rdkit.Chem.EState.UnitTestTypes module¶

unit testing code for the EState atom typing

validation values are from the paper (JCICS _35_ 1039-1045 (1995))

class rdkit.Chem.EState.UnitTestTypes.TestCase(methodName='runTest')¶

Bases: unittest.case.TestCase

test1_simpleMolecules()¶

test2_complexMolecules()¶