RDKit: Rule5New.h Source File

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Rule5New.h
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1//
2//
3// Copyright (C) 2020 Schrödinger, LLC
4//
5// @@ All Rights Reserved @@
6// This file is part of the RDKit.
7// The contents are covered by the terms of the BSD license
8// which is included in the file license.txt, found at the root
9// of the RDKit source tree.
10//
11#pragma once
12
13#include "SequenceRule.h"
14
15namespace RDKit {
16namespace CIPLabeler {
17
18/**
19 * A descriptor pair rule. This rule defines that like descriptor pairs have
20 * priority over unlike descriptor pairs.
21 *
22 */
23 class Rule5New : public SequenceRule {
24 public:
25 Rule5New();
26
27 Rule5New(Descriptor ref);
28
29 int compare(const Edge *a, const Edge *b) const override;
30
31 private:
32 const Descriptor d_ref = Descriptor::NONE;
33
34 void fillPairs(const Node *beg, PairList &plist) const;
35
36 Sort getRefSorter(const SequenceRule *replacement_rule) const;
37};
38
39} // namespace CIPLabeler
40} // 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::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::SequenceRule
SequenceRule()
RDKit::CIPLabeler::Sort
Definition Sort.h:28
RDKit::CIPLabeler
Definition CIPLabeler.h:27
RDKit::CIPLabeler::Descriptor
Descriptor
Definition Descriptor.h:25
RDKit::CIPLabeler::Descriptor::NONE
@ NONE
Definition Descriptor.h:26
RDKit
Std stuff.
Definition Abbreviations.h:19