public void TestGetStereoScore() { var sp = CDK.SmilesParser; var target = sp.ParseSmiles("C\\C=C/OCC=C"); var queryac = sp.ParseSmiles("CCCOCC(C)=C"); Isomorphism smsd1 = new Isomorphism(Algorithm.Default, false); smsd1.Init(queryac, target, true, true); smsd1.SetChemFilters(true, false, false); int score = 1048; Assert.AreEqual(score, smsd1.GetStereoScore(0)); }