unsigned int Atom::getDegree() const { PRECONDITION(dp_mol,"degree not defined for atoms not associated with molecules"); return getOwningMol().getAtomDegree(this); }
void Bond::setEndAtomIdx(unsigned int what) { if(dp_mol) RANGE_CHECK(0,what,getOwningMol().getNumAtoms()-1); d_endAtomIdx = what; };