RDKit
Open-source cheminformatics and machine learning.
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Target.h
Go to the documentation of this file.
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//
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// Copyright (C) 2014 Novartis Institutes for BioMedical Research
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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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#include <
RDGeneral/export.h
>
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#pragma once
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#include <vector>
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#include <stdexcept>
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#include "../RDKitBase.h"
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#include "
Graph.h
"
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#include "
MatchTable.h
"
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#include "
DebugTrace.h
"
// algorithm filter definitions
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namespace
RDKit
{
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namespace
FMCS {
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struct
Target
{
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const
ROMol
*
Molecule
;
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Graph
Topology
;
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MatchTable
AtomMatchTable
;
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MatchTable
BondMatchTable
;
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};
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}
// namespace FMCS
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}
// namespace RDKit
DebugTrace.h
Graph.h
MatchTable.h
RDKit::FMCS::Graph
Definition
Graph.h:26
RDKit::FMCS::TArray2D< bool >
RDKit::ROMol
Definition
ROMol.h:199
export.h
RDKit
Std stuff.
Definition
Abbreviations.h:19
RDKit::FMCS::Target
Definition
Target.h:21
RDKit::FMCS::Target::Topology
Graph Topology
Definition
Target.h:23
RDKit::FMCS::Target::AtomMatchTable
MatchTable AtomMatchTable
Definition
Target.h:24
RDKit::FMCS::Target::BondMatchTable
MatchTable BondMatchTable
Definition
Target.h:25
RDKit::FMCS::Target::Molecule
const ROMol * Molecule
Definition
Target.h:22
GraphMol
FMCS
Target.h
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