public static void removeElectronContainer(ISetOfAtomContainers set_Renamed, IElectronContainer electrons)
{
IAtomContainer[] acs = set_Renamed.AtomContainers;
for (int i = 0; i < acs.Length; i++)
{
IAtomContainer container = acs[i];
if (container.contains(electrons))
{
container.removeElectronContainer(electrons);
IMolecule[] molecules = ConnectivityChecker.partitionIntoMolecules(container).Molecules;
if (molecules.Length > 1)
{
set_Renamed.removeAtomContainer(container);
for (int k = 0; k < molecules.Length; k++)
{
set_Renamed.addAtomContainer(molecules[k]);
}
}
return;
}
}
}
public static void removeAtomAndConnectedElectronContainers(ISetOfAtomContainers set_Renamed, IAtom atom)
{
IAtomContainer[] acs = set_Renamed.AtomContainers;
for (int i = 0; i < acs.Length; i++)
{
IAtomContainer container = acs[i];
if (container.contains(atom))
{
container.removeAtomAndConnectedElectronContainers(atom);
IMolecule[] molecules = ConnectivityChecker.partitionIntoMolecules(container).Molecules;
if (molecules.Length > 1)
{
set_Renamed.removeAtomContainer(container);
for (int k = 0; k < molecules.Length; k++)
{
set_Renamed.addAtomContainer(molecules[k]);
}
}
return;
}
}
}
