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42 lines
1.0 KiB
C++
42 lines
1.0 KiB
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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#pragma once
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#include "SequenceRule.h"
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namespace RDKit {
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namespace CIPLabeler {
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/**
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* <b>Sequence Rule 2</b>
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* <i>"Higher atomic mass number precedes lower."</i>
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*
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* To resolve the ambiguity of what the "atomic mass"
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* is in case of duplicate nodes, isotpes, etc, this is
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* implmemented as the "proposed" rule 2 from the original
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* paper:
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*
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* <i>"Higher mass precedes lower mass, where mass is defined
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* in the case of a duplicate node as 0, an atom with isotope
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* indicated as its exact isotopic mass, and in all other
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* cases as the element’s atomic weight."</i>
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*/
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class Rule2 : public SequenceRule {
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public:
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Rule2();
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int compare(const Edge *a, const Edge *b) const override;
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};
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} // namespace CIPLabeler
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} // namespace RDKit
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