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Rule2.h
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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.
//
#pragma once
#include "SequenceRule.h"
namespace RDKit {
namespace CIPLabeler {
/**
* <b>Sequence Rule 2</b>
* <i>"Higher atomic mass number precedes lower."</i>
*
* To resolve the ambiguity of what the "atomic mass"
* is in case of duplicate nodes, isotpes, etc, this is
* implmemented as the "proposed" rule 2 from the original
* paper:
*
* <i>"Higher mass precedes lower mass, where mass is defined
* in the case of a duplicate node as 0, an atom with isotope
* indicated as its exact isotopic mass, and in all other
* cases as the element’s atomic weight."</i>
*/
class Rule2 : public SequenceRule {
public:
Rule2();
int compare(const Edge *a, const Edge *b) const override;
};
} // namespace CIPLabeler
} // namespace RDKit
SequenceRule.h
RDKit::CIPLabeler::Edge
Definition Edge.h:23
RDKit::CIPLabeler::Rule2
Definition Rule2.h:33
RDKit::CIPLabeler::Rule2::compare
int compare(const Edge *a, const Edge *b) const override
RDKit::CIPLabeler::Rule2::Rule2
Rule2()
RDKit::CIPLabeler::SequenceRule
Definition SequenceRule.h:36
RDKit
Std stuff.
Definition Abbreviations.h:19