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9626726b85
* Fixes #4996 also switches to using the GraphMol version of catch_main.cpp so builds are faster * Fixes #4998 we should probably discuss this one * compare with previous results
28 lines
714 B
C++
28 lines
714 B
C++
//
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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 "Rule1a.h"
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#include "../Mancude.h"
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namespace RDKit {
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namespace CIPLabeler {
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Rule1a::Rule1a() = default;
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// CIP Rule 1a: Higher atomic number precedes lower.
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int Rule1a::compare(const Edge *a, const Edge *b) const {
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const auto afrac = a->getEnd()->getAtomicNumFraction();
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const auto bfrac = b->getEnd()->getAtomicNumFraction();
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return three_way_comparison(afrac, bfrac);
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}
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} // namespace CIPLabeler
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} // namespace RDKit
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