Exemplo n.º 1
0
        public virtual void TestGetCyclicFragmentsContainer()
        {
            IAtomContainer ringSystems = azulene.GetCyclicFragmentsContainer();

            Assert.AreEqual(10, ringSystems.Atoms.Count);
            Assert.AreEqual(11, ringSystems.Bonds.Count);
        }
Exemplo n.º 2
0
        public virtual void TestGetSpanningTreeForPyridine()
        {
            IAtomContainer mol          = TestMoleculeFactory.MakePyridine();
            SpanningTree   spanningTree = new SpanningTree(mol);

            Assert.AreEqual(6, spanningTree.GetBondsCyclicCount());
            Assert.AreEqual(6, spanningTree.GetCyclicFragmentsContainer().Atoms.Count);
            Assert.AreEqual(0, spanningTree.GetBondsAcyclicCount());
        }