/** * 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 addSingleElectron(int atomID) { ISingleElectron singleElectron = getBuilder().newInstance(ISingleElectron.class, atoms[atomID]); singleElectron.addListener(this); addSingleElectron(singleElectron); /* no notifyChanged() here because addSingleElectron() does it already */ }
public void addSingleElectron(int atomID) { logger.debug("Adding single electron: ", atomID); super.addSingleElectron(atomID); }
public void addSingleElectron(ISingleElectron ec) { logger.debug("Adding single electron: ", ec); super.addSingleElectron(ec); }