RDKit
Open-source cheminformatics and machine learning.
Rule1b.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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* <b>Sequence Rule 1b</b>
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* <i>"A duplicate atom node whose corresponding nonduplicated atom
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* node is the root or is closer to the root ranks higher than
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* a duplicate atom node whose corresponding nonduplicated atom
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* node is farther from the root."</i>
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*
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*/
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class
Rule1b
:
public
SequenceRule
{
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public
:
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Rule1b
();
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int
compare
(
const
Edge
*a,
const
Edge
*b)
const override
;
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/**
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* Flag indicates whether to match the problematic
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* IUPAC 2013 recommendations for Rule 1B.
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*/
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private
:
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static
const
bool
IUPAC_2013 =
false
;
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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::Rule1b
Definition:
Rule1b.h:26
RDKit::CIPLabeler::Rule1b::Rule1b
Rule1b()
RDKit::CIPLabeler::Rule1b::compare
int compare(const Edge *a, const Edge *b) const override
RDKit::CIPLabeler::SequenceRule
Definition:
SequenceRule.h:34
RDKit
Std stuff.
Definition:
Abbreviations.h:17
GraphMol
CIPLabeler
rules
Rule1b.h
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