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/****************************************************************************
* Copyright (C) 2009-2015 EPAM Systems
*
* This file is part of Indigo toolkit.
*
* This file may be distributed and/or modified under the terms of the
* GNU General Public License version 3 as published by the Free Software
* Foundation and appearing in the file LICENSE.GPL included in the
* packaging of this file.
*
* This file is provided AS IS with NO WARRANTY OF ANY KIND, INCLUDING THE
* WARRANTY OF DESIGN, MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE.
***************************************************************************/
#ifndef __reaction_fingerprint__
#define __reaction_fingerprint__
#include "base_cpp/tlscont.h"
#include "base_cpp/cancellation_handler.h"
#ifdef _WIN32
#pragma warning(push)
#pragma warning(disable:4251)
#endif
namespace indigo {
class BaseReaction;
struct MoleculeFingerprintParameters;
class DLLEXPORT ReactionFingerprintBuilder
{
public:
ReactionFingerprintBuilder (BaseReaction &reaction, const MoleculeFingerprintParameters ¶meters);
bool query;
bool skip_ord;
bool skip_sim;
bool skip_ext;
void process ();
byte * get ();
byte * getSim ();
void parseFingerprintType(const char *type, bool query);
CancellationHandler* cancellation;
DECL_ERROR;
protected:
BaseReaction &_reaction;
const MoleculeFingerprintParameters &_parameters;
CP_DECL;
TL_CP_DECL(Array<byte>, _fingerprint);
private:
ReactionFingerprintBuilder (const ReactionFingerprintBuilder &); // no implicit copy
};
}
#ifdef _WIN32
#pragma warning(pop)
#endif
#endif
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