HINFile.h

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

#ifndef BALL_FORMAT_HINFILE_H
#define BALL_FORMAT_HINFILE_H

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

#ifndef BALL_MATHS_SIMPLEBOX3_H
# include <BALL/MATHS/simpleBox3.h>
#endif

namespace BALL 
{
  class BALL_EXPORT HINFile
    : public GenericMolFile
  {
    public:

    
    HINFile();

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

    virtual ~HINFile();


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


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

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

    virtual bool read(System& system)
      throw(Exception::ParseError);


        
    bool hasPeriodicBoundary() const;

    SimpleBox3 getPeriodicBoundary() const;

    float getTemperature() const;


    protected:
    
    SimpleBox3    box_;
    
    virtual void initRead_();

    float   temperature_;
  
    void writeAtom_(const Atom& atom, Size number, Size atom_offset);
  };
} // namespace BALL

#endif // BALL_FORMAT_HINFILE_H

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