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)
      throw(Exception::FileNotFound);

    virtual ~GenericMolFile();
    

  
    const GenericMolFile& operator = (const GenericMolFile& rhs)
      throw(Exception::FileNotFound);



    virtual bool write(const System& system)
      throw(File::CannotWrite);
    
    virtual bool write(const Molecule& molecule)
      throw(File::CannotWrite);
    
    virtual bool read(System& system)
      throw(Exception::ParseError);

    virtual Molecule* read()
      throw(Exception::ParseError);


  
    virtual GenericMolFile& operator >> (System& system)
      throw(Exception::ParseError);
    
    virtual GenericMolFile& operator << (const System& system)
      throw(File::CannotWrite);

    virtual GenericMolFile& operator >> (Molecule& molecule)
      throw(Exception::ParseError);
    
    virtual GenericMolFile& operator << (const Molecule& molecule)
      throw(File::CannotWrite);
    
    protected:
    virtual void initRead_();
      
    virtual void initWrite_();
    
  };
} // namespace BALL

#endif // BALL_FORMAT_GENERICMOLFILE_H

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