Ejemplo n.º 1
0
		private IAtomContainer makeAtomContainer(IAtom atom, List<IBond> parts)
		{
			IAtomContainer partContainer = new AtomContainer();
			partContainer.addAtom(atom);
			foreach (var aBond in parts)
			{
				foreach (var bondedAtom in aBond.atoms().ToWindowsEnumerable<IAtom>())
				{
					if (!partContainer.contains(bondedAtom))
					{
						partContainer.addAtom(bondedAtom);
					}
				}
				partContainer.addBond(aBond);
			}
			return partContainer;
		}