rdkit.Chem.MolKey.UnitTestMolKey module

class rdkit.Chem.MolKey.UnitTestMolKey.TestInchiInfo(methodName='runTest')

Bases: unittest.case.TestCase

doTest(inchi, numSp3=0, numUndefSp3=0, numMobileHGroups=0, layer='non-isotopic')

testAcetate()

testAceticAcid()

testDeuteratedUrea()

testGuanine()

testMobile1()

testMobile2()

testSP3_unk()

testSugar1()

testSugar2()

testTritiatedUrea()

class rdkit.Chem.MolKey.UnitTestMolKey.TestMolKey(methodName='runTest')

Bases: unittest.case.TestCase

test_CheckCTAB()

test_ErrorBitsToText()

test_GetInchiForCTAB()

test_GetKeyForCTAB()

test_get_chiral_identification_string()

rdkit.Chem.MolKey.UnitTestMolKey.load_tests(loader, tests, ignore)

Add the Doctests from the module