public void TestIsSubgraph() { var sp = CDK.SmilesParser; var target = sp.ParseSmiles("C\\C=C/Nc1cccc(c1)N(O)\\C=C\\C\\C=C\\C=C/C"); var queryac = sp.ParseSmiles("Nc1ccccc1"); Isomorphism smsd1 = new Isomorphism(Algorithm.SubStructure, false); smsd1.Init(queryac, target, true, true); smsd1.SetChemFilters(true, true, true); Assert.AreEqual(true, smsd1.IsSubgraph()); }