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