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56 lines
1.3 KiB
Python
56 lines
1.3 KiB
Python
# $Id$
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#
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# Copyright (C) 2004-2006 Greg Landrum and Rational Discovery LLC
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#
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# @@ All Rights Reserved @@
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#
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"""unit testing code for the AnalyzeComposite functionality
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"""
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import RDConfig
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import unittest,os
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from ML import AnalyzeComposite
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import cPickle as pickle
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def feq(a,b,tol=1e-4):
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if abs(a-b)>tol: return 0
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else: return 1
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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.baseDir = os.path.join(RDConfig.RDCodeDir,'ML','test_data')
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def test1_Issue163(self):
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name1 = os.path.join(self.baseDir,'humanoral.1.pkl')
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try:
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c1 = pickle.load(open(name1,'rb'))
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except:
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c1 = None
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self.failUnless(c1)
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name2 = os.path.join(self.baseDir,'humanoral.2.pkl')
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try:
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c2 = pickle.load(open(name2,'rb'))
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except:
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c2 = None
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self.failUnless(c2)
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try:
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res = AnalyzeComposite.ProcessIt([c1,c2],verbose=-1)
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except:
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import traceback
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traceback.print_exc()
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ok=0
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else:
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ok=1
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self.failUnless(ok)
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self.failUnless(res[0][0]=='BALABANJ')
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self.failUnless(res[1][0]=='BERTZCT')
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self.failUnless(res[-1][0]=='FR_ALLYLIC_OXID')
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for entry in res:
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self.failUnless(len(entry)==5)
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if __name__ == '__main__':
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unittest.main()
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