Files
rdkit/Code/GraphMol/FMCS/Target.h
2015-11-14 14:58:11 +01:00

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637 B
C++

//
// 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.
//
#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;
};
}
}