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DSN6File.h
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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
#ifndef BALL_FORMAT_DSN6FILE_H
#define BALL_FORMAT_DSN6FILE_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 DSN6File
: public File
{
public:
DSN6File();
DSN6File(const String& name, File::OpenMode open_mode = std::ios::in);
virtual ~DSN6File();
virtual void clear();
bool operator == (const DSN6File& file) const;
bool isSwappingBytes() const;
virtual bool open(const String& name, File::OpenMode open_mode = std::ios::in);
virtual bool readHeader();
virtual bool read(RegularData3D& map);
virtual bool writeHeader();
private:
const DSN6File& operator = (const DSN6File& file);
protected:
short int readHeaderValue_(char* header, Position pos);
void convertBrick_(char* brick);
bool swap_bytes_;
Vector3 start_;
Vector3 extent_;
Vector3 sampling_rate_;
Vector3 crystal_dimension_;
Angle alpha_, beta_, gamma_;
float cell_scaling_;
float prod_;
float plus_;
Vector3 origin_, xaxis_, yaxis_, zaxis_;
};
} // namespace BALL
#endif // BALL_FORMAT_DCDFILE_H
BALL_EXPORT
#define BALL_EXPORT
Definition COMMON/global.h:50
BALL::DSN6File::DSN6File
DSN6File()
Default constructor.
BALL::DSN6File::readHeaderValue_
short int readHeaderValue_(char *header, Position pos)
BALL::DSN6File::extent_
Vector3 extent_
the extent of the map
Definition DSN6File.h:106
BALL::DSN6File::swap_bytes_
bool swap_bytes_
a flag indicating that we have to swap bytes when reading header values
Definition DSN6File.h:100
BALL::DSN6File::read
virtual bool read(RegularData3D &map)
BALL::DSN6File::crystal_dimension_
Vector3 crystal_dimension_
dimension of the crystal unit cell in Angstrom/sample
Definition DSN6File.h:112
BALL::DSN6File::~DSN6File
virtual ~DSN6File()
Destructor.
BALL::DSN6File::start_
Vector3 start_
the start coordinates in grid coordinates, i.e. indices
Definition DSN6File.h:103
BALL::DSN6File::xaxis_
Vector3 xaxis_
Definition DSN6File.h:125
BALL::DSN6File::gamma_
Angle gamma_
Definition DSN6File.h:115
BALL::DSN6File::readHeader
virtual bool readHeader()
BALL::DSN6File::prod_
float prod_
conversion factors for the density map
Definition DSN6File.h:121
BALL::DSN6File::writeHeader
virtual bool writeHeader()
BALL::DSN6File::isSwappingBytes
bool isSwappingBytes() const
BALL::DSN6File::cell_scaling_
float cell_scaling_
scaling factor for the cell geometry
Definition DSN6File.h:118
BALL::DSN6File::zaxis_
Vector3 zaxis_
Definition DSN6File.h:125
BALL::DSN6File::yaxis_
Vector3 yaxis_
Definition DSN6File.h:125
BALL::DSN6File::origin_
Vector3 origin_
geometry in cartesian coordinates
Definition DSN6File.h:125
BALL::DSN6File::DSN6File
DSN6File(const String &name, File::OpenMode open_mode=std::ios::in)
Detailed constructor.
BALL::DSN6File::convertBrick_
void convertBrick_(char *brick)
BALL::DSN6File::plus_
float plus_
Definition DSN6File.h:122
BALL::DSN6File::open
virtual bool open(const String &name, File::OpenMode open_mode=std::ios::in)
BALL::DSN6File::sampling_rate_
Vector3 sampling_rate_
the sampling rates used for the map
Definition DSN6File.h:109
BALL::DSN6File::clear
virtual void clear()
Clear method.
BALL::DSN6File::beta_
Angle beta_
Definition DSN6File.h:115
BALL::DSN6File::alpha_
Angle alpha_
angles of the crystal unit cell
Definition DSN6File.h:115
BALL::File::File
File()
BALL::File::OpenMode
std::ios::openmode OpenMode
Definition file.h:165
BALL::String
Definition string.h:57
file.h
BALL
Definition constants.h:13
BALL::RegularData3D
TRegularData3D< float > RegularData3D
Definition regularData3D.h:515
BALL::Position
BALL_SIZE_TYPE Position
Definition COMMON/global.h:140
BALL::Vector3
TVector3< float > Vector3
Definition vector3.h:1084
BALL::Angle
TAngle< float > Angle
Definition angle.h:697
regularData3D.h