RDKit
Open-source cheminformatics and machine learning.
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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
15namespace RDKit {
16
17class Bond;
18
19namespace CIPLabeler {
20
21class Node;
22
23class 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
40
41 bool isBeg(const Node *node) const;
42
43 bool isEnd(const Node *node) const;
44
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:47
Node * getBeg() const
bool isEnd(const Node *node) const
void setAux(Descriptor aux)
Node * getOther(const Node *node) const
Edge(const Edge &)=delete
Node * getEnd() const
Bond * getBond() const
Edge & operator=(const Edge &)=delete
Edge(Node *beg, Node *end, Bond *bond)
bool isBeg(const Node *node) const
Descriptor getAux() const
Std stuff.
bool rdvalue_is(const RDValue_cast_t)