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()); }
public virtual void TestGetBondsAcyclicCount() { Assert.AreEqual(0, azulene.GetBondsAcyclicCount()); Assert.AreEqual(1, ethane.GetBondsAcyclicCount()); }