public void TestGetAllAtomContainers_IRingSet()
{
IRingSet rs = builder.NewRingSet();
rs.Add(builder.NewRing());
rs.Add(builder.NewRing());
var list = RingSetManipulator.GetAllAtomContainers(rs);
Assert.AreEqual(2, list.Count());
}
/// <summary>
/// Puts all rings of a ringSet in a single atomContainer
/// </summary>
/// <param name="ringSet">The ringSet to use</param>
/// <returns>The produced atomContainer</returns>
public static IAtomContainer GetAllInOneContainer(IRingSet ringSet)
{
IAtomContainer resultContainer = ringSet.Builder.NewAtomContainer();
IEnumerator <IAtomContainer> containers = RingSetManipulator.GetAllAtomContainers(ringSet).GetEnumerator();
while (containers.MoveNext())
{
resultContainer.Add(containers.Current);
}
return(resultContainer);
}