public void TestGetAllChemObjects_IReactionSet()
{
var allObjects = ReactionManipulator.GetAllChemObjects(reaction);
// does not recurse beyond the IAtomContainer, so:
// reaction, 2xreactant, 1xproduct
Assert.AreEqual(4, allObjects.Count());
}
public static IEnumerable <IChemObject> GetAllChemObjects(IReactionSet set)
{
yield return(set);
foreach (var reaction in set)
{
foreach (var o in ReactionManipulator.GetAllChemObjects(reaction))
{
yield return(o);
}
}
yield break;
}
public static List <IChemObject> GetAllChemObjects(IReactionSet set)
{
List <IChemObject> list = new List <IChemObject>
{
set
};
foreach (var reaction in set)
{
list.AddRange(ReactionManipulator.GetAllChemObjects(reaction));
}
return(list);
}
