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Rule5New.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 {
/**
* A descriptor pair rule. This rule defines that like descriptor pairs have
* priority over unlike descriptor pairs.
*
*/
class Rule5New : public SequenceRule {
public:
Rule5New();
Rule5New(Descriptor ref);
int compare(const Edge *a, const Edge *b) const override;
private:
const Descriptor d_ref = Descriptor::NONE;
void fillPairs(const Node *beg, PairList &plist) const;
Sort getRefSorter(const SequenceRule *replacement_rule) const;
};
} // namespace CIPLabeler
} // namespace RDKit
SequenceRule.h
RDKit::CIPLabeler::Edge
Definition Edge.h:23
RDKit::CIPLabeler::Node
Definition Node.h:27
RDKit::CIPLabeler::PairList
Definition Pairlist.h:32
RDKit::CIPLabeler::Rule5New
Definition Rule5New.h:23
RDKit::CIPLabeler::Rule5New::Rule5New
Rule5New(Descriptor ref)
RDKit::CIPLabeler::Rule5New::compare
int compare(const Edge *a, const Edge *b) const override
RDKit::CIPLabeler::Rule5New::Rule5New
Rule5New()
RDKit::CIPLabeler::SequenceRule
Definition SequenceRule.h:36
RDKit::CIPLabeler::Sort
Definition Sort.h:28
RDKit::CIPLabeler::Descriptor
Descriptor
Definition Descriptor.h:25
RDKit::CIPLabeler::Descriptor::NONE
@ NONE
RDKit
Std stuff.
Definition Abbreviations.h:19
RDKit::rdvalue_is
bool rdvalue_is(const RDValue_cast_t)
Definition RDValue-doublemagic.h:372