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38 lines
913 B
C++
38 lines
913 B
C++
//
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//
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// Copyright (C) 2020 Schrödinger, LLC
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//
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// @@ All Rights Reserved @@
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// This file is part of the RDKit.
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// The contents are covered by the terms of the BSD license
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// which is included in the file license.txt, found at the root
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// of the RDKit source tree.
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//
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#include "Rule6.h"
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#include "../Digraph.h"
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namespace RDKit {
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namespace CIPLabeler {
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Rule6::Rule6() = default;
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int Rule6::compare(const Edge *a, const Edge *b) const {
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const auto &digraph = a->getBeg()->getDigraph();
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const auto &ref = digraph->getRule6Ref();
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if (ref == nullptr) {
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return 0;
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}
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const auto &aAtom = a->getEnd()->getAtom();
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const auto &bAtom = b->getEnd()->getAtom();
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if (ref == aAtom && ref != bAtom) {
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return +1; // a is ref (has priority)
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} else if (ref != aAtom && ref == bAtom) {
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return -1; // b is ref (has priority)
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}
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return 0;
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}
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} // namespace CIPLabeler
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} // namespace RDKit
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