FragCatGenerator.h

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//
//  Copyright (C) 2003-2006 Rational Discovery LLC
//
//   @@ 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>
#ifndef RD_FRAG_CAT_GENERATOR_H
#define RD_FRAG_CAT_GENERATOR_H
 
#include <Catalogs/Catalog.h>
#include "FragCatalogEntry.h"
#include "FragCatParams.h"
#include <GraphMol/Subgraphs/Subgraphs.h>
 
namespace RDKit {
class ROMol;
 
typedef RDCatalog::HierarchCatalog<FragCatalogEntry, FragCatParams, int>
    FragCatalog;
 
class RDKIT_FRAGCATALOG_EXPORT FragCatGenerator {
 public:
  FragCatGenerator() {}
 
  unsigned int addFragsFromMol(const ROMol &mol, FragCatalog *fcat);
};
}  // namespace RDKit
 
#endif