rdkit.Chem.UnitTestLipinski module — The RDKit 2016.09.1 documentation

# rdkit.Chem.UnitTestLipinski module

unit testing code for Lipinski parameter calculation

This provides a workout for the SMARTS matcher

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

  Bases: `unittest.case.TestCase`

  `setUp`()
  `test1`()

    testing first 200 mols from NCI

  `testIssue2183420`()

    testing a problem with the acceptor definition

class `rdkit.Chem.UnitTestLipinski.` `TestCase_Regression`(methodName='runTest')

  Bases: `unittest.case.TestCase`

  `testLipinskiLong`()

    Lipinski parameter