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