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 TestGetBondsCyclicCount() { Assert.AreEqual(11, azulene.GetBondsCyclicCount()); Assert.AreEqual(0, ethane.GetBondsCyclicCount()); }