RDKit
Open-source cheminformatics and machine learning.
Edge.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 "Descriptor.h"
14 
15 namespace RDKit {
16 
17 class Bond;
18 
19 namespace CIPLabeler {
20 
21 class Node;
22 
23 class Edge {
24  public:
25  Edge() = delete;
26  Edge(const Edge &) = delete;
27  Edge &operator=(const Edge &) = delete;
28 
29  Edge(Node *beg, Node *end, Bond *bond);
30 
31  Node *getOther(const Node *node) const;
32 
33  Node *getBeg() const;
34 
35  Node *getEnd() const;
36 
37  Bond *getBond() const;
38 
39  Descriptor getAux() const;
40 
41  bool isBeg(const Node *node) const;
42 
43  bool isEnd(const Node *node) const;
44 
45  void setAux(Descriptor aux);
46 
47  void flip();
48 
49  private:
50  Node *dp_beg;
51  Node *dp_end;
52  Bond *dp_bond;
54 };
55 
56 } // namespace CIPLabeler
57 } // namespace RDKit
class for representing a bond
Definition: Bond.h:46
Edge & operator=(const Edge &)=delete
Node * getOther(const Node *node) const
bool isEnd(const Node *node) const
void setAux(Descriptor aux)
Node * getBeg() const
Edge(const Edge &)=delete
Edge(Node *beg, Node *end, Bond *bond)
bool isBeg(const Node *node) const
Descriptor getAux() const
Node * getEnd() const
Bond * getBond() const
Std stuff.
Definition: Abbreviations.h:18