Пример #1
0
        private static void Test(string smaexp, string smainp)
        {
            var qry = new QueryAtomContainer();

            Assert.IsTrue(Smarts.Parse(qry, smainp));
            var sup    = QueryAtomContainerCreator.SuppressQueryHydrogens(qry);
            var smaact = Smarts.Generate(sup);

            Assert.AreEqual(smaexp, smaact);
        }