rdkit.Chem.UnitTestMol3D module

unit testing code for 3D stuff

class rdkit.Chem.UnitTestMol3D.TestCase(methodName='runTest')

Bases: unittest.case.TestCase

assertBondStereoRoundTrips(fname)

testConformerRMS()

testConformerRMSMatrix()

testDetectBondStereoChemistry()

testTorsionFingerprints()

testTorsionFingerprintsAtomReordering()

testTorsionFingerprintsColinearBonds()