User 870ab5b546
01-04-2010 15:50:19
I am glad to see that you have added a MolAtom.getLigand(int) method that returns a MolAtom.
May I also suggest MolAtom.getLigands() to return a MolAtom[] ? It would be much easier than what we have to do now.
MolAtom[] ligands = atom.getLigands();
vs.
int numLigs = atom.getBondCount();
MolAtom[] ligands = new MolAtom[numLigs];
for (int ligNum = 0; ligNum < numLigs; ligNum++) {
ligands[ligNum] = atom.getLigand(ligNum);
}