/// <summary> Returns all the AtomContainer's of a ChemModel.</summary>
public static IAtomContainer[] getAllAtomContainers(IChemModel chemModel)
{
ISetOfMolecules moleculeSet = chemModel.Builder.newSetOfMolecules();
if (chemModel.SetOfMolecules != null)
{
moleculeSet.add(chemModel.SetOfMolecules);
}
if (chemModel.SetOfReactions != null)
{
moleculeSet.add(SetOfReactionsManipulator.getAllMolecules(chemModel.SetOfReactions));
}
return(SetOfMoleculesManipulator.getAllAtomContainers(moleculeSet));
}
public static ISetOfMolecules getAllMolecules(ISetOfReactions set_Renamed)
{
ISetOfMolecules moleculeSet = set_Renamed.Builder.newSetOfMolecules();
IReaction[] reactions = set_Renamed.Reactions;
for (int i = 0; i < reactions.Length; i++)
{
IReaction reaction = reactions[i];
moleculeSet.add(ReactionManipulator.getAllMolecules(reaction));
}
return(moleculeSet);
}
