rdkit.Chem.MolKey.UnitTestMolKey module — The RDKit 2016.09.1 documentation

# 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