RDKit
Open-source cheminformatics and machine learning.
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 
15 namespace RDKit {
16 namespace 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:
26 
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
int compare(const Edge *a, const Edge *b) const override
Std stuff.
Definition: Abbreviations.h:19