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