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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 "Rule5.h"
namespace RDKit {
namespace CIPLabeler {
namespace {
int ord(Descriptor lab) {
switch (lab) {
case Descriptor::M:
case Descriptor::R:
case Descriptor::seqCis:
return 2;
case Descriptor::P:
case Descriptor::S:
case Descriptor::seqTrans:
return 1;
default:
return 0;
}
}
} // namespace
Rule5::Rule5() = default;
int Rule5::compare(const Edge *a, const Edge *b) const {
int aOrdinal = ord(getBondLabel(a));
int bOrdinal = ord(getBondLabel(b));
int cmp = three_way_comparison(aOrdinal, bOrdinal);
if (cmp != 0) {
return cmp;
}
aOrdinal = ord(a->getEnd()->getAux());
bOrdinal = ord(b->getEnd()->getAux());
return 2 * three_way_comparison(aOrdinal, bOrdinal);
}
} // namespace CIPLabeler
} // namespace RDKit
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