// // Copyright (C) 2020 Schrödinger, LLC // // @@ All Rights Reserved @@ // This file is part of the RDKit. // The contents are covered by the terms of the BSD license // which is included in the file license.txt, found at the root // of the RDKit source tree. // #include "Rule1a.h" #include "../Mancude.h" namespace RDKit { namespace CIPLabeler { Rule1a::Rule1a() = default; // CIP Rule 1a: Higher atomic number precedes lower. int Rule1a::compare(const Edge *a, const Edge *b) const { const auto afrac = a->getEnd()->getAtomicNumFraction(); const auto bfrac = b->getEnd()->getAtomicNumFraction(); return three_way_comparison(afrac, bfrac); } } // namespace CIPLabeler } // namespace RDKit