RDKit: Rule1b.h Source File

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Rule1b.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 * <b>Sequence Rule 1b</b>
20 * <i>"A duplicate atom node whose corresponding nonduplicated atom
21 * node is the root or is closer to the root ranks higher than
22 * a duplicate atom node whose corresponding nonduplicated atom
23 * node is farther from the root."</i>
24 *
25 */
26 class Rule1b : public SequenceRule {
27 public:
28 Rule1b();
29
30 int compare(const Edge *a, const Edge *b) const override;
31
32 /**
33 * Flag indicates whether to match the problematic
34 * IUPAC 2013 recommendations for Rule 1B.
35 */
36 private:
37 static const bool IUPAC_2013 = false;
38};
39
40} // namespace CIPLabeler
41} // namespace RDKit
SequenceRule.h
RDKit::CIPLabeler::Edge
Definition Edge.h:23
RDKit::CIPLabeler::Rule1b::Rule1b
Rule1b()
RDKit::CIPLabeler::Rule1b::compare
int compare(const Edge *a, const Edge *b) const override
RDKit::CIPLabeler::SequenceRule::SequenceRule
SequenceRule()
RDKit::CIPLabeler
Definition CIPLabeler.h:27
RDKit
Std stuff.
Definition Abbreviations.h:19