tautomer.h

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/**********************************************************************
tautomer.h - Tautomer support

  Copyright (C) 2011 by Tim Vandermeersch

This file is part of the Open Babel project.
For more information, see <http://openbabel.org/>

This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation version 2 of the License.

This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
GNU General Public License for more details.
***********************************************************************/

#include <openbabel/babelconfig.h>
#ifndef OBAPI
  #define OBAPI
#endif

namespace OpenBabel {

  class OBMol;

  class OBAPI TautomerFunctor
  {
    public:
      virtual ~TautomerFunctor() {}
      virtual void operator()(OBMol *mol) = 0;
  }; 

  void OBAPI EnumerateTautomers(OBMol *mol, TautomerFunctor &functor);

  void OBAPI CanonicalTautomer(OBMol *mol);

}