antechamberFile.h

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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//

#ifndef BALL_FORMAT_ANTECHAMBERFILE_H
#define BALL_FORMAT_ANTECHAMBERFILE_H

#ifndef BALL_FORMAT_GENERICMOLFILE_H
# include <BALL/FORMAT/genericMolFile.h>
#endif

namespace BALL
{
  class Atom;
  class AtomContainer;
  class System;

  class BALL_EXPORT AntechamberFile
    : public GenericMolFile
  {
    public:


      AntechamberFile();

      AntechamberFile(const String& filename, File::OpenMode open_mode = std::ios::in);

      virtual ~AntechamberFile();


      virtual bool write(const AtomContainer& ac);

      virtual bool write(const System& system);

      virtual bool read(System& system);

      virtual Molecule* read();

      virtual bool write(const Molecule& molecule);
  
    
    protected:
      void ac_split_(const String& line, std::vector<String>& split);
  };
}
#endif