6 #ifndef BALL_FORMAT_CCP4FILE_H
7 #define BALL_FORMAT_CCP4FILE_H
9 #ifndef BALL_SYSTEM_FILE_H
13 #ifndef BALL_DATATYPE_REGULARDATA3D_H
BALL_EXPORT bool operator==(const String &s1, const String &s2)
virtual bool read(RegularData3D &map)
Vector3 cell_dimension_
dimension of the crystal unit cell in Angstrom/sample
Vector3 sampling_rate_
the sampling rates used for the map
virtual bool open(const String &name, File::OpenMode open_mode=std::ios::in)
Vector3 origin_
geometry in cartesian coordinates
virtual bool writeHeader()
Distance offset_symops_
number of bytes used for storing symmetry operations
Vector3 start_
the start coordinates in grid coordinates, i.e. indices
Index space_group_
space group number
Size col_axis_
how do columns, rows and sections correspond to specific axes: 0=x, 1=y, 2=z
Vector3 extent_
the extent of the map
float readBinValueasFloat_(char *header, Position pos)
virtual bool readHeader()
virtual bool readSymmetryRecords()
float deviation_sigma_
rms deviation of whole map from mean density value
bool swap_bytes_
flag indicating that we have to swap bytes when reading header values
int readBinValueasInt_(char *header, Position pos)
virtual ~CCP4File()
Destructor.
virtual void clear()
Clear method.
virtual bool write(RegularData3D &map)
CCP4File()
Default constructor.
Angle alpha_
angles of the crystal unit cell
float mean_density_
mean density value
CCP4File(const String &name, File::OpenMode open_mode=std::ios::in)
std::ios::openmode OpenMode