CCP4File.h

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

#ifndef BALL_FORMAT_CCP4FILE_H
#define BALL_FORMAT_CCP4FILE_H

#ifndef BALL_SYSTEM_FILE_H
# include <BALL/SYSTEM/file.h>
#endif

#ifndef BALL_DATATYPE_REGULARDATA3D_H
# include <BALL/DATATYPE/regularData3D.h>
#endif

namespace BALL
{
  class BALL_EXPORT CCP4File
    : public File
  {

    public:


    CCP4File();

    CCP4File(const String& name, File::OpenMode open_mode = std::ios::in);

    virtual ~CCP4File();



    virtual void clear();



    bool operator == (const CCP4File& file) const;



    virtual bool open(const String& name, File::OpenMode open_mode = std::ios::in);

    virtual bool readHeader();
    
    virtual bool readSymmetryRecords();

    virtual bool read(RegularData3D& map);
    
    virtual bool writeHeader();

    virtual bool write(RegularData3D& map);




    private:
      const CCP4File& operator = (const CCP4File& file);

    protected:

      int readBinValueasInt_(char* header, Position pos);
      
      float readBinValueasFloat_(char* header, Position pos);
      
      bool swap_bytes_;
      
      Distance offset_symops_;
      
      Size col_axis_;
      Size row_axis_;
      Size sec_axis_;

      Vector3 start_;

      Vector3 extent_;

      Vector3 sampling_rate_;
      
      Vector3 cell_dimension_;

      Angle alpha_, beta_, gamma_;

      float mean_density_;
      
      float deviation_sigma_;
      
      Index space_group_;

      Vector3 origin_, xaxis_, yaxis_, zaxis_;
  };
} // namespace BALL

#endif // BALL_FORMAT_DCDFILE_H