Source code for PyMca5.PyMcaPhysics.xrf.XRFMC.XMSOParser

#/*##########################################################################
#
# The PyMca X-Ray Fluorescence Toolkit
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# Copyright (c) 2004-2014 European Synchrotron Radiation Facility
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__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

[docs]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
[docs]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])