예제 #1
0
        public void NapthaleneSubsearch()
        {
            int[] match = Ullmann.FindSubstructure(
                TestMoleculeFactory.MakeNaphthalene()).Match(
                TestMoleculeFactory.MakeBenzene());
            Assert.IsTrue(Compares.AreDeepEqual(Array.Empty <int>(), match));
            int count = Ullmann.FindSubstructure(
                TestMoleculeFactory.MakeNaphthalene()).MatchAll(
                TestMoleculeFactory.MakeBenzene()).ToReadOnlyList().Count;

            Assert.AreEqual(0, count);
        }
예제 #2
0
        public void BenzeneSubsearch()
        {
            int[] match = Ullmann.FindSubstructure(
                TestMoleculeFactory.MakeBenzene()).Match(
                TestMoleculeFactory.MakeNaphthalene());
            Assert.IsTrue(Compares.AreDeepEqual(new int[] { 2, 7, 6, 5, 4, 3 }, match));
            int count = Ullmann.FindSubstructure(
                TestMoleculeFactory.MakeBenzene()).MatchAll(
                TestMoleculeFactory.MakeNaphthalene()).ToReadOnlyList().Count;

            Assert.AreEqual(6, count); // note: aromatic one would be 24
        }