public void TestGetAllMapping() { var sp = new SmilesParser(ChemObjectBuilder.Instance, false); var target = sp.ParseSmiles("C\\C=C/Nc1cccc(c1)N(O)\\C=C\\C\\C=C\\C=C/C"); var queryac = sp.ParseSmiles("Nc1ccccc1"); AtomContainerManipulator.PercieveAtomTypesAndConfigureAtoms(target); AtomContainerManipulator.PercieveAtomTypesAndConfigureAtoms(queryac); Aromaticity.CDKLegacy.Apply(target); Aromaticity.CDKLegacy.Apply(queryac); Isomorphism smsd1 = new Isomorphism(Algorithm.Default, true); smsd1.Init(queryac, target, true, true); smsd1.SetChemFilters(true, true, true); Assert.AreEqual(2, smsd1.GetAllMapping().Count); }