rdkit.Chem.UnitTestSmiles module — The RDKit 2016.09.1 documentation

# rdkit.Chem.UnitTestSmiles module

basic unit testing code for SMILES canonicalization

class `rdkit.Chem.UnitTestSmiles.` `TestCase`(methodName='runTest')

  Bases: `unittest.case.TestCase`

  `setUp`()
  `testFailures`()

    EXPECT FAILURES -> testing molecules which are known to fail

  `testHighSymmetry`()

    testing tricky (high-symmetry) molecules

  `testLinear1`()

    testing first batch of linear mols

  `testProblems`()

    testing molecules which have been problematic

  `testRings1`()

    testing first batch of rings

  `testRings2`()

    testing second batch of rings