File: Rule1a.cpp

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//
//  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();
  if (afrac.numerator() == 0 || bfrac.numerator() == 0) {
    return 0;
  }

  return three_way_comparison(afrac, bfrac);
}

} // namespace CIPLabeler
} // namespace RDKit