/// <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));
}
/// <summary> Returns all the AtomContainer's of a Reaction.</summary>
public static IAtomContainer[] getAllAtomContainers(ISetOfReactions set_Renamed)
{
return(SetOfMoleculesManipulator.getAllAtomContainers(getAllMolecules(set_Renamed)));
}
/// <summary> Returns all the AtomContainer's of a Reaction.</summary>
public static IAtomContainer[] getAllAtomContainers(IReaction reaction)
{
return(SetOfMoleculesManipulator.getAllAtomContainers(getAllMolecules(reaction)));
}