{ "info": { "author": "V. Armando Sol\u00e9", "author_email": "sole@esrf.fr", "bugtrack_url": null, "classifiers": [ "Development Status :: 5 - Production/Stable", "Environment :: Console", "Intended Audience :: Developers", "Intended Audience :: End Users/Desktop", "Intended Audience :: Science/Research", "License :: OSI Approved :: MIT License", "Operating System :: MacOS :: MacOS X", "Operating System :: Microsoft :: Windows", "Operating System :: POSIX", "Operating System :: Unix", "Programming Language :: C++", "Programming Language :: Cython", "Programming Language :: Python :: 2", "Programming Language :: Python :: 3", "Topic :: Scientific/Engineering :: Chemistry", "Topic :: Scientific/Engineering :: Physics", "Topic :: Software Development :: Libraries :: Python Modules" ], "description": "====\nfisx\n====\n\nMain development website: https://github.com/vasole/fisx\n\n.. image:: https://travis-ci.org/vasole/fisx.svg?branch=master\n :target: https://travis-ci.org/vasole/fisx\n\n.. image:: https://ci.appveyor.com/api/projects/status/github/vasole/fisx?branch=master&svg=true\n :target: https://ci.appveyor.com/project/vasole/fisx\n\nThis software library implements formulas to calculate, given an experimental setup, the expected x-ray fluorescence intensities. The library accounts for secondary and tertiary excitation, K, L and M shell emission lines and de-excitation cascade effects. The basic implementation is written in C++ and a Python binding is provided.\n\nAccount for secondary excitation is made via the reference:\n\nD.K.G. de Boer, X-Ray Spectrometry 19 (1990) 145-154\n\nwith the correction mentioned in:\n\nD.K.G. de Boer et al, X-Ray Spectrometry 22 (1993) 33-28\n\nTertiary excitation is accounted for via an appproximation.\n\nThe accuracy of the corrections has been tested against experimental data and Monte Carlo simulations.\n\nLicense\n-------\n\nThis code is relased under the MIT license as detailed in the LICENSE file.\n\nInstallation\n------------\n\nTo install the library for Python just use ``pip install fisx``. If you want build the library for python use from the code source repository, just use one of the ``pip install .`` or the ``python setup.py install`` approaches. It is convenient (but not mandatory) to have cython >= 0.17 installed for it.\n\nTesting\n-------\n\nTo run the tests **after installation** run::\n\n python -m fisx.tests.testAll\n\nExample\n-------\n\nThere is a `web application `_ using this library for calculating expected x-ray count rates.\n\nThis piece of Python code shows how the library can be used via its python binding.\n\n.. code-block:: python\n\n from fisx import Elements\n from fisx import Material\n from fisx import Detector\n from fisx import XRF\n\n elementsInstance = Elements()\n elementsInstance.initializeAsPyMca()\n # After the slow initialization (to be made once), the rest is fairly fast.\n xrf = XRF()\n xrf.setBeam(16.0) # set incident beam as a single photon energy of 16 keV\n xrf.setBeamFilters([[\"Al1\", 2.72, 0.11, 1.0]]) # Incident beam filters\n # Steel composition of Schoonjans et al, 2012 used to generate table I\n steel = {\"C\": 0.0445, \n \"N\": 0.04,\n \"Si\": 0.5093,\n \"P\": 0.02,\n \"S\": 0.0175,\n \"V\": 0.05,\n \"Cr\":18.37,\n \"Mn\": 1.619,\n \"Fe\":64.314, # calculated by subtracting the sum of all other elements\n \"Co\": 0.109,\n \"Ni\":12.35,\n \"Cu\": 0.175,\n \"As\": 0.010670,\n \"Mo\": 2.26,\n \"W\": 0.11,\n \"Pb\": 0.001}\n SRM_1155 = Material(\"SRM_1155\", 1.0, 1.0)\n SRM_1155.setComposition(steel)\n elementsInstance.addMaterial(SRM_1155)\n xrf.setSample([[\"SRM_1155\", 1.0, 1.0]]) # Sample, density and thickness\n xrf.setGeometry(45., 45.) # Incident and fluorescent beam angles\n detector = Detector(\"Si1\", 2.33, 0.035) # Detector Material, density, thickness\n detector.setActiveArea(0.50) # Area and distance in consistent units\n detector.setDistance(2.1) # expected cm2 and cm.\n xrf.setDetector(detector)\n Air = Material(\"Air\", 0.0012048, 1.0)\n Air.setCompositionFromLists([\"C1\", \"N1\", \"O1\", \"Ar1\", \"Kr1\"],\n [0.0012048, 0.75527, 0.23178, 0.012827, 3.2e-06])\n elementsInstance.addMaterial(Air)\n xrf.setAttenuators([[\"Air\", 0.0012048, 5.0, 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