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#/*##########################################################################
#
# The fisx library for X-Ray Fluorescence
#
# Copyright (c) 2014-2018 European Synchrotron Radiation Facility
#
# This file is part of the fisx X-ray developed by V.A. Sole
#
# 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"
import unittest
import sys
import os
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']
def getSymbol(z):
return ElementList[z-1]
def getZ(ele):
return ElementList.index(ele) + 1
class testElements(unittest.TestCase):
def setUp(self):
"""
import the module
"""
try:
from fisx import Elements
self.elements = Elements
except:
self.elements = None
def tearDown(self):
self.elements = None
def testElementsImport(self):
self.assertTrue(self.elements is not None,
'Unsuccessful fisx.Elements import')
def testElementsInstantiation(self):
try:
elementsInstance = self.elements()
except:
elementsInstance = None
print("Instantiation error: ",
sys.exc_info()[0], sys.exc_info()[1], sys.exc_info()[2])
self.assertTrue(elementsInstance is not None,
'Unsuccesful Elements() instantiation')
def testElementsDefaults(self):
elementsInstance = self.elements()
elementsInstance.initializeAsPyMca()
for item in ElementList:
density = elementsInstance.getDensity(item)
atomicNumber = elementsInstance.getAtomicNumber(item)
self.assertTrue(atomicNumber == (ElementList.index(item) + 1),
"Incorrect atomic number for %s" % item)
if atomicNumber < 85:
self.assertTrue(abs(density-1.0) > 0.001,
"Incorrect density for %s" % item)
longName = elementsInstance.getLongName(item)
self.assertTrue(item != longName,
"Element %s got default name" % item)
atomicMass = elementsInstance.getAtomicMass(item)
self.assertTrue(atomicMass > atomicNumber,
"Incorrect atomic mass for element %s" % item)
def testElementsResults(self):
elementsInstance = self.elements()
elementsInstance.initializeAsPyMca()
elementNames = elementsInstance.getElementNames()
if sys.version_info >= (3,):
for item in elementNames:
self.assertTrue(isinstance(item, str),
"getElementNames expected str received %s" % \
type(item))
for item in ElementList:
self.assertTrue(item in elementNames,
"Element %s not found in library" % item)
# Check the composition is returned as string and not bytes under
# Python 3
composition = elementsInstance.getComposition("NaI")
if sys.version_info >= (3,):
for key in composition:
self.assertTrue(isinstance(key, str),
"Expected string, received %s" % type(key))
# check the returned keys are correct
self.assertTrue(len(list(composition.keys())) == 2,
"Incorrect number of keys returned")
for key in ["Na", "I"]:
self.assertTrue(key in composition,
"key %s not found" % key)
for shell in ["K", "L", "M"]:
fileName = elementsInstance.getShellRadiativeTransitionsFile(shell)
self.assertTrue(isinstance(fileName, str),
"Expected string, received %s" % type(fileName))
for shell in ["K", "L", "M"]:
fileName = elementsInstance.getShellNonradiativeTransitionsFile(shell)
self.assertTrue(isinstance(fileName, str),
"Expected string, received %s" % type(fileName))
escapeDict = elementsInstance.getEscape(composition, 100.)
if sys.version_info >= (3,):
for key in escapeDict:
self.assertTrue(isinstance(key, str),
"getEscape expected string key, received %s" % type(key))
if isinstance(escapeDict[key], dict):
for key2 in escapeDict[key]:
self.assertTrue(isinstance(key2, str),
"Expected string subkey, received %s" % type(key2))
def getSuite(auto=True):
testSuite = unittest.TestSuite()
if auto:
testSuite.addTest(\
unittest.TestLoader().loadTestsFromTestCase(testElements))
else:
# use a predefined order
testSuite.addTest(testElements("testElementsImport"))
testSuite.addTest(testElements("testElementsInstantiation"))
testSuite.addTest(testElements("testElementsDefaults"))
testSuite.addTest(testElements("testElementsResults"))
return testSuite
def test(auto=False):
unittest.TextTestRunner(verbosity=2).run(getSuite(auto=auto))
if __name__ == '__main__':
test()
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