KCFFile.h

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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
// $Id: KCFFile.h,v 1.2 2005/12/23 17:01:44 amoll Exp $
//

#ifndef BALL_FORMAT_KCFFILE_H
#define BALL_FORMAT_KCFFILE_H

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

#ifndef BALL_MATHS_VECTOR3_H
# include <BALL/MATHS/vector3.h>
#endif

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

  class BALL_EXPORT KCFFile
    : public GenericMolFile
  {
    public:

    BALL_CREATE(KCFFile)


    
    static const char* ENTRY_TAG;
    static const char* NODE_TAG;
    static const char* EDGE_TAG;
    static const char* DELIMITER_TAG;
    static const char* CONTINUED_LINE;
    
    typedef HashMap<const Atom*, Position> AtomIndexMap;
    typedef HashMap<Position, Atom*> IndexAtomMap;
    

    KCFFile() ;

    KCFFile(const String& filename, File::OpenMode open_mode = std::ios::in)
      throw(Exception::FileNotFound);

    KCFFile(const KCFFile& file) throw(Exception::FileNotFound);

    virtual ~KCFFile() ;

    
    virtual bool write(const Molecule& molecule) throw(File::CannotWrite);

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

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

    const KCFFile& operator = (const KCFFile& file)
      ;


    protected:

    bool readENTRY_(Molecule& mol);   
    bool readNODE_(Molecule& mol, IndexAtomMap& index_to_atom);
    bool readEDGE_(IndexAtomMap& index_to_atom);    
    bool readDELIMITER_();
  };
  
} // namespace BALL

#endif // BALL_FORMAT_KCFFILE_H