public void TestScenario()
{
IAtomContainer cid138898 = CID138898();
IAtomContainer cid241107 = CID241107();
IMoleculeHashGenerator basic = new HashGeneratorMaker().Depth(12).Elemental().Perturbed().Molecular();
// basic equivalence method can't tell these apart
Assert.AreEqual(basic.Generate(cid138898), basic.Generate(cid241107));
IMoleculeHashGenerator cmplx = new HashGeneratorMaker().Depth(12).Elemental()
.PerturbWith(new AllEquivalentCyclicSet()).Molecular();
// complex equivalence method can tell these apart
Assert.AreNotEqual(cmplx.Generate(cid138898), cmplx.Generate(cid241107));
}
public void TestScenario()
{
IAtomContainer cid4433798 = CID44333798();
IAtomContainer cid57170558 = CID57170558();
IMoleculeHashGenerator basic = new HashGeneratorMaker().Depth(12).Elemental().Perturbed().Molecular();
// basic equivalence method can't tell these apart
Assert.AreEqual(basic.Generate(cid4433798), basic.Generate(cid57170558));
IMoleculeHashGenerator cmplx = new HashGeneratorMaker().Depth(12).Elemental()
.PerturbWith(new MinimumEquivalentCyclicSetUnion()).Molecular();
// complex equivalence method can tell these apart
Assert.AreNotEqual(cmplx.Generate(cid4433798), cmplx.Generate(cid57170558));
}