/// <summary> /// Returns all the AtomContainer's of a ChemFile. /// </summary> public static IEnumerable <IAtomContainer> GetAllAtomContainers(IChemFile file) { foreach (var sequence in file) { foreach (var ac in ChemSequenceManipulator.GetAllAtomContainers(sequence)) { yield return(ac); } } yield break; }
public void TestGetAllAtomContainers_IChemSequence() { var list = ChemSequenceManipulator.GetAllAtomContainers(chemSequence); Assert.AreEqual(4, list.Count()); }