public static void removeAtomAndConnectedElectronContainers(ISetOfReactions set_Renamed, IAtom atom)
{
IReaction[] reactions = set_Renamed.Reactions;
for (int i = 0; i < reactions.Length; i++)
{
IReaction reaction = reactions[i];
ReactionManipulator.removeAtomAndConnectedElectronContainers(reaction, atom);
}
}
public static void removeElectronContainer(ISetOfReactions set_Renamed, IElectronContainer electrons)
{
IReaction[] reactions = set_Renamed.Reactions;
for (int i = 0; i < reactions.Length; i++)
{
IReaction reaction = reactions[i];
ReactionManipulator.removeElectronContainer(reaction, electrons);
}
}
public static void setAtomProperties(ISetOfReactions set_Renamed, System.Object propKey, System.Object propVal)
{
IReaction[] reactions = set_Renamed.Reactions;
for (int i = 0; i < reactions.Length; i++)
{
IReaction reaction = reactions[i];
ReactionManipulator.setAtomProperties(reaction, propKey, propVal);
}
}
public static int getBondCount(ISetOfReactions set_Renamed)
{
int count = 0;
IReaction[] reactions = set_Renamed.Reactions;
for (int i = 0; i < reactions.Length; i++)
{
count += ReactionManipulator.getBondCount(reactions[i]);
}
return(count);
}
public static System.Collections.IList getAllChemObjects(ISetOfReactions set_Renamed)
{
System.Collections.ArrayList list = new System.Collections.ArrayList();
IReaction[] reactions = set_Renamed.Reactions;
for (int i = 0; i < reactions.Length; i++)
{
IReaction reaction = reactions[i];
list.AddRange(ReactionManipulator.getAllChemObjects(reaction));
}
return(list);
}
public static System.Collections.ArrayList getAllIDs(ISetOfReactions set_Renamed)
{
System.Collections.ArrayList IDlist = System.Collections.ArrayList.Synchronized(new System.Collections.ArrayList(10));
IReaction[] reactions = set_Renamed.Reactions;
for (int i = 0; i < reactions.Length; i++)
{
IReaction reaction = reactions[i];
IDlist.AddRange(ReactionManipulator.getAllIDs(reaction));
}
return(IDlist);
}
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);
}
/// <deprecated> This method has a serious performace impact. Try to use
/// other methods.
/// </deprecated>
public static IAtomContainer getAllInOneContainer(ISetOfReactions set_Renamed)
{
IAtomContainer container = set_Renamed.Builder.newAtomContainer();
IReaction[] reactions = set_Renamed.Reactions;
for (int i = 0; i < reactions.Length; i++)
{
IReaction reaction = reactions[i];
container.add(ReactionManipulator.getAllInOneContainer(reaction));
}
return(container);
}
public static IAtomContainer getRelevantAtomContainer(ISetOfReactions set_Renamed, IBond bond)
{
IReaction[] reactions = set_Renamed.Reactions;
for (int i = 0; i < reactions.Length; i++)
{
IReaction reaction = reactions[i];
IAtomContainer container = ReactionManipulator.getRelevantAtomContainer(reaction, bond);
if (container != null)
{
// a match!
return(container);
}
}
return(null);
}
