genericMolFile.h

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

#ifndef BALL_FORMAT_GENERICMOLFILE_H
#define BALL_FORMAT_GENERICMOLFILE_H

#ifndef BALL_FORMAT_LINEBASEDFILE_H
# include <BALL/FORMAT/lineBasedFile.h>
#endif

namespace BALL 
{
  class Atom;
  class System;
  class Molecule;

  class BALL_EXPORT GenericMolFile
    : public LineBasedFile
  {
    public:


    GenericMolFile();

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

    virtual ~GenericMolFile();
    
    virtual void close();


  
    const GenericMolFile& operator = (const GenericMolFile& rhs);

    void defineInputAsTemporary(bool b = true);

    void enableOutputCompression(String zipped_filename);

    bool isCompressedFile();



    virtual bool write(const System& system);
    
    virtual bool write(const Molecule& molecule);
    
    virtual bool read(System& system);

    virtual Molecule* read();


  
    virtual GenericMolFile& operator >> (System& system);
    
    virtual GenericMolFile& operator << (const System& system);

    virtual GenericMolFile& operator >> (Molecule& molecule);
    
    virtual GenericMolFile& operator << (const Molecule& molecule);
    
    protected:
    virtual void initRead_();
      
    virtual void initWrite_();

    bool input_is_temporary_;
    bool compress_output_;
    bool gmf_is_closed_;
    String zipped_filename_;
    
  };
} // namespace BALL

#endif // BALL_FORMAT_GENERICMOLFILE_H