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49 lines
1.7 KiB
Python
Executable File
49 lines
1.7 KiB
Python
Executable File
#
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# Copyright (C) 2001 greg Landrum
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#
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""" unit testing code for compound descriptors
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"""
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import unittest
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import Parser
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class TestCase(unittest.TestCase):
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def setUp(self):
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print '\n%s: '%self.shortDescription(),
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self.piece1 = [['d1','d2'],['d1','d2']]
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self.aDict = {'Fe':{'d1':1,'d2':2},'Pt':{'d1':10,'d2':20}}
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self.pDict = {'d1':100.,'d2':200.}
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self.compos = [('Fe',1),('Pt',1)]
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self.cExprs = ["SUM($1)","SUM($1)+SUM($2)","MEAN($1)","DEV($2)","MAX($1)","MIN($2)","SUM($1)/$a"]
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self.results = [11.,33.,5.5,9.,10.,2.,0.11]
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self.tol = 0.0001
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def testSingleCalcs(self):
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" testing calculation of a single descriptor "
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for i in xrange(len(self.cExprs)):
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cExpr= self.cExprs[i]
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argVect = self.piece1 + [cExpr]
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res = Parser.CalcSingleCompoundDescriptor(self.compos,argVect,self.aDict,self.pDict)
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assert abs(res-self.results[i])<self.tol,'Expression %s failed'%(cExpr)
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def testMultipleCalcs(self):
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" testing calculation of multiple descriptors "
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for i in xrange(len(self.cExprs)):
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cExpr= self.cExprs[i]
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argVect = self.piece1 + [cExpr]
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res = Parser.CalcMultipleCompoundsDescriptor([self.compos,self.compos],argVect,
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self.aDict,[self.pDict,self.pDict])
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assert abs(res[0]-self.results[i])<self.tol,'Expression %s failed'%(cExpr)
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assert abs(res[1]-self.results[i])<self.tol,'Expression %s failed'%(cExpr)
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def TestSuite():
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suite = unittest.TestSuite()
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suite.addTest(TestCase('testSingleCalcs'))
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suite.addTest(TestCase('testMultipleCalcs'))
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return suite
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if __name__ == '__main__':
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suite = TestSuite()
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unittest.TextTestRunner().run(suite)
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