RDKit
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Edge.h
Go to the documentation of this file.
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//
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//
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// Copyright (C) 2020 Schrödinger, LLC
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//
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// @@ All Rights Reserved @@
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// This file is part of the RDKit.
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// The contents are covered by the terms of the BSD license
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// which is included in the file license.txt, found at the root
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// of the RDKit source tree.
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//
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#pragma once
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#include "
Descriptor.h
"
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namespace
RDKit
{
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class
Bond
;
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namespace
CIPLabeler
{
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class
Node
;
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class
Edge
{
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public
:
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Edge
() =
delete
;
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Edge
(
const
Edge
&) =
delete
;
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Edge
&
operator=
(
const
Edge
&) =
delete
;
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Edge
(
Node
*beg,
Node
*end,
Bond
*bond);
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Node
*
getOther
(
const
Node
*node)
const
;
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Node
*
getBeg
()
const
;
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Node
*
getEnd
()
const
;
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Bond
*
getBond
()
const
;
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Descriptor
getAux
()
const
;
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bool
isBeg
(
const
Node
*node)
const
;
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bool
isEnd
(
const
Node
*node)
const
;
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void
setAux
(
Descriptor
aux);
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void
flip
();
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private
:
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Node
*dp_beg;
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Node
*dp_end;
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Bond
*dp_bond;
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Descriptor
d_aux =
Descriptor::NONE
;
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};
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}
// namespace CIPLabeler
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}
// namespace RDKit
Descriptor.h
RDKit::Bond
class for representing a bond
Definition
Bond.h:48
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:28
RDKit::CIPLabeler
Definition
CIPLabeler.h:27
RDKit::CIPLabeler::Descriptor
Descriptor
Definition
Descriptor.h:26
RDKit::CIPLabeler::Descriptor::NONE
@ NONE
Definition
Descriptor.h:27
RDKit
Std stuff.
Definition
Abbreviations.h:19
GraphMol
CIPLabeler
Edge.h
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