rdkit.Chem.AtomPairs.UnitTestDescriptors module¶
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class
rdkit.Chem.AtomPairs.UnitTestDescriptors.TestCase(methodName='runTest')¶ Bases:
unittest.case.TestCase-
setUp()¶
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testGetTopologicalTorsionFingerprintAsIds()¶
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testGithub334()¶
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testPairsRegression()¶
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testTorsionsRegression()¶
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rdkit.Chem.AtomPairs.UnitTestDescriptors.debugFingerprint(mol, fpCalc, fpExpected)¶
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rdkit.Chem.AtomPairs.UnitTestDescriptors.load_tests(loader, tests, ignore)¶ Add the Doctests from the module