/**
* 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);
}