public virtual void TestGetCyclicFragmentsContainer() { IAtomContainer ringSystems = azulene.GetCyclicFragmentsContainer(); Assert.AreEqual(10, ringSystems.Atoms.Count); Assert.AreEqual(11, ringSystems.Bonds.Count); }
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()); }