RDKit: Edge.h Source File

| RDKit Open-source cheminformatics and machine learning.

Loading...
Searching...
No Matches
Edge.h
Go to the documentation of this file.
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
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;
53 Descriptor d_aux = Descriptor::NONE;
54};
55
56} // namespace CIPLabeler
57} // namespace RDKit
Descriptor.h
RDKit::Bond
class for representing a bond
Definition Bond.h:46
RDKit::CIPLabeler::Edge::getBeg
Node * getBeg() const
RDKit::CIPLabeler::Edge::isEnd
bool isEnd(const Node *node) const
RDKit::CIPLabeler::Edge::setAux
void setAux(Descriptor aux)
RDKit::CIPLabeler::Edge::getOther
Node * getOther(const Node *node) const
RDKit::CIPLabeler::Edge::Edge
Edge(const Edge &)=delete
RDKit::CIPLabeler::Edge::getEnd
Node * getEnd() const
RDKit::CIPLabeler::Edge::flip
void flip()
RDKit::CIPLabeler::Edge::getBond
Bond * getBond() const
RDKit::CIPLabeler::Edge::operator=
Edge & operator=(const Edge &)=delete
RDKit::CIPLabeler::Edge::Edge
Edge(Node *beg, Node *end, Bond *bond)
RDKit::CIPLabeler::Edge::isBeg
bool isBeg(const Node *node) const
RDKit::CIPLabeler::Edge::getAux
Descriptor getAux() const
RDKit::CIPLabeler::Edge::Edge
Edge()=delete
RDKit::CIPLabeler::Node
Definition Node.h:27
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