public void TestAnyAtomAnyBondCase()
{
var sp = CDK.SmilesParser;
var target = sp.ParseSmiles("O1C=CC=C1");
var queryac = sp.ParseSmiles("C1CCCC1");
var query = QueryAtomContainerCreator.CreateAnyAtomAnyBondContainer(queryac, false);
Assert.IsTrue(CDKMCS.IsSubgraph(target, query, true), "C1CCCC1 should be a subgraph of O1C=CC=C1");
Assert.IsTrue(CDKMCS.IsIsomorph(target, query, true), "C1CCCC1 should be a isomorph of O1C=CC=C1");
}
public void TestIsIsomorph_IAtomContainer_IAtomContainer()
{
var ac1 = builder.NewAtomContainer();
ac1.Atoms.Add(builder.NewAtom("C"));
var ac2 = builder.NewAtomContainer();
ac2.Atoms.Add(builder.NewAtom("C"));
Assert.IsTrue(CDKMCS.IsIsomorph(ac1, ac2, true));
Assert.IsTrue(CDKMCS.IsSubgraph(ac1, ac2, true));
}