/// <summary>
/// Remove an ElectronContainer from all AtomContainers
/// inside an IChemModel.
/// </summary>
/// <param name="chemModel">The IChemModel object.</param>
/// <param name="electrons">The ElectronContainer to remove.</param>
public static void RemoveElectronContainer(IChemModel chemModel, IElectronContainer electrons)
{
ICrystal crystal = chemModel.Crystal;
if (crystal != null)
{
if (crystal.Contains(electrons))
{
crystal.Remove(electrons);
}
return;
}
IChemObjectSet <IAtomContainer> moleculeSet = chemModel.MoleculeSet;
if (moleculeSet != null)
{
MoleculeSetManipulator.RemoveElectronContainer(moleculeSet, electrons);
}
IReactionSet reactionSet = chemModel.ReactionSet;
if (reactionSet != null)
{
ReactionSetManipulator.RemoveElectronContainer(reactionSet, electrons);
}
}
/// <summary>
/// Remove an Atom and the connected ElectronContainers from all AtomContainers
/// inside an IChemModel.
/// </summary>
/// <param name="chemModel">The IChemModel object.</param>
/// <param name="atom">The Atom object to remove.</param>
public static void RemoveAtomAndConnectedElectronContainers(IChemModel chemModel, IAtom atom)
{
ICrystal crystal = chemModel.Crystal;
if (crystal != null)
{
if (crystal.Contains(atom))
{
crystal.RemoveAtom(atom);
}
return;
}
IChemObjectSet <IAtomContainer> moleculeSet = chemModel.MoleculeSet;
if (moleculeSet != null)
{
MoleculeSetManipulator.RemoveAtomAndConnectedElectronContainers(moleculeSet, atom);
}
IReactionSet reactionSet = chemModel.ReactionSet;
if (reactionSet != null)
{
ReactionSetManipulator.RemoveAtomAndConnectedElectronContainers(reactionSet, atom);
}
}
