double Bond::getValenceContrib(Atom::ATOM_SPTR at) const { return getValenceContrib(at.get()); }
bool QueryAtom::Match(const Atom::ATOM_SPTR what) const { return Match(what.get()); }
void Bond::setEndAtom(Atom::ATOM_SPTR at) { PRECONDITION( dp_mol != 0, "no owning molecule for bond"); setEndAtomIdx(at->getIdx()); }