RDKit
Open-source cheminformatics and machine learning.
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Rule5New.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 "
SequenceRule.h
"
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namespace
RDKit
{
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namespace
CIPLabeler {
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/**
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* A descriptor pair rule. This rule defines that like descriptor pairs have
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* priority over unlike descriptor pairs.
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*
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*/
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class
Rule5New
:
public
SequenceRule
{
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public
:
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Rule5New
();
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Rule5New
(
Descriptor
ref);
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int
compare
(
const
Edge
*a,
const
Edge
*b)
const override
;
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private
:
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const
Descriptor
d_ref =
Descriptor::NONE
;
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void
fillPairs(
const
Node
*
beg
,
PairList
&
plist
)
const
;
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Sort
getRefSorter(
const
SequenceRule
*
replacement_rule
)
const
;
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};
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}
// namespace CIPLabeler
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}
// namespace RDKit
SequenceRule.h
RDKit::CIPLabeler::Edge
Definition
Edge.h:23
RDKit::CIPLabeler::Node
Definition
Node.h:27
RDKit::CIPLabeler::PairList
Definition
Pairlist.h:32
RDKit::CIPLabeler::Rule5New
Definition
Rule5New.h:23
RDKit::CIPLabeler::Rule5New::Rule5New
Rule5New(Descriptor ref)
RDKit::CIPLabeler::Rule5New::compare
int compare(const Edge *a, const Edge *b) const override
RDKit::CIPLabeler::Rule5New::Rule5New
Rule5New()
RDKit::CIPLabeler::SequenceRule
Definition
SequenceRule.h:36
RDKit::CIPLabeler::Sort
Definition
Sort.h:28
RDKit::CIPLabeler::Descriptor
Descriptor
Definition
Descriptor.h:25
RDKit::CIPLabeler::Descriptor::NONE
@ NONE
RDKit
Std stuff.
Definition
Abbreviations.h:19
RDKit::rdvalue_is
bool rdvalue_is(const RDValue_cast_t)
Definition
RDValue-doublemagic.h:372
GraphMol
CIPLabeler
rules
Rule5New.h
Generated on Sun Dec 22 2024 04:42:57 for RDKit by
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