/** * Adds all atoms and electronContainers of a given atomcontainer to this container. * * @param atomContainer The atomcontainer to be added */ public void add(IAtomContainer atomContainer) { for (int f = 0; f < atomContainer.getAtomCount(); f++) { if (!contains(atomContainer.getAtom(f))) { addAtom(atomContainer.getAtom(f)); } } for (int f = 0; f < atomContainer.getBondCount(); f++) { if (!contains(atomContainer.getBond(f))) { addBond(atomContainer.getBond(f)); } } for (int f = 0; f < atomContainer.getLonePairCount(); f++) { if (!contains(atomContainer.getLonePair(f))) { addLonePair(atomContainer.getLonePair(f)); } } for (int f = 0; f < atomContainer.getSingleElectronCount(); f++) { if (!contains(atomContainer.getSingleElectron(f))) { addSingleElectron(atomContainer.getSingleElectron(f)); } } for (IStereoElement se : atomContainer.stereoElements()) stereoElements.add(se); notifyChanged(); }
/** * Adds a LonePair to this Atom. * * @param atomID The atom number to which the LonePair is added in [0,..] */ public void addLonePair(int atomID) { ILonePair lonePair = getBuilder().newInstance(ILonePair.class, atoms[atomID]); lonePair.addListener(this); addLonePair(lonePair); /* no notifyChanged() here because addElectronContainer() does it already */ }
public void addLonePair(int atomID) { logger.debug("Adding lone pair: ", atomID); super.addLonePair(atomID); }
public void addLonePair(ILonePair ec) { logger.debug("Adding lone pair: ", ec); super.addLonePair(ec); }