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Target.h
Go to the documentation of this file.
//
// Copyright (C) 2014 Novartis Institutes for BioMedical Research
//
// @@ All Rights Reserved @@
// This file is part of the RDKit.
// The contents are covered by the terms of the BSD license
// which is included in the file license.txt, found at the root
// of the RDKit source tree.
//
#include <RDGeneral/export.h>
#pragma once
#include <vector>
#include <stdexcept>
#include "../RDKitBase.h"
#include "Graph.h"
#include "MatchTable.h"
#include "DebugTrace.h" // algorithm filter definitions
namespace RDKit {
namespace FMCS {
struct Target {
const ROMol *Molecule;
Graph Topology;
MatchTable AtomMatchTable;
MatchTable BondMatchTable;
};
} // namespace FMCS
} // namespace RDKit
DebugTrace.h
Graph.h
MatchTable.h
RDKitBase.h
pulls in the core RDKit functionality
RDKit::FMCS::Graph
Definition Graph.h:26
RDKit::ROMol
Definition ROMol.h:319
export.h
RDKit::FMCS
Definition Composition2N.h:13
RDKit::FMCS::MatchTable
TArray2D< bool > MatchTable
Definition MatchTable.h:48
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