUnsignedLongLong(x); } else { #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS if (sizeof(digit) <= sizeof(unsigned PY_LONG_LONG)) { switch (Py_SIZE(x)) { case 0: return 0; case 1: return +(unsigned PY_LONG_LONG) ((PyLongObject*)x)->ob_digit[0]; case -1: return -(unsigned PY_LONG_LONG) ((PyLongObject*)x)->ob_digit[0]; } } #endif #endif return (unsigned PY_LONG_LONG)PyLong_AsLongLong(x); } } else { unsigned PY_LONG_LONG val; PyObject *tmp = __Pyx_PyNumber_Int(x); if (!tmp) return (unsigned PY_LONG_LONG)-1; val = __Pyx_PyInt_AsUnsignedLongLong(tmp); Py_DECREF(tmp); return val; } } #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS #include "longintrepr.h" #endif #endif static CYTHON_INLINE long __Pyx_PyInt_AsLong(PyObject* x) { const long neg_one = (long)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; #if PY_MAJOR_VERSION < 3 if (likely(PyInt_Check(x))) { long val = PyInt_AS_LONG(x); if (is_unsigned && unlikely(val < 0)) { PyErr_SetString(PyExc_OverflowError, "can't convert negative value to long"); return (long)-1; } return (long)val; } else #endif if (likely(PyLong_Check(x))) { if (is_unsigned) { #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS if (sizeof(digit) <= sizeof(long)) { switch (Py_SIZE(x)) { case 0: return 0; case 1: return (long) ((PyLongObject*)x)->ob_digit[0]; } } #endif #endif if (unlikely(Py_SIZE(x) < 0)) { PyErr_SetString(PyExc_OverflowError, "can't convert negative value to long"); return (long)-1; } return (long)PyLong_AsUnsignedLong(x); } else { #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS if (sizeof(digit) <= sizeof(long)) { switch (Py_SIZE(x)) { case 0: return 0; case 1: return +(long) ((PyLongObject*)x)->ob_digit[0]; case -1: return -(long) ((PyLongObject*)x)->ob_digit[0]; } } #endif #endif return (long)PyLong_AsLong(x); } } else { long val; PyObject *tmp = __Pyx_PyNumber_Int(x); if (!tmp) return (long)-1; val = __Pyx_PyInt_AsLong(tmp); Py_DECREF(tmp); return val; } } #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS #include "longintrepr.h" #endif #endif static CYTHON_INLINE PY_LONG_LONG __Pyx_PyInt_AsLongLong(PyObject* x) { const PY_LONG_LONG neg_one = (PY_LONG_LONG)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; #if PY_MAJOR_VERSION < 3 if (likely(PyInt_Check(x))) { long val = PyInt_AS_LONG(x); if (is_unsigned && unlikely(val < 0)) { PyErr_SetString(PyExc_OverflowError, "can't convert negative value to PY_LONG_LONG"); return (PY_LONG_LONG)-1; } return (PY_LONG_LONG)val; } else #endif if (likely(PyLong_Check(x))) { if (is_unsigned) { #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS if (sizeof(digit) <= sizeof(PY_LONG_LONG)) { switch (Py_SIZE(x)) { case 0: return 0; case 1: return (PY_LONG_LONG) ((PyLongObject*)x)->ob_digit[0]; } } #endif #endif if (unlikely(Py_SIZE(x) < 0)) { PyErr_SetString(PyExc_OverflowError, "can't convert negative value to PY_LONG_LONG"); return (PY_LONG_LONG)-1; } return (PY_LONG_LONG)PyLong_AsUnsignedLongLong(x); } else { #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS if (sizeof(digit) <= sizeof(PY_LONG_LONG)) { switch (Py_SIZE(x)) { case 0: return 0; case 1: return +(PY_LONG_LONG) ((PyLongObject*)x)->ob_digit[0]; case -1: return -(PY_LONG_LONG) ((PyLongObject*)x)->ob_digit[0]; } } #endif #endif return (PY_LONG_LONG)PyLong_AsLongLong(x); } } else { PY_LONG_LONG val; PyObject *tmp = __Pyx_PyNumber_Int(x); if (!tmp) return (PY_LONG_LONG)-1; val = __Pyx_PyInt_AsLongLong(tmp); Py_DECREF(tmp); return val; } } #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS #include "longintrepr.h" #endif #endif static CYTHON_INLINE signed long __Pyx_PyInt_AsSignedLong(PyObject* x) { const signed long neg_one = (signed long)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; #if PY_MAJOR_VERSION < 3 if (likely(PyInt_Check(x))) { long val = PyInt_AS_LONG(x); if (is_unsigned && unlikely(val < 0)) { PyErr_SetString(PyExc_OverflowError, "can't convert negative value to signed long"); return (signed long)-1; } return (signed long)val; } else #endif if (likely(PyLong_Check(x))) { if (is_unsigned) { #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS if (sizeof(digit) <= sizeof(signed long)) { switch (Py_SIZE(x)) { case 0: return 0; case 1: return (signed long) ((PyLongObject*)x)->ob_digit[0]; } } #endif #endif if (unlikely(Py_SIZE(x) < 0)) { PyErr_SetString(PyExc_OverflowError, "can't convert negative value to signed long"); return (signed long)-1; } return (signed long)PyLong_AsUnsignedLong(x); } else { #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS if (sizeof(digit) <= sizeof(signed long)) { switch (Py_SIZE(x)) { case 0: return 0; case 1: return +(signed long) ((PyLongObject*)x)->ob_digit[0]; case -1: return -(signed long) ((PyLongObject*)x)->ob_digit[0]; } } #endif #endif return (signed long)PyLong_AsLong(x); } } else { signed long val; PyObject *tmp = __Pyx_PyNumber_Int(x); if (!tmp) return (signed long)-1; val = __Pyx_PyInt_AsSignedLong(tmp); Py_DECREF(tmp); return val; } } #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS #include "longintrepr.h" #endif #endif static CYTHON_INLINE signed PY_LONG_LONG __Pyx_PyInt_AsSignedLongLong(PyObject* x) { const signed PY_LONG_LONG neg_one = (signed PY_LONG_LONG)-1, const_zero = 0; const int is_unsigned = neg_one > const_zero; #if PY_MAJOR_VERSION < 3 if (likely(PyInt_Check(x))) { long val = PyInt_AS_LONG(x); if (is_unsigned && unlikely(val < 0)) { PyErr_SetString(PyExc_OverflowError, "can't convert negative value to signed PY_LONG_LONG"); return (signed PY_LONG_LONG)-1; } return (signed PY_LONG_LONG)val; } else #endif if (likely(PyLong_Check(x))) { if (is_unsigned) { #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS if (sizeof(digit) <= sizeof(signed PY_LONG_LONG)) { switch (Py_SIZE(x)) { case 0: return 0; case 1: return (signed PY_LONG_LONG) ((PyLongObject*)x)->ob_digit[0]; } } #endif #endif if (unlikely(Py_SIZE(x) < 0)) { PyErr_SetString(PyExc_OverflowError, "can't convert negative value to signed PY_LONG_LONG"); return (signed PY_LONG_LONG)-1; } return (signed PY_LONG_LONG)PyLong_AsUnsignedLongLong(x); } else { #if CYTHON_COMPILING_IN_CPYTHON && PY_MAJOR_VERSION >= 3 #if CYTHON_USE_PYLONG_INTERNALS if (sizeof(digit) <= sizeof(signed PY_LONG_LONG)) { switch (Py_SIZE(x)) { case 0: return 0; case 1: return +(signed PY_LONG_LONG) ((PyLongObject*)x)->ob_digit[0]; case -1: return -(signed PY_LONG_LONG) ((PyLongObject*)x)->ob_digit[0]; } } #endif #endif return (signed PY_LONG_LONG)PyLong_AsLongLong(x); } } else { signed PY_LONG_LONG val; PyObject *tmp = __Pyx_PyNumber_Int(x); if (!tmp) return (signed PY_LONG_LONG)-1; val = __Pyx_PyInt_AsSignedLongLong(tmp); Py_DECREF(tmp); return val; } } static int __pyx_typeinfo_cmp(__Pyx_TypeInfo *a, __Pyx_TypeInfo *b) { int i; if (!a || !b) return 0; if (a == b) return 1; if (a->size != b->size || a->typegroup != b->typegroup || a->is_unsigned != b->is_unsigned || a->ndim != b->ndim) { if (a->typegroup == 'H' || b->typegroup == 'H') { return a->size == b->size; } else { return 0; } } if (a->ndim) { for (i = 0; i < a->ndim; i++) if (a->arraysize[i] != b->arraysize[i]) return 0; } if (a->typegroup == 'S') { if (a->flags != b->flags) return 0; if (a->fields || b->fields) { if (!(a->fields && b->fields)) return 0; for (i = 0; a->fields[i].type && b->fields[i].type; i++) { __Pyx_StructField *field_a = a->fields + i; __Pyx_StructField *field_b = b->fields + i; if (field_a->offset != field_b->offset || !__pyx_typeinfo_cmp(field_a->type, field_b->type)) return 0; } return !a->fields[i].type && !b->fields[i].type; } } return 1; } static int __pyx_check_strides(Py_buffer *buf, int dim, int ndim, int spec) { if (buf->shape[dim] <= 1) return 1; if (buf->strides) { if (spec & __Pyx_MEMVIEW_CONTIG) { if (spec & (__Pyx_MEMVIEW_PTR|__Pyx_MEMVIEW_FULL)) { if (buf->strides[dim] != sizeof(void *)) { PyErr_Format(PyExc_ValueError, "Buffer is not indirectly contiguous " "in dimension %d.", dim); goto fail; } } else if (buf->strides[dim] != buf->itemsize) { PyErr_SetString(PyExc_ValueError, "Buffer and memoryview are not contiguous " "in the same dimension."); goto fail; } } if (spec & __Pyx_MEMVIEW_FOLLOW) { Py_ssize_t stride = buf->strides[dim]; if (stride < 0) stride = -stride; if (stride < buf->itemsize) { PyErr_SetString(PyExc_ValueError, "Buffer and memoryview are not contiguous " "in the same dimension."); goto fail; } } } else { if (spec & __Pyx_MEMVIEW_CONTIG && dim != ndim - 1) { PyErr_Format(PyExc_ValueError, "C-contiguous buffer is not contiguous in " "dimension %d", dim); goto fail; } else if (spec & (__Pyx_MEMVIEW_PTR)) { PyErr_Format(PyExc_ValueError, "C-contiguous buffer is not indirect in " "dimension %d", dim); goto fail; } else if (buf->suboffsets) { PyErr_SetString(PyExc_ValueError, "Buffer exposes suboffsets but no strides"); goto fail; } } return 1; fail: return 0; } static int __pyx_check_suboffsets(Py_buffer *buf, int dim, CYTHON_UNUSED int ndim, int spec) { if (spec & __Pyx_MEMVIEW_DIRECT) { if (buf->suboffsets && buf->suboffsets[dim] >= 0) { PyErr_Format(PyExc_ValueError, "Buffer not compatible with direct access " "in dimension %d.", dim); goto fail; } } if (spec & __Pyx_MEMVIEW_PTR) { if (!buf->suboffsets || (buf->suboffsets && buf->suboffsets[dim] < 0)) { PyErr_Format(PyExc_ValueError, "Buffer is not indirectly accessisble " "in dimension %d.", dim); goto fail; } } return 1; fail: return 0; } static int __pyx_verify_contig(Py_buffer *buf, int ndim, int c_or_f_flag) { int i; if (c_or_f_flag & __Pyx_IS_F_CONTIG) { Py_ssize_t stride = 1; for (i = 0; i < ndim; i++) { if (stride * buf->itemsize != buf->strides[i] && buf->shape[i] > 1) { PyErr_SetString(PyExc_ValueError, "Buffer not fortran contiguous."); goto fail; } stride = stride * buf->shape[i]; } } else if (c_or_f_flag & __Pyx_IS_C_CONTIG) { Py_ssize_t stride = 1; for (i = ndim - 1; i >- 1; i--) { if (stride * buf->itemsize != buf->strides[i] && buf->shape[i] > 1) { PyErr_SetString(PyExc_ValueError, "Buffer not C contiguous."); goto fail; } stride = stride * buf->shape[i]; } } return 1; fail: return 0; } static int __Pyx_ValidateAndInit_memviewslice( int *axes_specs, int c_or_f_flag, int buf_flags, int ndim, __Pyx_TypeInfo *dtype, __Pyx_BufFmt_StackElem stack[], __Pyx_memviewslice *memviewslice, PyObject *original_obj) { struct __pyx_memoryview_obj *memview, *new_memview; __Pyx_RefNannyDeclarations Py_buffer *buf; int i, spec = 0, retval = -1; __Pyx_BufFmt_Context ctx; int from_memoryview = __pyx_memoryview_check(original_obj); __Pyx_RefNannySetupContext("ValidateAndInit_memviewslice", 0); if (from_memoryview && __pyx_typeinfo_cmp(dtype, ((struct __pyx_memoryview_obj *) original_obj)->typeinfo)) { memview = (struct __pyx_memoryview_obj *) original_obj; new_memview = NULL; } else { memview = (struct __pyx_memoryview_obj *) __pyx_memoryview_new( original_obj, buf_flags, 0, dtype); new_memview = memview; if (unlikely(!memview)) goto fail; } buf = &memview->view; if (buf->ndim != ndim) { PyErr_Format(PyExc_ValueError, "Buffer has wrong number of dimensions (expected %d, got %d)", ndim, buf->ndim); goto fail; } if (new_memview) { __Pyx_BufFmt_Init(&ctx, stack, dtype); if (!__Pyx_BufFmt_CheckString(&ctx, buf->format)) goto fail; } if ((unsigned) buf->itemsize != dtype->size) { PyErr_Format(PyExc_ValueError, "Item size of buffer (%" CYTHON_FORMAT_SSIZE_T "u byte%s) " "does not match size of '%s' (%" CYTHON_FORMAT_SSIZE_T "u byte%s)", buf->itemsize, (buf->itemsize > 1) ? "s" : "", dtype->name, dtype->size, (dtype->size > 1) ? "s" : ""); goto fail; } for (i = 0; i < ndim; i++) { spec = axes_specs[i]; if (!__pyx_check_strides(buf, i, ndim, spec)) goto fail; if (!__pyx_check_suboffsets(buf, i, ndim, spec)) goto fail; } if (buf->strides && !__pyx_verify_contig(buf, ndim, c_or_f_flag)) goto fail; if (unlikely(__Pyx_init_memviewslice(memview, ndim, memviewslice, new_memview != NULL) == -1)) { goto fail; } retval = 0; goto no_fail; fail: Py_XDECREF(new_memview); retval = -1; no_fail: __Pyx_RefNannyFinishContext(); return retval; } static CYTHON_INLINE __Pyx_memviewslice __Pyx_PyObject_to_MemoryviewSlice_ds_nn_coordT(PyObject *obj) { __Pyx_memviewslice result = { 0, 0, { 0 }, { 0 }, { 0 } }; __Pyx_BufFmt_StackElem stack[1]; int axes_specs[] = { (__Pyx_MEMVIEW_DIRECT | __Pyx_MEMVIEW_STRIDED) }; int retcode; if (obj == Py_None) { result.memview = (struct __pyx_memoryview_obj *) Py_None; return result; } retcode = __Pyx_ValidateAndInit_memviewslice(axes_specs, 0, PyBUF_RECORDS, 1, &__Pyx_TypeInfo_nn_coordT, stack, &result, obj); if (unlikely(retcode == -1)) goto __pyx_fail; return result; __pyx_fail: result.memview = NULL; result.data = NULL; return result; } static CYTHON_INLINE __Pyx_memviewslice __Pyx_PyObject_to_MemoryviewSlice_ds_unsigned_int(PyObject *obj) { __Pyx_memviewslice result = { 0, 0, { 0 }, { 0 }, { 0 } }; __Pyx_BufFmt_StackElem stack[1]; int axes_specs[] = { (__Pyx_MEMVIEW_DIRECT | __Pyx_MEMVIEW_STRIDED) }; int retcode; if (obj == Py_None) { result.memview = (struct __pyx_memoryview_obj *) Py_None; return result; } retcode = __Pyx_ValidateAndInit_memviewslice(axes_specs, 0, PyBUF_RECORDS, 1, &__Pyx_TypeInfo_unsigned_int, stack, &result, obj); if (unlikely(retcode == -1)) goto __pyx_fail; return result; __pyx_fail: result.memview = NULL; result.data = NULL; return result; } static int __Pyx_check_binary_version(void) { char ctversion[4], rtversion[4]; PyOS_snprintf(ctversion, 4, "%d.%d", PY_MAJOR_VERSION, PY_MINOR_VERSION); PyOS_snprintf(rtversion, 4, "%s", Py_GetVersion()); if (ctversion[0] != rtversion[0] || ctversion[2] != rtversion[2]) { char message[200]; PyOS_snprintf(message, sizeof(message), "compiletime version %s of module '%.100s' " "does not match runtime version %s", ctversion, __Pyx_MODULE_NAME, rtversion); #if PY_VERSION_HEX < 0x02050000 return PyErr_Warn(NULL, message); #else return PyErr_WarnEx(NULL, message, 1); #endif } return 0; } #ifndef __PYX_HAVE_RT_ImportModule #define __PYX_HAVE_RT_ImportModule static PyObject *__Pyx_ImportModule(const char *name) { PyObject *py_name = 0; PyObject *py_module = 0; py_name = __Pyx_PyIdentifier_FromString(name); if (!py_name) goto bad; py_module = PyImport_Import(py_name); Py_DECREF(py_name); return py_module; bad: Py_XDECREF(py_name); return 0; } #endif #ifndef __PYX_HAVE_RT_ImportType #define __PYX_HAVE_RT_ImportType static PyTypeObject *__Pyx_ImportType(const char *module_name, const char *class_name, size_t size, int strict) { PyObject *py_module = 0; PyObject *result = 0; PyObject *py_name = 0; char warning[200]; Py_ssize_t basicsize; #ifdef Py_LIMITED_API PyObject *py_basicsize; #endif py_module = __Pyx_ImportModule(module_name); if (!py_module) goto bad; py_name = __Pyx_PyIdentifier_FromString(class_name); if (!py_name) goto bad; result = PyObject_GetAttr(py_module, py_name); Py_DECREF(py_name); py_name = 0; Py_DECREF(py_module); py_module = 0; if (!result) goto bad; if (!PyType_Check(result)) { PyErr_Format(PyExc_TypeError, "%s.%s is not a type object", module_name, class_name); goto bad; } #ifndef Py_LIMITED_API basicsize = ((PyTypeObject *)result)->tp_basicsize; #else py_basicsize = PyObject_GetAttrString(result, "__basicsize__"); if (!py_basicsize) goto bad; basicsize = PyLong_AsSsize_t(py_basicsize); Py_DECREF(py_basicsize); py_basicsize = 0; if (basicsize == (Py_ssize_t)-1 && PyErr_Occurred()) goto bad; #endif if (!strict && (size_t)basicsize > size) { PyOS_snprintf(warning, sizeof(warning), "%s.%s size changed, may indicate binary incompatibility", module_name, class_name); #if PY_VERSION_HEX < 0x02050000 if (PyErr_Warn(NULL, warning) < 0) goto bad; #else if (PyErr_WarnEx(NULL, warning, 0) < 0) goto bad; #endif } else if ((size_t)basicsize != size) { PyErr_Format(PyExc_ValueError, "%s.%s has the wrong size, try recompiling", module_name, class_name); goto bad; } return (PyTypeObject *)result; bad: Py_XDECREF(py_module); Py_XDECREF(result); return NULL; } #endif static int __pyx_bisect_code_objects(__Pyx_CodeObjectCacheEntry* entries, int count, int code_line) { int start = 0, mid = 0, end = count - 1; if (end >= 0 && code_line > entries[end].code_line) { return count; } while (start < end) { mid = (start + end) / 2; if (code_line < entries[mid].code_line) { end = mid; } else if (code_line > entries[mid].code_line) { start = mid + 1; } else { return mid; } } if (code_line <= entries[mid].code_line) { return mid; } else { return mid + 1; } } static PyCodeObject *__pyx_find_code_object(int code_line) { PyCodeObject* code_object; int pos; if (unlikely(!code_line) || unlikely(!__pyx_code_cache.entries)) { return NULL; } pos = __pyx_bisect_code_objects(__pyx_code_cache.entries, __pyx_code_cache.count, code_line); if (unlikely(pos >= __pyx_code_cache.count) || unlikely(__pyx_code_cache.entries[pos].code_line != code_line)) { return NULL; } code_object = __pyx_code_cache.entries[pos].code_object; Py_INCREF(code_object); return code_object; } static void __pyx_insert_code_object(int code_line, PyCodeObject* code_object) { int pos, i; __Pyx_CodeObjectCacheEntry* entries = __pyx_code_cache.entries; if (unlikely(!code_line)) { return; } if (unlikely(!entries)) { entries = (__Pyx_CodeObjectCacheEntry*)PyMem_Malloc(64*sizeof(__Pyx_CodeObjectCacheEntry)); if (likely(entries)) { __pyx_code_cache.entries = entries; __pyx_code_cache.max_count = 64; __pyx_code_cache.count = 1; entries[0].code_line = code_line; entries[0].code_object = code_object; Py_INCREF(code_object); } return; } pos = __pyx_bisect_code_objects(__pyx_code_cache.entries, __pyx_code_cache.count, code_line); if ((pos < __pyx_code_cache.count) && unlikely(__pyx_code_cache.entries[pos].code_line == code_line)) { PyCodeObject* tmp = entries[pos].code_object; entries[pos].code_object = code_object; Py_DECREF(tmp); return; } if (__pyx_code_cache.count == __pyx_code_cache.max_count) { int new_max = __pyx_code_cache.max_count + 64; entries = (__Pyx_CodeObjectCacheEntry*)PyMem_Realloc( __pyx_code_cache.entries, new_max*sizeof(__Pyx_CodeObjectCacheEntry)); if (unlikely(!entries)) { return; } __pyx_code_cache.entries = entries; __pyx_code_cache.max_count = new_max; } for (i=__pyx_code_cache.count; i>pos; i--) { entries[i] = entries[i-1]; } entries[pos].code_line = code_line; entries[pos].code_object = code_object; __pyx_code_cache.count++; Py_INCREF(code_object); } #include "compile.h" #include "frameobject.h" #include "traceback.h" static PyCodeObject* __Pyx_CreateCodeObjectForTraceback( const char *funcname, int c_line, int py_line, const char *filename) { PyCodeObject *py_code = 0; PyObject *py_srcfile = 0; PyObject *py_funcname = 0; #if PY_MAJOR_VERSION < 3 py_srcfile = PyString_FromString(filename); #else py_srcfile = PyUnicode_FromString(filename); #endif if (!py_srcfile) goto bad; if (c_line) { #if PY_MAJOR_VERSION < 3 py_funcname = PyString_FromFormat( "%s (%s:%d)", funcname, __pyx_cfilenm, c_line); #else py_funcname = PyUnicode_FromFormat( "%s (%s:%d)", funcname, __pyx_cfilenm, c_line); #endif } else { #if PY_MAJOR_VERSION < 3 py_funcname = PyString_FromString(funcname); #else py_funcname = PyUnicode_FromString(funcname); #endif } if (!py_funcname) goto bad; py_code = __Pyx_PyCode_New( 0, /*int argcount,*/ 0, /*int kwonlyargcount,*/ 0, /*int nlocals,*/ 0, /*int stacksize,*/ 0, /*int flags,*/ __pyx_empty_bytes, /*PyObject *code,*/ __pyx_empty_tuple, /*PyObject *consts,*/ __pyx_empty_tuple, /*PyObject *names,*/ __pyx_empty_tuple, /*PyObject *varnames,*/ __pyx_empty_tuple, /*PyObject *freevars,*/ __pyx_empty_tuple, /*PyObject *cellvars,*/ py_srcfile, /*PyObject *filename,*/ py_funcname, /*PyObject *name,*/ py_line, /*int firstlineno,*/ __pyx_empty_bytes /*PyObject *lnotab*/ ); Py_DECREF(py_srcfile); Py_DECREF(py_funcname); return py_code; bad: Py_XDECREF(py_srcfile); Py_XDECREF(py_funcname); return NULL; } static void __Pyx_AddTraceback(const char *funcname, int c_line, int py_line, const char *filename) { PyCodeObject *py_code = 0; PyObject *py_globals = 0; PyFrameObject *py_frame = 0; py_code = __pyx_find_code_object(c_line ? c_line : py_line); if (!py_code) { py_code = __Pyx_CreateCodeObjectForTraceback( funcname, c_line, py_line, filename); if (!py_code) goto bad; __pyx_insert_code_object(c_line ? c_line : py_line, py_code); } py_globals = PyModule_GetDict(__pyx_m); if (!py_globals) goto bad; py_frame = PyFrame_New( PyThreadState_GET(), /*PyThreadState *tstate,*/ py_code, /*PyCodeObject *code,*/ py_globals, /*PyObject *globals,*/ 0 /*PyObject *locals*/ ); if (!py_frame) goto bad; py_frame->f_lineno = py_line; PyTraceBack_Here(py_frame); bad: Py_XDECREF(py_code); Py_XDECREF(py_frame); } static int __Pyx_InitStrings(__Pyx_StringTabEntry *t) { while (t->p) { #if PY_MAJOR_VERSION < 3 if (t->is_unicode) { *t->p = PyUnicode_DecodeUTF8(t->s, t->n - 1, NULL); } else if (t->intern) { *t->p = PyString_InternFromString(t->s); } else { *t->p = PyString_FromStringAndSize(t->s, t->n - 1); } #else /* Python 3+ has unicode identifiers */ if (t->is_unicode | t->is_str) { if (t->intern) { *t->p = PyUnicode_InternFromString(t->s); } else if (t->encoding) { *t->p = PyUnicode_Decode(t->s, t->n - 1, t->encoding, NULL); } else { *t->p = PyUnicode_FromStringAndSize(t->s, t->n - 1); } } else { *t->p = PyBytes_FromStringAndSize(t->s, t->n - 1); } #endif if (!*t->p) return -1; ++t; } return 0; } static CYTHON_INLINE PyObject* __Pyx_PyUnicode_FromString(char* c_str) { return __Pyx_PyUnicode_FromStringAndSize(c_str, strlen(c_str)); } static CYTHON_INLINE char* __Pyx_PyObject_AsString(PyObject* o) { Py_ssize_t ignore; return __Pyx_PyObject_AsStringAndSize(o, &ignore); } static CYTHON_INLINE char* __Pyx_PyObject_AsStringAndSize(PyObject* o, Py_ssize_t *length) { #if __PYX_DEFAULT_STRING_ENCODING_IS_ASCII || __PYX_DEFAULT_STRING_ENCODING_IS_DEFAULT if ( #if PY_MAJOR_VERSION < 3 && __PYX_DEFAULT_STRING_ENCODING_IS_ASCII __Pyx_sys_getdefaultencoding_not_ascii && #endif PyUnicode_Check(o)) { #if PY_VERSION_HEX < 0x03030000 char* defenc_c; PyObject* defenc = _PyUnicode_AsDefaultEncodedString(o, NULL); if (!defenc) return NULL; defenc_c = PyBytes_AS_STRING(defenc); #if __PYX_DEFAULT_STRING_ENCODING_IS_ASCII { char* end = defenc_c + PyBytes_GET_SIZE(defenc); char* c; for (c = defenc_c; c < end; c++) { if ((unsigned char) (*c) >= 128) { PyUnicode_AsASCIIString(o); return NULL; } } } #endif /*__PYX_DEFAULT_STRING_ENCODING_IS_ASCII*/ *length = PyBytes_GET_SIZE(defenc); return defenc_c; #else /* PY_VERSION_HEX < 0x03030000 */ if (PyUnicode_READY(o) == -1) return NULL; #if __PYX_DEFAULT_STRING_ENCODING_IS_ASCII if (PyUnicode_IS_ASCII(o)) { *length = PyUnicode_GET_DATA_SIZE(o); return PyUnicode_AsUTF8(o); } else { PyUnicode_AsASCIIString(o); return NULL; } #else /* __PYX_DEFAULT_STRING_ENCODING_IS_ASCII */ return PyUnicode_AsUTF8AndSize(o, length); #endif /* __PYX_DEFAULT_STRING_ENCODING_IS_ASCII */ #endif /* PY_VERSION_HEX < 0x03030000 */ } else #endif /* __PYX_DEFAULT_STRING_ENCODING_IS_ASCII || __PYX_DEFAULT_STRING_ENCODING_IS_DEFAULT */ { char* result; int r = PyBytes_AsStringAndSize(o, &result, length); if (r < 0) { return NULL; } else { return result; } } } static CYTHON_INLINE int __Pyx_PyObject_IsTrue(PyObject* x) { int is_true = x == Py_True; if (is_true | (x == Py_False) | (x == Py_None)) return is_true; else return PyObject_IsTrue(x); } static CYTHON_INLINE PyObject* __Pyx_PyNumber_Int(PyObject* x) { PyNumberMethods *m; const char *name = NULL; PyObject *res = NULL; #if PY_MAJOR_VERSION < 3 if (PyInt_Check(x) || PyLong_Check(x)) #else if (PyLong_Check(x)) #endif return Py_INCREF(x), x; m = Py_TYPE(x)->tp_as_number; #if PY_MAJOR_VERSION < 3 if (m && m->nb_int) { name = "int"; res = PyNumber_Int(x); } else if (m && m->nb_long) { name = "long"; res = PyNumber_Long(x); } #else if (m && m->nb_int) { name = "int"; res = PyNumber_Long(x); } #endif if (res) { #if PY_MAJOR_VERSION < 3 if (!PyInt_Check(res) && !PyLong_Check(res)) { #else if (!PyLong_Check(res)) { #endif PyErr_Format(PyExc_TypeError, "__%s__ returned non-%s (type %.200s)", name, name, Py_TYPE(res)->tp_name); Py_DECREF(res); return NULL; } } else if (!PyErr_Occurred()) { PyErr_SetString(PyExc_TypeError, "an integer is required"); } return res; } static CYTHON_INLINE Py_ssize_t __Pyx_PyIndex_AsSsize_t(PyObject* b) { Py_ssize_t ival; PyObject* x = PyNumber_Index(b); if (!x) return -1; ival = PyInt_AsSsize_t(x); Py_DECREF(x); return ival; } static CYTHON_INLINE PyObject * __Pyx_PyInt_FromSize_t(size_t ival) { #if PY_VERSION_HEX < 0x02050000 if (ival <= LONG_MAX) return PyInt_FromLong((long)ival); else { unsigned char *bytes = (unsigned char *) &ival; int one = 1; int little = (int)*(unsigned char*)&one; return _PyLong_FromByteArray(bytes, sizeof(size_t), little, 0); } #else return PyInt_FromSize_t(ival); #endif } static CYTHON_INLINE size_t __Pyx_PyInt_AsSize_t(PyObject* x) { unsigned PY_LONG_LONG val = __Pyx_PyInt_AsUnsignedLongLong(x); if (unlikely(val != (unsigned PY_LONG_LONG)(size_t)val)) { if ((val != (unsigned PY_LONG_LONG)-1) || !PyErr_Occurred()) PyErr_SetString(PyExc_OverflowError, "value too large to convert to size_t"); return (size_t)-1; } return (size_t)val; } #endif /* Py_PYTHON_H */ PyMca5-5.2.2/PyMca5/Object3D/Object3DQhull/test.py0000644000276300001750000000520013136054446021355 0ustar solebliss00000000000000# /*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2015 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # # ###########################################################################*/ from __future__ import absolute_import, division, print_function, \ unicode_literals __author__ = "T. Vincent - ESRF Data Analysis" __contact__ = "tvincent@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" __doc__ = """Tests for Qhull wrapper.""" import numpy import threading import unittest import PyMca5.Object3D.Object3DQhull as qhull class TestDelaunay(unittest.TestCase): def testVersion(self): self.assertTrue(qhull.__version__) def _test(self, dtype): # Set of points for test tests = ( # 2D square ((0, 0), (0, 1), (1, 1), (2, 0)), # 3D ((0, 0, 0), (1, 0, 0), (1, 1, 0), (0, 2, 0), (0, 0, 3)), ) for points in tests: points = numpy.array(points, dtype=dtype) indices = qhull.delaunay(points, dtype=dtype) self.assertEqual(len(indices), 2) for simplex in indices: self.assertEqual(len(simplex), len(points[0]) + 1) def testFloat32(self): self._test(numpy.float32) def testFloat64(self): self._test(numpy.float64) if __name__ == '__main__': import sys unittest.main(argv=sys.argv) PyMca5-5.2.2/PyMca5/Object3D/Object3DQhull/Object3DQhull.c0000644000276300001750000004517613136054446022613 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2015 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # This file is free software; you can redistribute it and/or modify it # under the terms of the GNU Lesser General Public License as published by the # Free Software Foundation; either version 2 of the License, or (at your option) # any later version. # # This file is distributed in the hope that it will be useful, but WITHOUT ANY # WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS # FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more # details. # # You should have received a copy of the GNU Lesser General Public # License along with this library; if not, write to the Free Software # Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA # # Please contact the ESRF industrial unit (industry@esrf.fr) if this license # is a problem for you. # #############################################################################*/ #include #include #include #include <./numpy/arrayobject.h> #include "libqhull.h" #include "qset.h" /* for FOREACHneighbor_() */ #include "poly.h" /* for qh_vertexneighbors() */ #include "geom.h" /* for qh_facetcenter() */ struct module_state { PyObject *error; }; #if PY_MAJOR_VERSION >= 3 #define GETSTATE(m) ((struct module_state*)PyModule_GetState(m)) #else #define GETSTATE(m) (&_state) static struct module_state _state; #endif /* Doc strings */ #if (REALfloat == 1) PyDoc_STRVAR(Object3DQhull__doc__, "Object3DQhullf is just an interface module to the Qhull library.\n" " For the time being only delaunay triangulation is implemented.\n" " See http://www.qhull.org for Qhull details.\n" "\n" "Object3DQHullf.delaunay(nodes, \"qhull d Qbb QJ Qc Po\")\n" " Nodes is a sequence of points (an nrows x 2 or an nrows x 3 array)\n" " The second argument is optional.\n" " The output is an array of indices for the facets.\n"); PyDoc_STRVAR(Object3DQhull_delaunay__doc__, "delaunay(nodes, \"qhull d Qbb QJ Qc Po\")\n" " Nodes is a sequence of points (an nrows x 2 or an nrows x 3 array)\n" " The second argument is optional.\n" " http://www.qhull.org for Qhull details.\n" " The output is an array of indices for the facets.\n"); #else PyDoc_STRVAR(Object3DQhull__doc__, "Object3DQhull is just an interface module to the Qhull library.\n" " For the time being only delaunay triangulation is implemented.\n" " See http://www.qhull.org for Qhull details.\n" "\n" "Object3DQHull.delaunay(nodes, \"qhull d Qbb QJ Qc\")\n" " Nodes is a sequence of points (an nrows x 2 or an nrows x 3 array)\n" " The second argument is optional.\n" " The output is an array of indices for the facets.\n"); PyDoc_STRVAR(Object3DQhull_delaunay__doc__, "delaunay(nodes, \"qhull d Qbb QJ Qc\")\n" " Nodes is a sequence of points (an nrows x 2 or an nrows x 3 array)\n" " The second argument is optional.\n" " http://www.qhull.org for Qhull details.\n" " The output is an array of indices for the facets.\n"); #endif /* Function declarations */ static PyObject *object3DDelaunay(PyObject *dummy, PyObject *args); static PyObject *object3DVoronoi(PyObject *dummy, PyObject *args); static void qhullResultFailure(PyObject * self, int qhull_exitcode); static PyObject *getQhullVersion(PyObject *dummy, PyObject *args); static PyObject *object3DDelaunay(PyObject *self, PyObject *args) { /* input parameters */ PyObject *input1, *input3=NULL; const char *input2 = NULL; /* local variables */ PyArrayObject *pointArray, *inner_pointArray=NULL; PyArrayObject *result, *inner_result=NULL ; coordT *points; /* Qhull */ int dimension; /* Qhull */ int nPoints; /* Qhull */ int inner_nPoints = 0; /* Qhull */ int qhullResult; /* Qhull exit code, 0 means no error */ boolT ismalloc = False; /* True if Qhull should free points in qh_freeqhull() or reallocation */ //char cQhullDefaultFlags[] = "qhull d Qbb Qt"; /* Qhull flags (see doc)*/ #if (REALfloat == 1) char cQhullDefaultFlags[] = "qhull d Qbb QJ Qc Po"; /* Qhull flags (see doc) Po is to ignore precision errors*/ #else char cQhullDefaultFlags[] = "qhull d Qbb QJ Qc"; /* Qhull flags (see doc)*/ #endif char *cQhullFlags; int nFacets = 0; npy_intp outDimensions[3]; facetT *facet; /* needed by FORALLfacets */ vertexT *vertex, **vertexp; int j, i; #if (REALfloat == 1) float *p; float bestdist; float point[4]; #else double *p; double bestdist; double point[4]; #endif unsigned int *uintP; boolT isoutside; struct module_state *st = GETSTATE(self); /* ------------- statements ---------------*/ if (!PyArg_ParseTuple(args, "O|zO", &input1, &input2, &input3 )) { PyErr_SetString(st->error, "Unable to parse arguments"); return NULL; } /* The array containing the points */ #if (REALfloat == 1) pointArray = (PyArrayObject *) PyArray_ContiguousFromAny(input1, PyArray_FLOAT,2,2); if(input3) { inner_pointArray = (PyArrayObject *) PyArray_ContiguousFromAny(input3, PyArray_FLOAT,2,2); if(!inner_pointArray) { PyErr_SetString(st->error, "third argument if given must be a nrows x X array"); return NULL; } } #else pointArray = (PyArrayObject *) PyArray_ContiguousFromAny(input1, PyArray_DOUBLE,2,2); if(input3) { inner_pointArray = (PyArrayObject *) PyArray_ContiguousFromAny(input3, PyArray_DOUBLE,2,2); if(!inner_pointArray) { PyErr_SetString(st->error, "third argument if given must be a nrows x X array"); return NULL; } } #endif if (pointArray == NULL) { PyErr_SetString(st->error, "First argument is not a nrows x X array"); return NULL; } if (input2 == NULL) { cQhullFlags = &cQhullDefaultFlags[0]; } else { cQhullFlags = (char *) input2; } /* printf("flags = %s\n", cQhullFlags); */ /* dimension to pass to Qhull */ dimension = (int) pointArray->dimensions[1]; /* number of points for Qhull */ nPoints = (int) pointArray->dimensions[0]; /* the points themselves for Qhull */ points = (coordT *) pointArray->data; qhullResult = qh_new_qhull(dimension, nPoints, points, ismalloc, cQhullFlags, NULL, stderr); if (qhullResult) { /* Free the memory allocated by Qhull */ qh_freeqhull(qh_ALL); Py_DECREF (pointArray); if(input3) { Py_DECREF (inner_pointArray); } qhullResultFailure(self, qhullResult); return NULL; } /* Get the number of facets */ /* Probably there is a better way to do it */ FORALLfacets { if (facet->upperdelaunay) continue; nFacets ++; } /* printf("Number of facets = %d\n", nFacets); */ /* Allocate the memory for the output array */ if (0) // As triangles { /* It has the form: [nfacets, dimension, 3] */ outDimensions[0] = nFacets; outDimensions[1] = 3; outDimensions[2] = dimension; result = (PyArrayObject *) PyArray_SimpleNew(3, outDimensions, PyArray_FLOAT); if (result == NULL) { qh_freeqhull(qh_ALL); Py_DECREF (pointArray); if(input3) { Py_DECREF (inner_pointArray); } PyErr_SetString(st->error, "Error allocating output memory"); return NULL; } #if (REALfloat == 1) p = (float *) result->data; #else p = (double *) result->data; #endif FORALLfacets { if (facet->upperdelaunay) continue; FOREACHvertex_(facet->vertices) { for (j = 0; j < (qh hull_dim - 1); ++j) { *p = vertex->point[j]; ++p; } } } } else // As indices { outDimensions[0] = nFacets; outDimensions[1] = dimension+1 ; result = (PyArrayObject *) PyArray_SimpleNew(2, outDimensions, PyArray_UINT32); if( input3 ) { inner_nPoints = (int) inner_pointArray->dimensions[0]; outDimensions[0] = inner_nPoints; outDimensions[1] = dimension+1; inner_result = (PyArrayObject *) PyArray_SimpleNew(2, outDimensions, PyArray_UINT32); if (inner_result == NULL) { qh_freeqhull(qh_ALL); Py_DECREF (pointArray); Py_DECREF (inner_pointArray); PyErr_SetString(st->error, "Error allocating output memory for inner points facets"); return NULL; } } if (result == NULL) { qh_freeqhull(qh_ALL); Py_DECREF (pointArray); { if(inner_pointArray) { Py_DECREF (inner_pointArray) ; } } PyErr_SetString(st->error, "Error allocating output memory"); return NULL; } uintP = (unsigned int *) result->data; FORALLfacets { if (facet->upperdelaunay) continue; FOREACHvertex_(facet->vertices) { *uintP = qh_pointid(vertex->point); ++uintP; } } if(input3) { uintP = (unsigned int *) inner_result->data; #if (REALfloat == 1) p = (float *) inner_pointArray->data; #else p = (double *) inner_pointArray->data; #endif for (i=0; i< inner_nPoints; i++) { for(j=0; jupperdelaunay && facet->simplicial) { FOREACHvertex_(facet->vertices) { *uintP = qh_pointid(vertex->point); ++uintP; } } else { qh_freeqhull(qh_ALL); Py_DECREF (pointArray); if(pointArray) { Py_DECREF (inner_pointArray); } PyErr_SetString(st->error, "Error allocating output memory"); return NULL; } } } } /* Free the memory allocated by Qhull */ qh_freeqhull(qh_ALL); Py_DECREF (pointArray); if( input3==NULL) { return PyArray_Return(result); } else { return Py_BuildValue("NN", result, inner_result ); } } static PyObject *object3DVoronoi(PyObject *self, PyObject *args) { /* input parameters */ PyObject *input1, *input3=NULL; const char *input2 = NULL; /* local variables */ PyArrayObject *pointArray, *inner_pointArray=NULL; PyArrayObject *result; coordT *points; /* Qhull */ int dimension; /* Qhull */ int nPoints; /* Qhull */ int qhullResult; /* Qhull exit code, 0 means no error */ boolT ismalloc = False; /* True if Qhull should free points in qh_freeqhull() or reallocation */ #if (REALfloat == 1) char cQhullDefaultFlags[] = "qhull v p"; /* Qhull flags (see doc) Po is to ignore precision errors*/ #else char cQhullDefaultFlags[] = "qhull v p"; /* Qhull flags (see doc)*/ #endif char *cQhullFlags; int nFacets = 0; npy_intp outDimensions[2]; facetT *facet; /* needed by FORALLfacets */ pointT *center; int j, i; #if (REALfloat == 1) float *p; #else double *p; #endif struct module_state *st = GETSTATE(self); /* ------------- statements ---------------*/ if (!PyArg_ParseTuple(args, "O|zO", &input1, &input2, &input3 )) { PyErr_SetString(st->error, "Unable to parse arguments"); return NULL; } /* The array containing the points */ #if (REALfloat == 1) pointArray = (PyArrayObject *) PyArray_ContiguousFromAny(input1, PyArray_FLOAT,2,2); if(input3) { inner_pointArray = (PyArrayObject *) PyArray_ContiguousFromAny(input3, PyArray_FLOAT,2,2); if(!inner_pointArray) { PyErr_SetString(st->error, "third argument if given must be a nrows x X array"); return NULL; } } #else pointArray = (PyArrayObject *) PyArray_ContiguousFromAny(input1, PyArray_DOUBLE,2,2); if(input3) { inner_pointArray = (PyArrayObject *) PyArray_ContiguousFromAny(input3, PyArray_DOUBLE,2,2); if(!inner_pointArray) { PyErr_SetString(st->error, "third argument if given must be a nrows x X array"); return NULL; } } #endif if (pointArray == NULL) { PyErr_SetString(st->error, "First argument is not a nrows x X array"); return NULL; } if (input2 == NULL) { cQhullFlags = &cQhullDefaultFlags[0]; } else { cQhullFlags = (char *) input2; } /* printf("flags = %s\n", cQhullFlags); */ /* dimension to pass to Qhull */ dimension = (int) pointArray->dimensions[1]; /* number of points for Qhull */ nPoints = (int) pointArray->dimensions[0]; /* the points themselves for Qhull */ points = (coordT *) pointArray->data; qhullResult = qh_new_qhull(dimension, nPoints, points, ismalloc, cQhullFlags, NULL, stderr); if (qhullResult) { /* Free the memory allocated by Qhull */ qh_freeqhull(qh_ALL); Py_DECREF (pointArray); if(input3) { Py_DECREF (inner_pointArray); } qhullResultFailure(self, qhullResult); return NULL; } /* Get the number of facets */ /* Probably there is a better way to do it */ i = 0; FORALLfacets { if (facet->upperdelaunay) continue; i += 1; printf("Facet number %d\n", i); nFacets ++; } printf("Number of facets = %d\n", nFacets); /* Allocate the memory for the output array */ /* It has the form: [nfacets, dimension, 3] */ outDimensions[0] = nFacets; outDimensions[1] = dimension; //outDimensions[2] = dimension; printf("output dimensions = %ld, %ld\n", outDimensions[0], outDimensions[1]); result = (PyArrayObject *) PyArray_SimpleNew(2, outDimensions, PyArray_DOUBLE); if (result == NULL) { qh_freeqhull(qh_ALL); Py_DECREF (pointArray); if(input3) { Py_DECREF (inner_pointArray); } PyErr_SetString(st->error, "Error allocating output memory"); return NULL; } #if (REALfloat == 1) printf("FLOAT\n"); p = (float *) result->data; #else p = (double *) result->data; printf("DOUBLE\n"); #endif printf("qh hull_dim = %d\n", qh hull_dim); i = 0; if (1) { FORALLfacets { if (facet->upperdelaunay) continue; if (facet->visitid > 0) { i += 1; center = qh_facetcenter(facet->vertices); for (j = 0; j < (qh hull_dim - 1); ++j) { printf("vertex[%d] = %f\n", j, center[j]); //p = ((double *) result->data) + (facet->visitid-1) * dimension + j; *p = center[j]; p++; } } } printf("Number of Voronoi vertices = %d\n", i); } printf("PASSED LOOP\n"); /* Free the memory allocated by Qhull */ qh_freeqhull(qh_ALL); Py_DECREF (pointArray); return PyArray_Return(result); } static void qhullResultFailure(PyObject * self, int qhull_exitcode) { struct module_state *st = GETSTATE(self); switch (qhull_exitcode) { case qh_ERRinput: PyErr_BadInternalCall (); break; case qh_ERRsingular: PyErr_SetString(PyExc_ArithmeticError, "qhull singular input data"); break; case qh_ERRprec: PyErr_SetString(PyExc_ArithmeticError, "qhull precision error"); break; case qh_ERRmem: PyErr_NoMemory(); break; case qh_ERRqhull: PyErr_SetString(st->error, "qhull internal error"); break; } } static PyObject *getQhullVersion(PyObject *self, PyObject *args) { #if PY_MAJOR_VERSION >= 3 return PyUnicode_DecodeASCII(qh_version, strlen(qh_version), NULL); #else return PyString_FromString(qh_version); #endif } /* Module methods */ static PyMethodDef Object3DQhullMethods[] = { {"delaunay", object3DDelaunay, METH_VARARGS, Object3DQhull_delaunay__doc__}, {"voronoi", object3DVoronoi, METH_VARARGS, Object3DQhull_delaunay__doc__}, {"version", getQhullVersion, METH_VARARGS}, {NULL, NULL, 0, NULL} /* sentinel */ }; #if (REALfloat == 1) #define MOD_NAME "Object3DQhullf" #else #define MOD_NAME "Object3DQhull" #endif #if PY_MAJOR_VERSION >= 3 static int Object3DQhull_traverse(PyObject *m, visitproc visit, void *arg) { Py_VISIT(GETSTATE(m)->error); return 0; } static int Object3DQhull_clear(PyObject *m) { Py_CLEAR(GETSTATE(m)->error); return 0; } static struct PyModuleDef moduledef = { PyModuleDef_HEAD_INIT, MOD_NAME, Object3DQhull__doc__, sizeof(struct module_state), Object3DQhullMethods, NULL, Object3DQhull_traverse, Object3DQhull_clear, NULL }; #define INITERROR return NULL #if (REALfloat == 1) PyObject * PyInit_Object3DQhullf(void) #else PyObject * PyInit_Object3DQhull(void) #endif #else #define INITERROR return #if (REALfloat == 1) void initObject3DQhullf(void) #else void initObject3DQhull(void) #endif #endif { struct module_state *st; #if PY_MAJOR_VERSION >= 3 PyObject *module = PyModule_Create(&moduledef); #else PyObject *module = Py_InitModule3(MOD_NAME, Object3DQhullMethods, Object3DQhull__doc__); #endif if (module == NULL) INITERROR; st = GETSTATE(module); st->error = PyErr_NewException("Object3DQhull.error", NULL, NULL); if (st->error == NULL) { Py_DECREF(module); INITERROR; } import_array() #if PY_MAJOR_VERSION >= 3 return module; #endif } PyMca5-5.2.2/PyMca5/Object3D/SceneWidget.py0000644000276300001750000000525113136054446020202 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # This file is free software; you can redistribute it and/or modify it # under the terms of the GNU Lesser General Public License as published by the # Free Software Foundation; either version 2 of the License, or (at your option) # any later version. # # This file is distributed in the hope that it will be useful, but WITHOUT ANY # WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS # FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more # details. # # You should have received a copy of the GNU Lesser General Public # License along with this library; if not, write to the Free Software # Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA # # Please contact the ESRF industrial unit (industry@esrf.fr) if this license # is a problem for you. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "LGPL2+" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys from . import Object3DQt as qt from . import SceneTree QTVERSION = qt.qVersion() DEBUG = 0 class SceneWidget(qt.QWidget): sigSceneWidgetSignal = qt.pyqtSignal(object) def __init__(self, parent = None, scene = None): qt.QWidget.__init__(self, parent) self.setWindowTitle('Scene Widget') self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setContentsMargins(0, 0, 0, 0) if scene is None: tree = None else: tree = scene.tree self.treeWidget = SceneTree.Object3DObjectTree(self, tree=tree) self.tree = self.treeWidget.tree self.mainLayout.addWidget(self.treeWidget) self.treeWidget.sigObjectTreeSignal.connect(self._treeWidgetSignal) def _treeWidgetSignal(self, ddict): self.emitSignal(ddict['event'], ddict) def emitSignal(self, event, ddict = None): if ddict is None: ddict = {} ddict['event'] = event self.sigSceneWidgetSignal.emit(ddict) def updateView(self, expand=True): return self.treeWidget.updateView(expand=expand) def setSelectedObject(self, name=None): return self.treeWidget.setSelectedObject(name) if __name__ == "__main__": app = qt.QApplication([]) w = SceneWidget() w.show() app.exec_() PyMca5-5.2.2/PyMca5/Object3D/Object3DBase.py0000644000276300001750000003761013136054446020175 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # This file is free software; you can redistribute it and/or modify it # under the terms of the GNU Lesser General Public License as published by the # Free Software Foundation; either version 2 of the License, or (at your option) # any later version. # # This file is distributed in the hope that it will be useful, but WITHOUT ANY # WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS # FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more # details. # # You should have received a copy of the GNU Lesser General Public # License along with this library; if not, write to the Free Software # Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA # # Please contact the ESRF industrial unit (industry@esrf.fr) if this license # is a problem for you. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "LGPL2+" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import numpy import weakref import sys from . import Object3DQt as qt from . import Object3DPrivateConfig try: import OpenGL.GL as GL except ImportError: raise ImportError("OpenGL must be installed to use these functionalities") DEBUG = 0 DRAW_MODES = ['NONE', 'POINT', 'WIRE', 'SURFACE'] #'LIGHT', #'POINT_SELECTION'] class Object3D(object): def __init__(self, name = "Object3D"): self._configuration ={} #default limits self._limits = numpy.zeros((2,3), numpy.float32) self._limits[1,0] = 1.0 self._limits[1,1] = 1.0 self._limitsChanged = False self.__name = name #the possible private configuration widget self._privateConfigurationWidget = None self.initCommonConfiguration(name) self.initPrivateConfiguration(name) # the object should know if it is the active object self._selected = False # vertex selection mode self._vertexSelectionMode = False #bounding box gl list self.boundingBoxList = 0 #bounding box indices #Bottom XY plane self._bottomPlane = numpy.zeros(5).astype(numpy.uint32) self._bottomPlane[0] = 0 self._bottomPlane[1] = 2 self._bottomPlane[2] = 6 self._bottomPlane[3] = 4 self._bottomPlane[4] = 0 #Top XY plane self._topPlane = numpy.zeros(5).astype(numpy.uint32) self._topPlane[0] = 1 self._topPlane[1] = 3 self._topPlane[2] = 7 self._topPlane[3] = 5 self._topPlane[4] = 1 #Parallel edges self._edges = numpy.arange(8).astype(numpy.uint32) def __del__(self): if GL is not None: if self.boundingBoxList != 0: GL.glDeleteLists(self.boundingBoxList, 1) if DEBUG: print("DELETING Object3d base") print(self.name(), "DELETED") def name(self): return self.__name def isVertexSelectionModeSupported(self): return False def setVertexSelectionMode(self, flag): # This is to tell the widget the application is trying # to get information about a vertex. self._vertexSelectionMode = flag def initCommonConfiguration(self, name): """ Fills the default configuration features found in all objects """ ddict = {} ddict['name'] = name ddict['pointsize'] = 1.0 #always supported ddict['linewidth'] = 1.0 #always supported ddict['transparency'] = 0.0 #solid color #scaling parameters ddict['scale'] = [1.0, 1.0, 1.0] ddict['scalefactor'] = 1.0 #default anchoring is the origin ddict['anchor'] = [0, 0, 0] #warning:these are flags #translation ddict['translation'] = [0.0, 0.0, 0.0] #rotation in (degrees) ddict['rotation'] = [ 0.0, 0.0, 0.0] #drawing modes ddict['drawingmodes'] = DRAW_MODES #current mode ddict['mode'] = 0 #supported modes supportedModes = [] for i in range(len(DRAW_MODES)): supportedModes.append(i) supportedModes [0] = 1 #no drawing is always possible ddict['supportedmodes'] = supportedModes #show bounding box ddict['bboxflag'] = 0 #limits ddict['showlimits'] = [0, 0, 0] #clipping planes #clipping planes have the form [flag, A, B, C, D] ddict['clippingplanes'] = [[0, 0.0, 0.0, 1.0, 0.0], #XY [0, 0.0, 1.0, 0.0, 0.0], #XZ [0, 1.0, 0.0, 0.0, 0.0], #YZ [0, 0.0, 0.0, 1.0, 0.0]] #U0 ddict['limits'] = self.getLimits() ddict['colormap'] = [2, True, 0, 1, -10, 10, 0] self._configuration['common'] = ddict def initPrivateConfiguration(self, name): """ Specific configuration. To be overwitten """ self._configuration['private'] = {} if self._privateConfigurationWidget is None: self._privateConfigurationWidget = Object3DPrivateConfig.Object3DPrivateConfig(None, name=name) self._configuration['private']['widget'] = weakref.proxy(self._privateConfigurationWidget) def getConfiguration(self): return self._configuration def setConfiguration(self, ddict): """ You will very likely overwrite this method """ if "common" in ddict: self._configuration['common'].update(ddict['common']) if "private" in ddict: #do not overwrite widget!!! widget = self._configuration['private']['widget'] self._configuration['private'].update(ddict['private']) if widget is not None: #restore former widget self._configuration['private']['widget'] = widget def setSelected(self, flag = True): self._selected = flag def selected(self): return self._selected def getLimits(self): """ This method returns the limits of the object Typically will be its bounding box. The form is a 2 row numpy array: [[xmin, ymin, zmin], [xmax, ymax, zmax]] """ return self._limits def setLimits(self, xmin, ymin, zmin, xmax, ymax, zmax): self._limits[0,:] = xmin, ymin, zmin self._limits[1,:] = xmax, ymax, zmax self._limitsArray = numpy.zeros((8,3), numpy.float32) i = 0 for x in [xmin, xmax]: for y in [ymin, ymax]: for z in [zmin, zmax]: self._limitsArray[i, 0] = x self._limitsArray[i, 1] = y self._limitsArray[i, 2] = z i += 1 self._limitsChanged = True self._configuration['common']['limits'] = self._limits def draw(self): """ This is the method called to perform all the openGL stuff. The default implementation calls drawObject. If the objects is selected, it also calls drawBoundingBox. Perhaps, you should consider overwriting just drawObject in your application. """ self.enableClippingPlanes() self.drawObject() self.disableClippingPlanes() #Default implementattion: #A selected object draws its bounding box #unless we are selecting but in that case it does not get here. if self._selected: if not self._vertexSelectionMode: self.drawBoundingBox() def enableClippingPlanes(self): plane = self._configuration['common']['clippingplanes'] GL.glClipPlane(GL.GL_CLIP_PLANE0, plane[0][1:]) GL.glClipPlane(GL.GL_CLIP_PLANE1, plane[1][1:]) GL.glClipPlane(GL.GL_CLIP_PLANE2, plane[2][1:]) GL.glClipPlane(GL.GL_CLIP_PLANE3, plane[3][1:]) if plane[0][0]: GL.glEnable(GL.GL_CLIP_PLANE0) if plane[1][0]: GL.glEnable(GL.GL_CLIP_PLANE1) if plane[2][0]: GL.glEnable(GL.GL_CLIP_PLANE2) if plane[3][0]: GL.glEnable(GL.GL_CLIP_PLANE3) def disableClippingPlanes(self): plane = self._configuration['common']['clippingplanes'] GL.glDisable(GL.GL_CLIP_PLANE0) GL.glDisable(GL.GL_CLIP_PLANE1) GL.glDisable(GL.GL_CLIP_PLANE2) GL.glDisable(GL.GL_CLIP_PLANE3) def drawObject(self): pass def drawCoordinates(self): if self._coordinates is not None: self._coordinates.draw() def drawBoundingBox(self): if 0: self.drawBoundingBoxNew() else: self.drawBoundingBoxOld() def drawBoundingBoxNew(self): #should I consider the alpha? alpha = 1. - self._configuration['common']['transparency'] GL.glColor4f(0., 0., 0., alpha) GL.glVertexPointerf(self._limitsArray) GL.glEnableClientState(GL.GL_VERTEX_ARRAY) GL.glDrawElements(GL.GL_LINE_STRIP, 5, GL.GL_UNSIGNED_INT, self._bottomPlane) GL.glDrawElements(GL.GL_LINE_STRIP, 5, GL.GL_UNSIGNED_INT, self._topPlane) GL.glDrawElements(GL.GL_LINES, 8, GL.GL_UNSIGNED_INT, self._edges) GL.glDisableClientState(GL.GL_VERTEX_ARRAY) def drawBoundingBoxOld(self): if self.boundingBoxList == 0: self.buildBoundingBoxList() else: if self._limitsChanged: #the old bounding box list is not valid GL.glDeleteLists(self.boundingBoxList, 1) self.buildBoundingBoxList() #should I consider the alpha? alpha = 1. - self._configuration['common']['transparency'] GL.glColor4f(0., 0., 0., alpha) GL.glCallList(self.boundingBoxList) def buildBoundingBoxList(self): (xmin, ymin, zmin) = self._limits[0,:] (xmax, ymax, zmax) = self._limits[1,:] self.boundingBoxList = GL.glGenLists(1) GL.glColor3f(0.5, 0.0, 0.0) # Bottom XY plane GL.glNewList(self.boundingBoxList, GL.GL_COMPILE) GL.glBegin(GL.GL_LINE_STRIP) GL.glVertex3f(xmin, ymin, zmin) GL.glVertex3f(xmax, ymin, zmin) GL.glVertex3f(xmax, ymax, zmin) GL.glVertex3f(xmin, ymax, zmin) GL.glVertex3f(xmin, ymin, zmin) GL.glEnd() # Top XY plane GL.glBegin(GL.GL_LINE_STRIP) GL.glVertex3f(xmin, ymin, zmax) GL.glVertex3f(xmax, ymin, zmax) GL.glVertex3f(xmax, ymax, zmax) GL.glVertex3f(xmin, ymax, zmax) GL.glVertex3f(xmin, ymin, zmax) GL.glEnd() # Parallel edges GL.glBegin(GL.GL_LINES) GL.glVertex3f(xmin, ymin, zmin) GL.glVertex3f(xmin, ymin, zmax) GL.glVertex3f(xmax, ymin, zmin) GL.glVertex3f(xmax, ymin, zmax) GL.glVertex3f(xmin, ymax, zmin) GL.glVertex3f(xmin, ymax, zmax) GL.glVertex3f(xmax, ymax, zmin) GL.glVertex3f(xmax, ymax, zmax) GL.glEnd() #self.buildTicks() GL.glEndList() def buildTicks(self): (xmin, ymin, zmin) = self._limits[0,:] (xmax, ymax, zmax) = self._limits[1,:] xdelta = self.getTickDelta(xmin, xmax) ydelta = self.getTickDelta(ymin, ymax) zdelta = self.getTickDelta(zmin, zmax) p = 30. xTickSize = (xmax - xmin)/p yTickSize = (ymax - ymin)/p zTickSize = (zmax - zmin)/p if xdelta > 0: GL.glBegin(GL.GL_LINES) x = xmin + xdelta while x <= xmax: GL.glVertex3f(x, ymin, zmin) GL.glVertex3f(x, ymin + yTickSize, zmin) GL.glVertex3f(x, ymax, zmin) GL.glVertex3f(x, ymax - yTickSize, zmin) x += xdelta GL.glEnd() if ydelta > 0: GL.glBegin(GL.GL_LINES) y = ymin + ydelta while y <= ymax: GL.glVertex3f(xmin, y, zmin) GL.glVertex3f(xmin + xTickSize, y, zmin) GL.glVertex3f(xmax, y, zmin) GL.glVertex3f(xmax - xTickSize, y, zmin) y += ydelta GL.glEnd() if zdelta > 0: GL.glBegin(GL.GL_LINES) z = zmin + zdelta while z <= zmax: GL.glVertex3f(xmin, ymin, z) GL.glVertex3f(xmin + xTickSize, ymin, z) GL.glVertex3f(xmax, ymin, z) GL.glVertex3f(xmax - xTickSize, ymin, z) GL.glVertex3f(xmin, ymin, z) GL.glVertex3f(xmin, ymin + yTickSize, z) GL.glVertex3f(xmin, ymax, z) GL.glVertex3f(xmin, ymax - yTickSize, z) z += zdelta GL.glEnd() def getTickDelta(self, minval0, maxval0, nticks = 5): if minval0 < 0: minval = -minval0 else: minval = minval0 if maxval0 < 0: maxval = -maxval0 else: maxval = maxval0 if minval > maxval: temp = minval * 1.0 minval = maxval * 1.0 maxval = temp #both are positive now delta = maxval - minval if delta <= 0: stepInterval = 1 else: stepInterval = pow(10.0, int(numpy.log10(maxval - minval))+1) finalInterval = stepInterval * 1 ticks = (maxval - minval)/ stepInterval counter = 0 divider = 1.0 while ticks < nticks: if (counter % 3) == 0: divider = 2. elif (counter % 3) == 1: divider = 5. elif (counter % 3) == 2: divider = 1. stepInterval /= 10. counter += 1 finalInterval = stepInterval/divider ticks = (maxval-minval)/ finalInterval return finalInterval def getIndexValues(self, index): """ To be overwritten. Expected to give back x, y, z, I for index """ return None, None, None, None def updatePrivateConfigurationWidget(self): # This rarely be called from here unless for initialization. # The graphic interface should deal with the configuration. if hasPrivateConfigurationWidget(): return self._privateConfigurationWidget.setConfiguration(self._configuration) else: return True def hasPrivateConfigurationWidget(self): if self._privateConfigurationWidget is not None: return True else: return False def getObject3DInstance(config=None): return Object3D() if __name__ == "__main__": app = qt.QApplication(sys.argv) name = "Base 3D-Object" object3D = Object3D(name) object3D.setLimits(10.0, 10.0, 10., 30., 30., 30) object3D.setSelected(1) #otherways we'll see nothing if 0: import SceneGLWidget window = SceneGLWidget.SceneGLWidget() window.addObject3D(object3D, name) window.show() else: import SceneGLWindow window = SceneGLWindow.SceneGLWindow() #Needed to initialize SceneGLWidget window.show() window.addObject(object3D, name, update_scene=False) #window.glWidget.setZoomFactor(window.glWidget.getZoomFactor()) window.glWidget.setZoomFactor(0.9) app.exec_() PyMca5-5.2.2/PyMca5/Object3D/Object3DRedBookFont.py0000644000276300001750000002542013136054446021473 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # This file is free software; you can redistribute it and/or modify it # under the terms of the GNU Lesser General Public License as published by the # Free Software Foundation; either version 2 of the License, or (at your option) # any later version. # # This file is distributed in the hope that it will be useful, but WITHOUT ANY # WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS # FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more # details. # # You should have received a copy of the GNU Lesser General Public # License along with this library; if not, write to the Free Software # Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA # # Please contact the ESRF industrial unit (industry@esrf.fr) if this license # is a problem for you. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "LGPL2+" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import OpenGL.GL as GL import numpy from . import Object3DQt as qt rasters = numpy.array([ [0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00], [0x00, 0x00, 0x18, 0x18, 0x00, 0x00, 0x18, 0x18, 0x18, 0x18, 0x18, 0x18, 0x18], [0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x36, 0x36, 0x36, 0x36], [0x00, 0x00, 0x00, 0x66, 0x66, 0xff, 0x66, 0x66, 0xff, 0x66, 0x66, 0x00, 0x00], [0x00, 0x00, 0x18, 0x7e, 0xff, 0x1b, 0x1f, 0x7e, 0xf8, 0xd8, 0xff, 0x7e, 0x18], [0x00, 0x00, 0x0e, 0x1b, 0xdb, 0x6e, 0x30, 0x18, 0x0c, 0x76, 0xdb, 0xd8, 0x70], [0x00, 0x00, 0x7f, 0xc6, 0xcf, 0xd8, 0x70, 0x70, 0xd8, 0xcc, 0xcc, 0x6c, 0x38], [0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x18, 0x1c, 0x0c, 0x0e], [0x00, 0x00, 0x0c, 0x18, 0x30, 0x30, 0x30, 0x30, 0x30, 0x30, 0x30, 0x18, 0x0c], [0x00, 0x00, 0x30, 0x18, 0x0c, 0x0c, 0x0c, 0x0c, 0x0c, 0x0c, 0x0c, 0x18, 0x30], [0x00, 0x00, 0x00, 0x00, 0x99, 0x5a, 0x3c, 0xff, 0x3c, 0x5a, 0x99, 0x00, 0x00], [0x00, 0x00, 0x00, 0x18, 0x18, 0x18, 0xff, 0xff, 0x18, 0x18, 0x18, 0x00, 0x00], [0x00, 0x00, 0x30, 0x18, 0x1c, 0x1c, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00], [0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xff, 0xff, 0x00, 0x00, 0x00, 0x00, 0x00], [0x00, 0x00, 0x00, 0x38, 0x38, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00], [0x00, 0x60, 0x60, 0x30, 0x30, 0x18, 0x18, 0x0c, 0x0c, 0x06, 0x06, 0x03, 0x03], [0x00, 0x00, 0x3c, 0x66, 0xc3, 0xe3, 0xf3, 0xdb, 0xcf, 0xc7, 0xc3, 0x66, 0x3c], [0x00, 0x00, 0x7e, 0x18, 0x18, 0x18, 0x18, 0x18, 0x18, 0x18, 0x78, 0x38, 0x18], [0x00, 0x00, 0xff, 0xc0, 0xc0, 0x60, 0x30, 0x18, 0x0c, 0x06, 0x03, 0xe7, 0x7e], [0x00, 0x00, 0x7e, 0xe7, 0x03, 0x03, 0x07, 0x7e, 0x07, 0x03, 0x03, 0xe7, 0x7e], [0x00, 0x00, 0x0c, 0x0c, 0x0c, 0x0c, 0x0c, 0xff, 0xcc, 0x6c, 0x3c, 0x1c, 0x0c], [0x00, 0x00, 0x7e, 0xe7, 0x03, 0x03, 0x07, 0xfe, 0xc0, 0xc0, 0xc0, 0xc0, 0xff], [0x00, 0x00, 0x7e, 0xe7, 0xc3, 0xc3, 0xc7, 0xfe, 0xc0, 0xc0, 0xc0, 0xe7, 0x7e], [0x00, 0x00, 0x30, 0x30, 0x30, 0x30, 0x18, 0x0c, 0x06, 0x03, 0x03, 0x03, 0xff], [0x00, 0x00, 0x7e, 0xe7, 0xc3, 0xc3, 0xe7, 0x7e, 0xe7, 0xc3, 0xc3, 0xe7, 0x7e], [0x00, 0x00, 0x7e, 0xe7, 0x03, 0x03, 0x03, 0x7f, 0xe7, 0xc3, 0xc3, 0xe7, 0x7e], [0x00, 0x00, 0x00, 0x38, 0x38, 0x00, 0x00, 0x38, 0x38, 0x00, 0x00, 0x00, 0x00], [0x00, 0x00, 0x30, 0x18, 0x1c, 0x1c, 0x00, 0x00, 0x1c, 0x1c, 0x00, 0x00, 0x00], [0x00, 0x00, 0x06, 0x0c, 0x18, 0x30, 0x60, 0xc0, 0x60, 0x30, 0x18, 0x0c, 0x06], [0x00, 0x00, 0x00, 0x00, 0xff, 0xff, 0x00, 0xff, 0xff, 0x00, 0x00, 0x00, 0x00], [0x00, 0x00, 0x60, 0x30, 0x18, 0x0c, 0x06, 0x03, 0x06, 0x0c, 0x18, 0x30, 0x60], [0x00, 0x00, 0x18, 0x00, 0x00, 0x18, 0x18, 0x0c, 0x06, 0x03, 0xc3, 0xc3, 0x7e], [0x00, 0x00, 0x3f, 0x60, 0xcf, 0xdb, 0xd3, 0xdd, 0xc3, 0x7e, 0x00, 0x00, 0x00], [0x00, 0x00, 0xc3, 0xc3, 0xc3, 0xc3, 0xff, 0xc3, 0xc3, 0xc3, 0x66, 0x3c, 0x18], [0x00, 0x00, 0xfe, 0xc7, 0xc3, 0xc3, 0xc7, 0xfe, 0xc7, 0xc3, 0xc3, 0xc7, 0xfe], [0x00, 0x00, 0x7e, 0xe7, 0xc0, 0xc0, 0xc0, 0xc0, 0xc0, 0xc0, 0xc0, 0xe7, 0x7e], [0x00, 0x00, 0xfc, 0xce, 0xc7, 0xc3, 0xc3, 0xc3, 0xc3, 0xc3, 0xc7, 0xce, 0xfc], [0x00, 0x00, 0xff, 0xc0, 0xc0, 0xc0, 0xc0, 0xfc, 0xc0, 0xc0, 0xc0, 0xc0, 0xff], [0x00, 0x00, 0xc0, 0xc0, 0xc0, 0xc0, 0xc0, 0xc0, 0xfc, 0xc0, 0xc0, 0xc0, 0xff], [0x00, 0x00, 0x7e, 0xe7, 0xc3, 0xc3, 0xcf, 0xc0, 0xc0, 0xc0, 0xc0, 0xe7, 0x7e], [0x00, 0x00, 0xc3, 0xc3, 0xc3, 0xc3, 0xc3, 0xff, 0xc3, 0xc3, 0xc3, 0xc3, 0xc3], [0x00, 0x00, 0x7e, 0x18, 0x18, 0x18, 0x18, 0x18, 0x18, 0x18, 0x18, 0x18, 0x7e], [0x00, 0x00, 0x7c, 0xee, 0xc6, 0x06, 0x06, 0x06, 0x06, 0x06, 0x06, 0x06, 0x06], [0x00, 0x00, 0xc3, 0xc6, 0xcc, 0xd8, 0xf0, 0xe0, 0xf0, 0xd8, 0xcc, 0xc6, 0xc3], [0x00, 0x00, 0xff, 0xc0, 0xc0, 0xc0, 0xc0, 0xc0, 0xc0, 0xc0, 0xc0, 0xc0, 0xc0], [0x00, 0x00, 0xc3, 0xc3, 0xc3, 0xc3, 0xc3, 0xc3, 0xdb, 0xff, 0xff, 0xe7, 0xc3], [0x00, 0x00, 0xc7, 0xc7, 0xcf, 0xcf, 0xdf, 0xdb, 0xfb, 0xf3, 0xf3, 0xe3, 0xe3], [0x00, 0x00, 0x7e, 0xe7, 0xc3, 0xc3, 0xc3, 0xc3, 0xc3, 0xc3, 0xc3, 0xe7, 0x7e], [0x00, 0x00, 0xc0, 0xc0, 0xc0, 0xc0, 0xc0, 0xfe, 0xc7, 0xc3, 0xc3, 0xc7, 0xfe], [0x00, 0x00, 0x3f, 0x6e, 0xdf, 0xdb, 0xc3, 0xc3, 0xc3, 0xc3, 0xc3, 0x66, 0x3c], [0x00, 0x00, 0xc3, 0xc6, 0xcc, 0xd8, 0xf0, 0xfe, 0xc7, 0xc3, 0xc3, 0xc7, 0xfe], [0x00, 0x00, 0x7e, 0xe7, 0x03, 0x03, 0x07, 0x7e, 0xe0, 0xc0, 0xc0, 0xe7, 0x7e], [0x00, 0x00, 0x18, 0x18, 0x18, 0x18, 0x18, 0x18, 0x18, 0x18, 0x18, 0x18, 0xff], [0x00, 0x00, 0x7e, 0xe7, 0xc3, 0xc3, 0xc3, 0xc3, 0xc3, 0xc3, 0xc3, 0xc3, 0xc3], [0x00, 0x00, 0x18, 0x3c, 0x3c, 0x66, 0x66, 0xc3, 0xc3, 0xc3, 0xc3, 0xc3, 0xc3], [0x00, 0x00, 0xc3, 0xe7, 0xff, 0xff, 0xdb, 0xdb, 0xc3, 0xc3, 0xc3, 0xc3, 0xc3], [0x00, 0x00, 0xc3, 0x66, 0x66, 0x3c, 0x3c, 0x18, 0x3c, 0x3c, 0x66, 0x66, 0xc3], [0x00, 0x00, 0x18, 0x18, 0x18, 0x18, 0x18, 0x18, 0x3c, 0x3c, 0x66, 0x66, 0xc3], [0x00, 0x00, 0xff, 0xc0, 0xc0, 0x60, 0x30, 0x7e, 0x0c, 0x06, 0x03, 0x03, 0xff], [0x00, 0x00, 0x3c, 0x30, 0x30, 0x30, 0x30, 0x30, 0x30, 0x30, 0x30, 0x30, 0x3c], [0x00, 0x03, 0x03, 0x06, 0x06, 0x0c, 0x0c, 0x18, 0x18, 0x30, 0x30, 0x60, 0x60], [0x00, 0x00, 0x3c, 0x0c, 0x0c, 0x0c, 0x0c, 0x0c, 0x0c, 0x0c, 0x0c, 0x0c, 0x3c], [0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xc3, 0x66, 0x3c, 0x18], [0xff, 0xff, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00], [0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x18, 0x38, 0x30, 0x70], [0x00, 0x00, 0x7f, 0xc3, 0xc3, 0x7f, 0x03, 0xc3, 0x7e, 0x00, 0x00, 0x00, 0x00], [0x00, 0x00, 0xfe, 0xc3, 0xc3, 0xc3, 0xc3, 0xfe, 0xc0, 0xc0, 0xc0, 0xc0, 0xc0], [0x00, 0x00, 0x7e, 0xc3, 0xc0, 0xc0, 0xc0, 0xc3, 0x7e, 0x00, 0x00, 0x00, 0x00], [0x00, 0x00, 0x7f, 0xc3, 0xc3, 0xc3, 0xc3, 0x7f, 0x03, 0x03, 0x03, 0x03, 0x03], [0x00, 0x00, 0x7f, 0xc0, 0xc0, 0xfe, 0xc3, 0xc3, 0x7e, 0x00, 0x00, 0x00, 0x00], [0x00, 0x00, 0x30, 0x30, 0x30, 0x30, 0x30, 0xfc, 0x30, 0x30, 0x30, 0x33, 0x1e], [0x7e, 0xc3, 0x03, 0x03, 0x7f, 0xc3, 0xc3, 0xc3, 0x7e, 0x00, 0x00, 0x00, 0x00], [0x00, 0x00, 0xc3, 0xc3, 0xc3, 0xc3, 0xc3, 0xc3, 0xfe, 0xc0, 0xc0, 0xc0, 0xc0], [0x00, 0x00, 0x18, 0x18, 0x18, 0x18, 0x18, 0x18, 0x18, 0x00, 0x00, 0x18, 0x00], [0x38, 0x6c, 0x0c, 0x0c, 0x0c, 0x0c, 0x0c, 0x0c, 0x0c, 0x00, 0x00, 0x0c, 0x00], [0x00, 0x00, 0xc6, 0xcc, 0xf8, 0xf0, 0xd8, 0xcc, 0xc6, 0xc0, 0xc0, 0xc0, 0xc0], [0x00, 0x00, 0x7e, 0x18, 0x18, 0x18, 0x18, 0x18, 0x18, 0x18, 0x18, 0x18, 0x78], [0x00, 0x00, 0xdb, 0xdb, 0xdb, 0xdb, 0xdb, 0xdb, 0xfe, 0x00, 0x00, 0x00, 0x00], [0x00, 0x00, 0xc6, 0xc6, 0xc6, 0xc6, 0xc6, 0xc6, 0xfc, 0x00, 0x00, 0x00, 0x00], [0x00, 0x00, 0x7c, 0xc6, 0xc6, 0xc6, 0xc6, 0xc6, 0x7c, 0x00, 0x00, 0x00, 0x00], [0xc0, 0xc0, 0xc0, 0xfe, 0xc3, 0xc3, 0xc3, 0xc3, 0xfe, 0x00, 0x00, 0x00, 0x00], [0x03, 0x03, 0x03, 0x7f, 0xc3, 0xc3, 0xc3, 0xc3, 0x7f, 0x00, 0x00, 0x00, 0x00], [0x00, 0x00, 0xc0, 0xc0, 0xc0, 0xc0, 0xc0, 0xe0, 0xfe, 0x00, 0x00, 0x00, 0x00], [0x00, 0x00, 0xfe, 0x03, 0x03, 0x7e, 0xc0, 0xc0, 0x7f, 0x00, 0x00, 0x00, 0x00], [0x00, 0x00, 0x1c, 0x36, 0x30, 0x30, 0x30, 0x30, 0xfc, 0x30, 0x30, 0x30, 0x00], [0x00, 0x00, 0x7e, 0xc6, 0xc6, 0xc6, 0xc6, 0xc6, 0xc6, 0x00, 0x00, 0x00, 0x00], [0x00, 0x00, 0x18, 0x3c, 0x3c, 0x66, 0x66, 0xc3, 0xc3, 0x00, 0x00, 0x00, 0x00], [0x00, 0x00, 0xc3, 0xe7, 0xff, 0xdb, 0xc3, 0xc3, 0xc3, 0x00, 0x00, 0x00, 0x00], [0x00, 0x00, 0xc3, 0x66, 0x3c, 0x18, 0x3c, 0x66, 0xc3, 0x00, 0x00, 0x00, 0x00], [0xc0, 0x60, 0x60, 0x30, 0x18, 0x3c, 0x66, 0x66, 0xc3, 0x00, 0x00, 0x00, 0x00], [0x00, 0x00, 0xff, 0x60, 0x30, 0x18, 0x0c, 0x06, 0xff, 0x00, 0x00, 0x00, 0x00], [0x00, 0x00, 0x0f, 0x18, 0x18, 0x18, 0x38, 0xf0, 0x38, 0x18, 0x18, 0x18, 0x0f], [0x18, 0x18, 0x18, 0x18, 0x18, 0x18, 0x18, 0x18, 0x18, 0x18, 0x18, 0x18, 0x18], [0x00, 0x00, 0xf0, 0x18, 0x18, 0x18, 0x1c, 0x0f, 0x1c, 0x18, 0x18, 0x18, 0xf0], [0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x06, 0x8f, 0xf1, 0x60, 0x00, 0x00, 0x00]]).astype(numpy.uint8) class Object3DRedBookFont: def __init__(self): self.rasters = rasters self.__initialized = 0 def initialize(self): self.makeRasterFont() def makeRasterFont(self): GL.glPixelStorei(GL.GL_UNPACK_ALIGNMENT, 1) self.fontOffset = GL.glGenLists(128) for i in range(32, 127): GL.glNewList(i + self.fontOffset, GL.GL_COMPILE) GL.glBitmap(8, 13, 0.0, 2.0, 10.0, 0.0, self.rasters[i-32]) GL.glEndList() def printString(self, text): GL.glPushAttrib(GL.GL_LIST_BIT) GL.glListBase(self.fontOffset) GL.glCallLists(text) GL.glPopAttrib() class TestWidget(qt.QGLWidget): def initializeGL(self): qt.QGLWidget.initializeGL(self) self.redBookFont = Object3DRedBookFont() self.redBookFont.initialize() def resizeGL(self, width, height): side = min(width, height) GL.glViewport((width - side) / 2, (height - side) / 2, side, side) GL.glMatrixMode(GL.GL_PROJECTION) GL.glLoadIdentity() GL.glOrtho(0.0, width, 0.0, height, -1.0, 1.0) GL.glMatrixMode(GL.GL_MODELVIEW) GL.glLoadIdentity() def paintGL(self): GL.glClear(GL.GL_COLOR_BUFFER_BIT) GL.glColor4f(1.0, 1.0, 1.0, 1.0) for i in range(32, 127, 32): teststring = "" GL.glRasterPos2i(20, 200 -18 * i/32) for j in range(32): teststring += "%c" % (i+j) self.redBookFont.printString(teststring) GL.glRasterPos2f(20, 100) self.redBookFont.printString("The quick brown fox jumps") GL.glRasterPos2i(20, 82) self.redBookFont.printString("over a lazy dog") def test(): app = qt.QApplication([]) w = TestWidget() w.show() app.exec_() if __name__ == "__main__": test() PyMca5-5.2.2/PyMca5/Object3D/__init__.py0000644000276300001750000000252313136054446017537 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2015 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # This file is free software; you can redistribute it and/or modify it # under the terms of the GNU Lesser General Public License as published by the # Free Software Foundation; either version 2 of the License, or (at your option) # any later version. # # This file is distributed in the hope that it will be useful, but WITHOUT ANY # WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS # FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more # details. # # You should have received a copy of the GNU Lesser General Public # License along with this library; if not, write to the Free Software # Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA # # Please contact the ESRF industrial unit (industry@esrf.fr) if this license # is a problem for you. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "LGPL" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" __version__ = '1.0' PyMca5-5.2.2/PyMca5/Object3D/Object3DDirs.py0000644000276300001750000000640413136054446020221 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # This file is free software; you can redistribute it and/or modify it # under the terms of the GNU Lesser General Public License as published by the # Free Software Foundation; either version 2 of the License, or (at your option) # any later version. # # This file is distributed in the hope that it will be useful, but WITHOUT ANY # WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS # FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more # details. # # You should have received a copy of the GNU Lesser General Public # License along with this library; if not, write to the Free Software # Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA # # Please contact the ESRF industrial unit (industry@esrf.fr) if this license # is a problem for you. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "LGPL2+" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os DEBUG = 0 inputDir = None outputDir = None nativeFileDialogs = True class __ModuleWrapper(object): def __init__(self, wrapped): self.__dict__["_ModuleWrapper__wrapped"] = wrapped def __getattr__(self, name): if DEBUG: print("getting ", name) if name == "inputDir": if self.__wrapped.__dict__[name] is None: if self.__wrapped.__dict__['outputDir'] is not None: value = self.__wrapped.__dict__['outputDir'] else: value = os.getcwd() if not os.path.isdir(value): value = os.getcwd() self.__setattr__('inputDir', value) elif name == "outputDir": if self.__wrapped.__dict__[name] is None: if self.__wrapped.__dict__['inputDir'] is not None: value = self.__wrapped.__dict__['inputDir'] else: value = os.getcwd() if not os.path.isdir(value): value = os.getcwd() self.__setattr__('outputDir', value) if DEBUG: print("got ", name, getattr(self.__wrapped, name)) return getattr(self.__wrapped, name) def __setattr__(self, name, value): if DEBUG: print("setting ", name, value) if name == "inputDir": if os.path.isdir(value): self.__wrapped.__dict__[name]=value else: raise ValueError("Non existing directory %s" % value) elif name == "outputDir": if os.path.isdir(value): self.__wrapped.__dict__[name]=value else: raise ValueError("Non existing directory %s" % value) elif name == "nativeFileDialogs": self.__wrapped.__dict__[name]=value elif name.startswith("__"): self.__dict__[name]=value else: raise AttributeError("Invalid attribute %s" % name) #self.__wrapped.__dict__[name]=value sys.modules[__name__]=__ModuleWrapper(sys.modules[__name__]) PyMca5-5.2.2/PyMca5/Object3D/Scene.py0000644000276300001750000005505613136054446017046 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # This file is free software; you can redistribute it and/or modify it # under the terms of the GNU Lesser General Public License as published by the # Free Software Foundation; either version 2 of the License, or (at your option) # any later version. # # This file is distributed in the hope that it will be useful, but WITHOUT ANY # WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS # FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more # details. # # You should have received a copy of the GNU Lesser General Public # License along with this library; if not, write to the Free Software # Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA # # Please contact the ESRF industrial unit (industry@esrf.fr) if this license # is a problem for you. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "LGPL2+" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import numpy import OpenGL.GLU as GLU import weakref from . import ObjectTree from . import Object3DBase DEBUG = 0 class Scene(object): def __init__(self, name = 'Scene'): #self.tree = ObjectTree.ObjectTree('__Scene__', name) self.__sceneObject= Object3DBase.Object3D(name=name) self.__name = name self.__sceneObject.setSelected(True) ddict = {} ddict['common']={'anchor':[2, 2, 2]} #the zenith theta [z = r * cos(theta)] and azimuthal angles __currentViewMatrix = numpy.zeros((4,4), numpy.float32) for i in [0, 1, 2, 3]: __currentViewMatrix[i, i] = 1.0 ddict['private'] = {'face':'top', 'theta': 0.0, 'phi':0.0, 'view':__currentViewMatrix, 'zoom':1.0, 'widget':None} self.__sceneObject.setConfiguration(ddict) self.tree = ObjectTree.ObjectTree(self.__sceneObject, name) self.__limits = [-100., -100., -100., 100., 100.0, 100.0] self.__observerPosition = [0.0, 0.0, 0.0] self.__autoScale = True self.__sceneObject.setLimits(-100., -100., -100., 100., 100.0, 100.0) self.__transformationMatrix = __currentViewMatrix * 1 #axes handling self.__u = [1.0, 0.0, 0.0] self.__v = [0.0, 1.0, 0.0] self.__w = [0.0, 0.0, 1.0] self.__uvw = False def __getitem__(self, name): return self.tree.find(name) def getConfiguration(self): """ WARNING: This does not account for the order in the tree yet """ d={} for name in self.getObjectList(): if name in[self.__name, "Scene"]: d['Scene'] = self.__sceneObject.getConfiguration() else: d[name] = self.getObject3DProxy(name).getConfiguration() return d def setConfiguration(self, d): """ WARNING: This does not account for the order in the tree yet """ nameList = self.getObjectList() for name in d.keys(): if name in [self.__name, "Scene"]: del d[name]['private']['widget'] self.__sceneObject.setConfiguration(d[name]) #there is additional information added by this class self.__sceneObject._configuration['private']['phi']=\ d[name]['private']['phi'] self.__sceneObject._configuration['private']['theta']=\ d[name]['private']['theta'] self.__sceneObject._configuration['private']['view'] =\ d[name]['private']['view'] zoom = d[name]['private'].get('zoom', None) if zoom is not None: self.__sceneObject._configuration['private']['zoom'] =\ zoom elif name in nameList: del d[name]['private']['widget'] o3d =self.getObject3DProxy(name) o3d.setConfiguration(d[name]) elif DEBUG: print("name %s ignored" % name) self.updateTransformationMatrix() def name(self): return self.__sceneObject.name() def getObjectList(self): return self.tree.getList() def getObject3DProxy(self, name): #This is to avoid incrasing reference count ... return weakref.proxy(self[name].root[0]) def getIndex(self, name): return self.tree.getList().index(name) def addObject(self, ob, legend = None, parent="Scene"): """ Add an existing object to the scene. PARAMETERS: ob : the object to add Optional: legend : the name of the object in this scene parent : the name of the parent object """ if legend is None: if hasattr(ob, 'name'): legend = ob.name() else: legend = "Unnamed" parentTree = self.tree.find(parent) if parentTree is None: raise ValueError("Parent %s does not exist." % parent) if legend in self.getObjectList(): self.removeObject(legend) parentTree.addChild(ob, legend) def setThetaPhi(self, theta, phi): self.__sceneObject._configuration['private']['theta'] = theta self.__sceneObject._configuration['private']['phi'] = phi self.updateTransformationMatrix() def getThetaPhi(self): return self.__sceneObject._configuration['private']['theta'],\ self.__sceneObject._configuration['private']['phi'] def setZoomFactor(self, value): self.__sceneObject._configuration['private']['zoom'] = value def getZoomFactor(self): return self.__sceneObject._configuration['private']['zoom'] def applyCube(self, cubeFace=None): if cubeFace is not None: #this is for saving afterwards self.__sceneObject._configuration['private']['face'] = cubeFace else: cubeFace = self.__sceneObject._configuration['private']['face'] #let's do the job xmin, ymin, zmin, xmax, ymax, zmax = self.getLimits() centerX = 0.5 * (xmax + xmin) centerY = 0.5 * (ymax + ymin) centerZ = 0.5 * (zmax + zmin) sceneConfig = self.__sceneObject._configuration scale = sceneConfig['common']['scale'] anchor = [centerX*scale[0], centerY*scale[1], centerZ*scale[2]] if cubeFace == 'front': M = self.getRotationMatrix(0.0, 90., 180.0, anchor) M = numpy.dot(self.getRotationMatrix(90., 0.0, 0.0, anchor), M) elif cubeFace == 'back': M = self.getRotationMatrix(0.0, 90., 0.0, anchor) M = numpy.dot(self.getRotationMatrix(-90., 0.0, 0.0, anchor), M) elif cubeFace == 'top': M = self.getRotationMatrix(0.0, 0.0, 0.0, anchor) elif cubeFace == 'bottom': M = self.getRotationMatrix(0.0, 180.0, 0.0, anchor) elif cubeFace == 'right': M = self.getRotationMatrix(0.0, 90.0, 90.0, anchor) M = numpy.dot(self.getRotationMatrix(0., 90.0, 0.0, anchor), M) elif cubeFace == 'left': M = self.getRotationMatrix(-90.0, 0.0, 0.0, anchor) elif 0 and cubeFace == 'd45': M = self.getRotationMatrix(0.0, 45.0, 45.0, anchor) else: #nicest M = self.getRotationMatrix(0.0, 90., 180.0, anchor) if 0: #front + theta = 45 + phi = 20 M = numpy.dot(self.getRotationMatrix(90., 0.0, 0.0, anchor), M) M = numpy.dot(self.getRotationMatrix(0.0, 20.0, 45.0, anchor), M) else: #just the same M = numpy.dot(self.getRotationMatrix(90., 20.0, 45.0, anchor), M) #print "MATRIX = ", M return M def setCurrentViewMatrix(self, m): if m.shape in [(4,4), [4,4]]: self.__sceneObject._configuration['private']['view'] =\ m.astype(numpy.float32) else: raise ValueError("Trying to set an invalid transformation matrix") self.updateTransformationMatrix() def getCurrentViewMatrix(self): return self.__sceneObject._configuration['private']['view'] def updateTransformationMatrix(self): #this method is called to update the transformation matrix #in order not to have to calculate it each time the scene is drawn theta, phi = self.getThetaPhi() __currentViewMatrix = self.getCurrentViewMatrix() if (theta != 0.0) or (phi != 0.0): xmin, ymin, zmin, xmax, ymax, zmax = self.getLimits() centerX = 0.5 * (xmax + xmin) centerY = 0.5 * (ymax + ymin) centerZ = 0.5 * (zmax + zmin) #zenith angle theta in spherical coordinates z = r * cos(theta) #rotate theta around Y axis # theta #azimuthal angle phi in spherical coordinates #rotate phi around Z axis # phi = self.xRot sceneConfig = self.tree.root[0].getConfiguration() #I have to rotate around the center of the scene #taking into account the scale it will use scale = sceneConfig['common']['scale'] anchor = [centerX*scale[0], centerY*scale[1], centerZ*scale[2]] tmpM = self.getRotationMatrix(0.0,theta, phi, anchor=anchor) self.__transformationMatrix = numpy.dot(tmpM, __currentViewMatrix).astype(numpy.float32) else: self.__transformationMatrix[:,:] =\ __currentViewMatrix[:,:] def getTransformationMatrix(self): if not self.__uvw: return self.__transformationMatrix else: return numpy.dot(self.__uvwMatrix, self.__transformationMatrix).astype(numpy.float32) def gluLookAt(self, eyeX, eyeY, eyeZ, centerX, centerY, centerZ, upX, upY, upZ): F = numpy.array((centerX - eyeX, centerY - eyeY, centerZ - eyeZ), numpy.float) UP = numpy.array((upX, upY, upZ), numpy.float) M = numpy.zeros((4,4), numpy.float) M[0,0] = 1.0 M[1,1] = 1.0 M[2,2] = 1.0 M[3,3] = 1.0 fmod = numpy.sqrt(numpy.dot(F, F.T)) #numpy.linalg.norm(F) umod = numpy.sqrt(numpy.dot(UP, UP.T)) #numpy.linalg.norm(U) if (fmod <= 0.0) or (umod <= 0.0): return M F = F/fmod UP = UP/umod s = numpy.cross(F, UP) u = numpy.cross(s, F) M[0,0:3] = s M[1,0:3] = u M[2,0:3] = -F M = M.T #is this due to a PyOpenGL problem? #if this because OpenGL gluLookAt man pages # suggest order orientation and it is not the case??? # the translation -eyeX, -eyeY, -eyeZ if 0: # as pure matrix operation T = numpy.zeros((4,4), numpy.float) T[0,0] = 1.0 T[1,1] = 1.0 T[2,2] = 1.0 T[3,0] = -eyeX T[3,1] = -eyeY T[3,2] = -eyeZ T[3,3] = 1.0 M = numpy.dot(T, M) else: #just compute the last row M[3, 0] = -eyeX * M[0, 0] - eyeY * M[1, 0] - eyeZ * M[2, 0] M[3, 1] = -eyeX * M[0, 1] - eyeY * M[1, 1] - eyeZ * M[2, 1] M[3, 2] = -eyeX * M[0, 2] - eyeY * M[1, 2] - eyeZ * M[2, 2] return M def setSelectedObject(self, target): self.__sceneObject.setSelected(False) objectsList = self.getObjectList() for name in objectsList: item = self.tree.find(name) ob = item.root[0] if hasattr(ob, 'selected'): ob.setSelected(False) item = self.tree.find(target) if item is not None: ob = item.root[0] if hasattr(ob, 'selected'): ob.setSelected(True) if target == self.name(): self.__sceneObject.setSelected(True) def getSelectedObject(self): selectedObject = None if self.__sceneObject.selected(): selectedObject = self.name() else: objectsList = self.getObjectList() for name in objectsList: item = self.tree.find(name) ob = item.root[0] if ob.selected(): selectedObject = name break return selectedObject def removeObject(self, name): """ Delete an object. PARAMETERS : name : the name of the object to remove from scene """ #find the objectTree objectTree = self.tree.find(name) if objectTree is None: if DEBUG: raise ValueError("No object with name %s in tree." % name) return self.tree.delChild(name) def clearTree(self): #del self.tree[1:] for legend in self.getObjectList(): self.removeObject(legend) def setAutoScale(self, flag=True): if flag: self.__autoScale = True else: self.__autoScale = False def getAutoScale(self): return self.__autoScale def setAxesVectors(self, u, v, w, use=True): tmpMatrix = numpy.zeros((4,4), numpy.float64) tmpMatrix [0,0] = u[0] tmpMatrix [0,1] = u[1] tmpMatrix [0,2] = u[2] tmpMatrix [1,0] = v[0] tmpMatrix [1,1] = v[1] tmpMatrix [1,2] = v[2] tmpMatrix [2,0] = w[0] tmpMatrix [2,1] = w[1] tmpMatrix [2,2] = w[2] tmpMatrix [3,3] = 1.0 try: inverseMatrix = numpy.linalg.inv(tmpMatrix) except: raise self.__u = u self.__v = v self.__w = w self.__uvw = use self.__uvwMatrix = tmpMatrix def setObserverPosition(self, position): self.__observerPosition = position def getObserverPosition(self): return self.__observerPosition * 1 def setLimits(self, limits): self.__limits = limits xmin, ymin, zmin, xmax, ymax, zmax = limits self.__sceneObject.setLimits(xmin, ymin, zmin, xmax, ymax, zmax) #this does not seem to be necessary #conf={'common':{'limits':self.__sceneObject.getLimits()*1}} #self.__sceneObject.setConfiguration(conf) def setOrthoLimits(self, xmin, ymin, zmin, xmax, ymax, zmax): self.__orthoLimits = [xmin, ymin, zmin, xmax, ymax, zmax] def getMinMax(self, a, b): if a > b: t = b * 1 b = a * 1 a = t return a, b def _updateObjectLimits(self, xmin, ymin, zmin, xmax, ymax, zmax): if not self.__uvw: return xmin, ymin, zmin, xmax, ymax, zmax u = self.__u v = self.__v w = self.__w x0 = xmin * u[0] + ymin * v[0] + zmin * w[0] y0 = xmin * u[1] + ymin * v[1] + zmin * w[1] z0 = xmin * u[2] + ymin * v[2] + zmin * w[2] x1 = xmax * u[0] + ymax * v[0] + zmax * w[0] y1 = xmax * u[1] + ymax * v[1] + zmax * w[1] z1 = xmax * u[2] + ymax * v[2] + zmax * w[2] if x1 < x0: xmin = x1 xmax = x0 else: xmin = x0 xmax = x1 if y1 < y0: ymin = y1 ymax = y0 else: ymin = y0 ymax = y1 if z1 < z0: zmin = z1 zmax = z0 else: zmin = z0 zmax = z1 return xmin, ymin, zmin, xmax, ymax, zmax def getLimits(self): if not self.__autoScale: return self.__limits objectList = self.getObjectList() n = len(objectList) if n < 2: return self.__limits ob = self.tree.find(objectList[1]).root[0] if hasattr(ob, 'getLimits'): limits = ob.getLimits() xmin0, ymin0, zmin0 = limits[0] xmax0, ymax0, zmax0 = limits[1] xmin0, ymin0, zmin0, xmax0, ymax0, zmax0 = self._updateObjectLimits(\ xmin0, ymin0, zmin0, xmax0, ymax0, zmax0) xScale, yScale,zScale = ob.getConfiguration()['common']['scale'] xmin0 *= xScale ymin0 *= yScale zmin0 *= zScale xmax0 *= xScale ymax0 *= yScale zmax0 *= zScale else: limits = [[self.__limits[0], self.__limits[1], self.__limits[2]], [self.__limits[3], self.__limits[4], self.__limits[5]]] xmin0, ymin0, zmin0 = limits[0] xmax0, ymax0, zmax0 = limits[1] #take care of wrong information due to scaling or not xmin0, xmax0 = self.getMinMax(xmin0, xmax0) ymin0, ymax0 = self.getMinMax(ymin0, ymax0) zmin0, zmax0 = self.getMinMax(zmin0, zmax0) if n > 2: for name in objectList[1:]: ob = self.tree.find(name).root[0] if hasattr(ob, 'getLimits'): limits = ob.getLimits() xmin, ymin, zmin = limits[0] xmax, ymax, zmax = limits[1] xmin, ymin, zmin, xmax, ymax, zmax = self._updateObjectLimits(\ xmin, ymin, zmin, xmax, ymax, zmax) #correct for scale xScale, yScale,zScale = ob.getConfiguration()['common']['scale'] xmin *= xScale ymin *= yScale zmin *= zScale xmax *= xScale ymax *= yScale zmax *= zScale xmin, xmax = self.getMinMax(xmin, xmax) ymin, ymax = self.getMinMax(ymin, ymax) zmin, zmax = self.getMinMax(zmin, zmax) if xmin < xmin0: xmin0 = xmin if ymin < ymin0: ymin0 = ymin if zmin < zmin0: zmin0 = zmin if xmax > xmax0: xmax0 = xmax if ymax > ymax0: ymax0 = ymax if zmax > zmax0: zmax0 = zmax if zmax0 == zmin0: zmax0 = zmin0 + 1 zmin0 -= 1 if xmin0 == xmax0: d = 0.5 * (ymax0 - ymin0) xmin0 -= d xmax0 += d if ymin0 == ymax0: d = 0.5 * (xmax0 - xmin0) ymin0 -= d ymax0 += d self.setLimits([xmin0, ymin0, zmin0, xmax0, ymax0, zmax0]) return self.__limits * 1 def drawTree(self, tree): """ Draw a tree. NOTES : 'glPopName' happened BEFORE the recursive call : we want to catch an object, not its parent 'glPopMatrix' happend AFTER this call, because the drawing matrix is depending on its parent """ for subTree in tree.childList(): name = subTree.name() opengl.glPushMatrix() opengl.glPushName(self.scene.getIndex(name)) self.scene[name].draw(self.selectedObject == name) opengl.glPopName() self.drawTree(subTree) opengl.glPopMatrix() def getRotationMatrix(self, xRot, yRot, zRot, anchor=None): """ Angles given in degrees!!!! """ M = numpy.zeros((4,4), numpy.float64) M[0, 0] = 1 M[1, 1] = 1 M[2, 2] = 1 M[3, 3] = 1 if (xRot == 0) and (yRot == 0) and (zRot == 0): return M if anchor is None: anchorPosition = [0.0, 0.0, 0.0] else: anchorPosition = anchor trans = M * 1 rotX = M * 1 rotY = M * 1 rotZ = M * 1 #translation M[3, 0] = anchorPosition[0] M[3, 1] = anchorPosition[1] M[3, 2] = anchorPosition[2] #this works #RotX angle = xRot * numpy.pi/180. cs = numpy.cos(angle) sn = numpy.sin(angle) rotX = numpy.zeros((4,4), numpy.float64) rotX[0,0] = 1 rotX[1,1] = 1 rotX[2,2] = 1 rotX[3,3] = 1 rotX[1,1] = cs; rotX[1,2] = sn rotX[2,1] = -sn; rotX[2,2] = cs #RotY angle = yRot * numpy.pi/180. cs = numpy.cos(angle) sn = numpy.sin(angle) rotY = numpy.zeros((4,4), numpy.float64) rotY[0,0] = 1 rotY[1,1] = 1 rotY[2,2] = 1 rotY[3,3] = 1 rotY[0,0] = cs; rotY[0,2] = -sn #inverted respect to the others rotY[2,0] = sn; rotY[2,2] = cs #RotZ angle = zRot * numpy.pi/180. cs = numpy.cos(angle) sn = numpy.sin(angle) rotZ = numpy.zeros((4,4), numpy.float64) rotZ[0,0] = 1 rotZ[1,1] = 1 rotZ[2,2] = 1 rotZ[3,3] = 1 rotZ[0,0] = cs; rotZ[0,1] = sn rotZ[1,0] = -sn; rotZ[1,1] = cs #The final rotation matrix rotMatrix = numpy.dot(rotZ,numpy.dot(rotY, rotX)) #perform the in-place rotation #GL.glMultMatrixd(rotMatrix) #find out where the anchor goes under that rotation trans = numpy.zeros((4,4), numpy.double) trans[0,0] = 1.0 trans[1,1] = 1.0 trans[2,2] = 1.0 trans[3,3] = 1.0 trans[3,0] = anchorPosition[0] trans[3,1] = anchorPosition[1] trans[3,2] = anchorPosition[2] distance = numpy.dot(rotMatrix, trans) # and subtract it trans[3,0] = -distance[3,0] trans[3,1] = -distance[3,1] trans[3,2] = -distance[3,2] M = numpy.dot(trans, numpy.dot(rotMatrix,M)) return M if __name__ == "__main__": import Object3DBase try: from PyMca5 import Object3DQt as qt except: from . import Object3DQt as qt app = qt.QApplication([]) w = Scene() o0 = Object3DBase.Object3D("DummyObject0") o1 = Object3DBase.Object3D("DummyObject1") o01 = Object3DBase.Object3D("DummyObject01") w.addObject(o0) w.addObject(o1) w.addObject(o01) print(w.tree) w.addObject(o0, parent="DummyObject01") print(w.tree) PyMca5-5.2.2/PyMca5/Object3D/Object3DColormap.py0000644000276300001750000003067213136054446021100 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # This file is free software; you can redistribute it and/or modify it # under the terms of the GNU Lesser General Public License as published by the # Free Software Foundation; either version 2 of the License, or (at your option) # any later version. # # This file is distributed in the hope that it will be useful, but WITHOUT ANY # WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS # FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more # details. # # You should have received a copy of the GNU Lesser General Public # License along with this library; if not, write to the Free Software # Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA # # Please contact the ESRF industrial unit (industry@esrf.fr) if this license # is a problem for you. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "LGPL2+" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys from . import Object3DQt as qt from . import Object3DSlider DEBUG = 0 class Object3DColormap(qt.QGroupBox): sigObject3DColormapSignal = qt.pyqtSignal(object) def __init__(self, parent = None): qt.QGroupBox.__init__(self, parent) self.setTitle('Colormap') self.colormapList = ["Greyscale", "Reverse Grey", "Temperature", "Red", "Green", "Blue", "Many"] # default values self.dataMin = -10 self.dataMax = 10 self.minValue = 0 self.maxValue = 1 self.colormapIndex = 2 self.colormapType = 0 self.autoscale = False self.autoscale90 = False self.__disconnected = False self.build() self._update() def build(self): self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) # the ComboBox self.comboBox = qt.QComboBox(self) for colormap in self.colormapList: self.comboBox.addItem(colormap) self.mainLayout.addWidget(self.comboBox, 0, 0) self.comboBox.activated[int].connect(self.colormapChanged) # autoscale self.autoScaleButton = qt.QPushButton("Autoscale", self) self.autoScaleButton.setCheckable(True) self.autoScaleButton.setAutoDefault(False) self.autoScaleButton.toggled[bool].connect(self.autoscaleChanged) self.mainLayout.addWidget(self.autoScaleButton, 0, 1) # autoscale 90% self.autoScale90Button = qt.QPushButton("Autoscale 90%", self) self.autoScale90Button.setCheckable(True) self.autoScale90Button.setAutoDefault(False) self.autoScale90Button.toggled[bool].connect(self.autoscale90Changed) self.mainLayout.addWidget(self.autoScale90Button, 0, 2) #the checkboxes self.buttonGroup = qt.QButtonGroup() g1 = qt.QCheckBox(self) g1.setText("Linear") g2 = qt.QCheckBox(self) g2.setText("Logarithmic") g3 = qt.QCheckBox(self) g3.setText("Gamma") self.buttonGroup.addButton(g1, 0) self.buttonGroup.addButton(g2, 1) self.buttonGroup.addButton(g3, 2) self.buttonGroup.setExclusive(True) if self.colormapType == 1: self.buttonGroup.button(1).setChecked(True) elif self.colormapType == 2: self.buttonGroup.button(2).setChecked(True) else: self.buttonGroup.button(0).setChecked(True) self.mainLayout.addWidget(g1, 1, 0) self.mainLayout.addWidget(g2, 1, 1) self.mainLayout.addWidget(g3, 1, 2) self.buttonGroup.buttonClicked[int].connect(self.buttonGroupChanged) # The max line label = qt.QLabel(self) label.setText('Maximum') self.maxText = qt.QLineEdit(self) self.maxText.setText("%f" % self.maxValue) self.maxText.setAlignment(qt.Qt.AlignRight) self.maxText.setFixedWidth(self.maxText.fontMetrics().width('######.#####')) v = qt.QDoubleValidator(self.maxText) self.maxText.setValidator(v) self.mainLayout.addWidget(label, 0, 3) self.mainLayout.addWidget(self.maxText, 0, 4) self.maxText.editingFinished.connect(self.textChanged) # The min line label = qt.QLabel(self) label.setText('Minimum') self.minText = qt.QLineEdit(self) self.minText.setFixedWidth(self.minText.fontMetrics().width('######.#####')) self.minText.setAlignment(qt.Qt.AlignRight) self.minText.setText("%f" % self.minValue) v = qt.QDoubleValidator(self.minText) self.minText.setValidator(v) self.mainLayout.addWidget(label, 1, 3) self.mainLayout.addWidget(self.minText, 1, 4) self.minText.editingFinished.connect(self.textChanged) # The sliders self.dataMin = -10 self.dataMax = 10 self.minValue = 0 self.maxValue = 1 self.sliderList = [] delta = (self.dataMax-self.dataMin) / 200. for i in [0, 1]: slider = Object3DSlider.Object3DSlider(self, qt.Qt.Horizontal) slider.setRange(self.dataMin, self.dataMax, delta) if i == 0: slider.setValue(self.maxValue) else: slider.setValue(self.minValue) self.mainLayout.addWidget(slider, i, 5) slider.valueChanged.connect(self.sliderChanged) self.sliderList.append(slider) def colormapChanged(self, value): self.colormapIndex = value self._emitSignal() def autoscaleChanged(self, value): self.autoscale = value self.__disconnected = True self.setAutoscale(value) self.__disconnected = False self._emitSignal() def autoscale90Changed(self, value): self.autoscale90 = value self.__disconnected = True self.setAutoscale90(value) self.__disconnected = False self._emitSignal() def buttonGroupChanged(self, value): self.colormapType = value self._emitSignal() def textChanged(self): valueMax = float(str(self.maxText.text())) valueMin = float(str(self.minText.text())) a = min(valueMax, valueMin) b = max(valueMax, valueMin) self.maxText.setText("%f" % b) self.minText.setText("%f" % a) oldMin = min(self.sliderList[0].value(), self.sliderList[1].value()) oldMax = max(self.sliderList[0].value(), self.sliderList[1].value()) emit = False self.__disconnected = True if (oldMax - valueMax) != 0.0: emit = True self.sliderList[0].setValue(valueMax) if (oldMin - valueMin) != 0.0: emit = True self.sliderList[1].setValue(valueMax) self.minValue = valueMin self.maxValue = valueMax self.__disconnected = False if emit: self._emitSignal() def sliderChanged(self, value): if self.__disconnected: return if DEBUG: print("sliderChanged") value0 = self.sliderList[0].value() value1 = self.sliderList[1].value() self.maxText.setText("%f" % max(value0, value1)) self.minText.setText("%f" % min(value0, value1)) self.minValue = min(value0, value1) self.maxValue = max(value0, value1) self._emitSignal() def _update(self): if DEBUG: print("colormap _update called") self.__disconnected = True delta = (self.dataMax - self.dataMin)/ 200. self.sliderList[0].setRange(self.dataMin, self.dataMax, delta) self.sliderList[0].setValue(self.maxValue) self.sliderList[1].setRange(self.dataMin, self.dataMax, delta) self.sliderList[1].setValue(self.minValue) self.maxText.setText("%g" % self.maxValue) self.minText.setText("%g" % self.minValue) self.comboBox.setCurrentIndex(self.colormapIndex) self.buttonGroup.button(self.colormapType).setChecked(True) self.setAutoscale(self.autoscale) self.setAutoscale90(self.autoscale90) self.__disconnected = False def _emitSignal(self, event = None): if self.__disconnected: return if event is None: event = 'ColormapChanged' if DEBUG: print("sending colormap") ddict = self.getParameters() ddict['event'] = event self.sigObject3DColormapSignal.emit(ddict) def setAutoscale(self, val): if DEBUG: print("setAutoscale called", val) if val: self.autoScaleButton.setChecked(True) self.autoScale90Button.setChecked(False) self.setMinValue(self.dataMin) self.setMaxValue(self.dataMax) for slider in self.sliderList: self.__disconnected = True delta = (self.dataMax - self.dataMin)/200. slider.setRange(self.dataMin, self.dataMax, delta) slider.setEnabled(False) self.__disconnected = False self.maxText.setEnabled(0) self.minText.setEnabled(0) else: self.autoScaleButton.setChecked(False) self.autoScale90Button.setChecked(False) self.minText.setEnabled(1) self.maxText.setEnabled(1) for slider in self.sliderList: slider.setEnabled(True) def setAutoscale90(self, val): if val: self.autoScaleButton.setChecked(False) self.setMinValue(self.dataMin) self.setMaxValue(self.dataMax - abs(self.dataMax/10.)) for slider in self.sliderList: self.__disconnected = True delta = (self.dataMax - self.dataMin)/200. slider.setRange(self.dataMin, self.dataMax, delta) slider.setEnabled(False) self.__disconnected = False self.minText.setEnabled(0) self.maxText.setEnabled(0) else: self.autoScale90Button.setChecked(False) if not self.autoscale: self.minText.setEnabled(1) self.maxText.setEnabled(1) for slider in self.sliderList: self.__disconnected = True delta = (self.dataMax - self.dataMin)/200. slider.setRange(self.dataMin, self.dataMax, delta) slider.setEnabled(True) self.__disconnected = False # MINIMUM """ change min value and update colormap """ def setMinValue(self, val): v = float(str(val)) self.minValue = v self.minText.setText("%g"%v) self.__disconnected = True self.sliderList[1].setValue(v) self.__disconnected = False # MAXIMUM """ change max value and update colormap """ def setMaxValue(self, val): v = float(str(val)) self.maxValue = v self.maxText.setText("%g"%v) self.__disconnected = True self.sliderList[0].setValue(v) self.__disconnected = False def getParameters(self): ddict = {} if self.minValue > self.maxValue: vMax = self.minValue else: vMax = self.maxValue ddict['colormap'] = [self.colormapIndex, self.autoscale, self.minValue, vMax, self.dataMin, self.dataMax, self.colormapType] return ddict def setParameters(self, ddict): if 'colormap' in ddict: self.__disconnected = True self.colormapIndex, self.autoscale, \ self.minValue, self.maxValue, \ self.dataMin, self.dataMax, \ self.colormapType = ddict['colormap'] self._update() self.__disconnected = False def test(): app = qt.QApplication(sys.argv) app.lastWindowClosed.connect(app.quit) def slot(ddict): print("ddict= ", ddict) demo = Object3DColormap() demo.sigObject3DColormapSignal.connect(slot) demo.show() app.exec_() if __name__ == "__main__": test() PyMca5-5.2.2/PyMca5/Object3D/doc/0000755000276300001750000000000013205526235016166 5ustar solebliss00000000000000PyMca5-5.2.2/PyMca5/Object3D/doc/DemoPlugin.py0000644000276300001750000000432013136054446020605 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # This file is free software; you can redistribute it and/or modify it # under the terms of the GNU Lesser General Public License as published by the # Free Software Foundation; either version 2 of the License, or (at your option) # any later version. # # This file is distributed in the hope that it will be useful, but WITHOUT ANY # WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS # FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more # details. # # You should have received a copy of the GNU Lesser General Public # License along with this library; if not, write to the Free Software # Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA # # Please contact the ESRF industrial unit (industry@esrf.fr) if this license # is a problem for you. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "LGPL2+" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" from Object3D import Object3DBase from OpenGL.GL import * class Object3DDemo(Object3DBase.Object3D): def __init__(self, name="Demo"): Object3DBase.Object3D.__init__(self, name) # I have to give the limits I am going to use in order # to calculate a proper bounding box self.setLimits(-1.0, 0.0, 0.0, 1.0, 1.0, 0.0) def drawObject(self): # this is to handle transparency alpha = 1. - self._configuration['common']['transparency'] #some simple drawing glShadeModel(GL_SMOOTH) glBegin(GL_TRIANGLES) glColor4f( 1.0, 0.0, 0.0, alpha) glVertex3f(-1.0, 0.0, 0.0) glColor4f( 0.0, 1.0, 0.0, alpha) glVertex3f( 0.0, 1.0, 0.0) glColor4f( 0.0, 0.0, 1.0, alpha) glVertex3f( 1.0, 0.0, 0.0) glEnd() MENU_TEXT = 'Demo' def getObject3DInstance(config=None): return Object3DDemo() PyMca5-5.2.2/PyMca5/Object3D/GLWidgetCachePixmap.py0000644000276300001750000002166213136054446021556 0ustar solebliss00000000000000#/*########################################################################## # Copyright (C) 2004-2014 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # This file is free software; you can redistribute it and/or modify it # under the terms of the GNU Lesser General Public License as published by the # Free Software Foundation; either version 2 of the License, or (at your option) # any later version. # # This file is distributed in the hope that it will be useful, but WITHOUT ANY # WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS # FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more # details. # # You should have received a copy of the GNU Lesser General Public # License along with this library; if not, write to the Free Software # Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA # # Please contact the ESRF industrial unit (industry@esrf.fr) if this license # is a problem for you. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "LGPL2+" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" try: import OpenGL.GL as GL except ImportError: raise ImportError("OpenGL must be installed to use these functionalities") from . import Object3DQt as qt import numpy DEBUG = 0 class GLWidgetCachePixmap(object): def __init__(self, name="Unnamed"): self.__name = name self.__pixmap = None self.__textureId = None self.drawList = 0 self.__alpha = 1.0 self._limits = numpy.zeros((2,3), numpy.float32) def getTextureId(self): return self.__textureId def openGLCleanup(self): if DEBUG: print("CLEANING OPENGL") if self.drawList <= 0: GL.glDeleteLists(self.drawList, 1) self.drawList = 0 if self.__textureId is not None: GL.glDeleteTextures([self.__textureId]) self.__textureId = None def setPixmap(self, pixmap, width, height, xmirror = False, ymirror = False, z=0.0): if not hasattr(pixmap, "dtype"): raise ValueError("Input pixmap has to be an uint8 array") useNewTexture = True if self.__pixmap is not None: if (width == self.__width) and (height == self.__height): useNewTexture = False #I force always for the time being useNewTexture = True #make sure we work with integers self.__width = int(width) self.__height = int(height) # some cards still need to pad to powers of 2 self.__tWidth = self.getPaddedValue(self.__width) self.__tHeight = self.getPaddedValue(self.__height) if (self.__tWidth != self.__width) or (self.__tHeight != self.__height): #I have to zero padd the texture to make sure it works on all cards ... self.__pixmap = numpy.zeros((self.__tWidth*self.__tHeight, 4), numpy.uint8) pixmap.shape = [width*height, 4] tjump = self.__tWidth pjump = self.__width for i in range(height): self.__pixmap[i*tjump:(i*tjump+pjump), :] = pixmap[(i*pjump):(i+1)*pjump,:] else: self.__pixmap = pixmap self.__pixmap.shape = [width*height, 4] self.__pixmap[:,3] = 255 #alpha self.__xMirror = xmirror self.__yMirror = ymirror self._forceListCalculation = True self._forceTextureCalculation = True self._useNewTexture = useNewTexture self.setLimits(0.0, 0.0, z, self.__width, self.__height, z) def getLimits(self): """ This method returns the limits of the object Typically will be its bounding box. The form is a 2 row numpy array: [[xmin, ymin, zmin], [xmax, ymax, zmax]] """ return self._limits def setLimits(self, xmin, ymin, zmin, xmax, ymax, zmax): self._limits[0,:] = xmin, ymin, zmin self._limits[1,:] = xmax, ymax, zmax self._forceListCalculation = True def drawObject(self): if self.__pixmap is None: return #if self.__xMirror or self.__yMirror: # self.__mirrorRotator(self.__xMirror, self.__yMirror) if self._forceTextureCalculation: self.buildTexture() GL.glPushAttrib(GL.GL_ALL_ATTRIB_BITS) GL.glDisable(GL.GL_DEPTH_TEST) GL.glEnable(GL.GL_BLEND) GL.glBlendFunc(GL.GL_SRC_ALPHA, GL.GL_ONE_MINUS_SRC_ALPHA) if self._forceListCalculation: self.buildQuad() if self.drawList: GL.glCallList(self.drawList) #else: # self.buildQuad() GL.glPopAttrib() def buildTexture(self): """ Normal procedure: Generate a texture name with glGenTextures. Select the new texture with glBindTexture. Fill the texture with an image using glTexImage2D. Set the texture's minification and magnification filters using glTexParameteri. Enable 2D textures with glEnable. When producing geometry, bind the texture before starting the polygon and then set a texture coordinate with glTexCoord before each glVertex. gl.glTexSubImage2D(texture.getTarget(), 0, // no support for mipmapping x, y + row, // in texture bounds.width, 1, GL.GL_BGRA, type, dataBuffer ); """ if self._useNewTexture: if self.__textureId is not None: GL.glDeleteTextures([self.__textureId]) self.__textureId = GL.glGenTextures(1) else: if self.__textureId is None: self.__textureId = GL.glGenTextures(1) else: GL.glDeleteTextures([self.__textureId]) self.__textureId = GL.glGenTextures(1) if self.__textureId is None: print("no valid texture id?") return if self._useNewTexture: GL.glBindTexture(GL.GL_TEXTURE_2D, self.__textureId) GL.glTexParameteri( GL.GL_TEXTURE_2D, GL.GL_TEXTURE_WRAP_T, GL.GL_REPEAT ) GL.glTexParameteri( GL.GL_TEXTURE_2D, GL.GL_TEXTURE_WRAP_S, GL.GL_REPEAT ) linear = 0 if linear: GL.glTexParameteri( GL.GL_TEXTURE_2D, GL.GL_TEXTURE_MAG_FILTER, GL.GL_LINEAR ) GL.glTexParameteri( GL.GL_TEXTURE_2D, GL.GL_TEXTURE_MIN_FILTER, GL.GL_LINEAR ) else: #Nearest on magnification GL.glTexParameteri( GL.GL_TEXTURE_2D, GL.GL_TEXTURE_MAG_FILTER, GL.GL_NEAREST ) #Linear when minimizing GL.glTexParameteri( GL.GL_TEXTURE_2D, GL.GL_TEXTURE_MIN_FILTER, GL.GL_LINEAR ) GL.glTexImage2D(GL.GL_TEXTURE_2D, 0, GL.GL_RGBA, self.__tWidth, self.__tHeight, 0, GL.GL_RGBA, GL.GL_UNSIGNED_BYTE, self.__pixmap) GL.glEnable(GL.GL_TEXTURE_2D) else: GL.glBindTexture(GL.GL_TEXTURE_2D, self.__textureId) GL.glTexSubImage2D(GL.GL_TEXTURE_2D, 0, 0, 0, self.__tWidth, self.__tHeight, GL.GL_RGBA, GL.GL_UNSIGNED_BYTE, self.__pixmap) GL.glEnable(GL.GL_TEXTURE_2D) self._forceTextureCalculation = False def buildQuad(self): if self.drawList > 0: GL.glDeleteLists(self.drawList, 1) xmin, ymin, zmin = self._limits[0] xmax, ymax, zmax = self._limits[1] tx0 = 0.0 tx1 = (1.0 * self.__width)/self.__tWidth ty0 = 0.0 ty1 = (1.0 * self.__height)/self.__tHeight self.drawList = GL.glGenLists(1) GL.glNewList(self.drawList, GL.GL_COMPILE) #The texture gets multiplied by this color!! GL.glColor4f(1.0, 1.0, 1.0, self.__alpha) GL.glBindTexture(GL.GL_TEXTURE_2D, self.__textureId) GL.glEnable(GL.GL_TEXTURE_2D) GL.glBegin(GL.GL_QUADS) GL.glTexCoord2d(tx0, ty0) GL.glVertex3f(xmin, ymin, zmin) GL.glTexCoord2d(tx0, ty1) GL.glVertex3f(xmin, ymax, zmin) GL.glTexCoord2d(tx1, ty1) GL.glVertex3f(xmax, ymax, zmin) GL.glTexCoord2d(tx1, ty0) GL.glVertex3f(xmax, ymin, zmin) GL.glEnd() GL.glDisable(GL.GL_TEXTURE_2D) GL.glEndList() self._forceListCalculation = False def getPaddedValue(self, v): a = 2 while (a

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