Пример #1
0
double Bond::getValenceContrib(Atom::ATOM_SPTR at) const {
  return getValenceContrib(at.get());
}
Пример #2
0
bool QueryAtom::Match(const Atom::ATOM_SPTR what) const {
  return Match(what.get());
}
Пример #3
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void Bond::setEndAtom(Atom::ATOM_SPTR at) {
  PRECONDITION( dp_mol != 0, "no owning molecule for bond");
  setEndAtomIdx(at->getIdx());
}