BALL::CCP4File Class Reference
[File Formats]

#include <BALL/FORMAT/CCP4File.h>

Inheritance diagram for BALL::CCP4File:
BALL::File

List of all members.


Public Member Functions

Constructors and Destructor
 CCP4File ()
 

Default constructor.


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

Detailed constructor.


virtual ~CCP4File ()
 

Destructor.


Assignment
virtual void clear ()
 

Clear method.


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

Equality operator.


Public methods for file handling
virtual bool open (const String &name, File::OpenMode open_mode=std::ios::in) throw (Exception::FileNotFound)
virtual bool readHeader ()
virtual bool readSymmetryRecords ()
virtual bool read (RegularData3D &map)
virtual bool writeHeader ()
virtual bool write (RegularData3D &map)

Protected Member Functions

int readBinValueasInt_ (char *header, Position pos)
float readBinValueasFloat_ (char *header, Position pos)

Protected Attributes

bool swap_bytes_
 

flag indicating that we have to swap bytes when reading header values


int offset_symops_
 

number of bytes used for storing symmetry operations


int col_axis_
 

how do columns, rows and sections correspond to specific axes: 0=x, 1=y, 2=z


int row_axis_
int sec_axis_
Vector3 start_
 

the start coordinates in grid coordinates, i.e. indices


Vector3 extent_
 

the extent of the map


Vector3 sampling_rate_
 

the sampling rates used for the map


Vector3 cell_dimension_
 

dimension of the crystal unit cell in Angstrom/sample


Angle alpha_
 

angles of the crystal unit cell


Angle beta_
Angle gamma_
float mean_density_
 

mean density value


float deviation_sigma_
 

rms deviation of whole map from mean density value


int space_group_
 

space group number


Vector3 origin_
 

geometry in cartesian coordinates


Vector3 xaxis_
Vector3 yaxis_
Vector3 zaxis_

Private Member Functions

const CCP4Fileoperator= (const CCP4File &file)

Detailed Description

CCP4 density map file format. This class enables BALL to read and write CCP4 - type binary electron density maps as used by the CCP4 project For detailed information on the file format CCP4 see: http://www.ccp4.ac.uk/html/maplib.html#introduction

Definition at line 26 of file CCP4File.h.


Constructor & Destructor Documentation

BALL::CCP4File::CCP4File (  ) 

Default constructor.

BALL::CCP4File::CCP4File ( const String name,
File::OpenMode  open_mode = std::ios::in 
) throw (Exception::FileNotFound)

Detailed constructor.

virtual BALL::CCP4File::~CCP4File (  )  [virtual]

Destructor.


Member Function Documentation

virtual void BALL::CCP4File::clear (  )  [virtual]

Clear method.

Reimplemented from BALL::File.

virtual bool BALL::CCP4File::open ( const String name,
File::OpenMode  open_mode = std::ios::in 
) throw (Exception::FileNotFound) [virtual]

open a CCP4File

Reimplemented from BALL::File.

const CCP4File& BALL::CCP4File::operator= ( const CCP4File file  )  [private]
bool BALL::CCP4File::operator== ( const CCP4File file  )  const

Equality operator.

virtual bool BALL::CCP4File::read ( RegularData3D map  )  [virtual]

Read the file into a RegularData3D field.

float BALL::CCP4File::readBinValueasFloat_ ( char *  header,
Position  pos 
) [protected]
int BALL::CCP4File::readBinValueasInt_ ( char *  header,
Position  pos 
) [protected]
virtual bool BALL::CCP4File::readHeader (  )  [virtual]

Read the header of an existing file. Return true if the header could be read successfully, false ow.

virtual bool BALL::CCP4File::readSymmetryRecords (  )  [virtual]

Read the symmetry records of an existing file if present. Return true if the symmetry records could be read successfully, false ow.

virtual bool BALL::CCP4File::write ( RegularData3D map  )  [virtual]

Write a RegularData3D to a CCP4 File Return true if the map could be written successfully, false ow.

virtual bool BALL::CCP4File::writeHeader (  )  [virtual]

Write a header Return true if the header could be written successfully, false ow.


Member Data Documentation

angles of the crystal unit cell

Definition at line 135 of file CCP4File.h.

Definition at line 135 of file CCP4File.h.

dimension of the crystal unit cell in Angstrom/sample

Definition at line 132 of file CCP4File.h.

int BALL::CCP4File::col_axis_ [protected]

how do columns, rows and sections correspond to specific axes: 0=x, 1=y, 2=z

Definition at line 118 of file CCP4File.h.

rms deviation of whole map from mean density value

Definition at line 141 of file CCP4File.h.

the extent of the map

Definition at line 126 of file CCP4File.h.

Definition at line 135 of file CCP4File.h.

mean density value

Definition at line 138 of file CCP4File.h.

number of bytes used for storing symmetry operations

Definition at line 115 of file CCP4File.h.

geometry in cartesian coordinates

Definition at line 147 of file CCP4File.h.

int BALL::CCP4File::row_axis_ [protected]

Definition at line 119 of file CCP4File.h.

the sampling rates used for the map

Definition at line 129 of file CCP4File.h.

int BALL::CCP4File::sec_axis_ [protected]

Definition at line 120 of file CCP4File.h.

space group number

Definition at line 144 of file CCP4File.h.

the start coordinates in grid coordinates, i.e. indices

Definition at line 123 of file CCP4File.h.

flag indicating that we have to swap bytes when reading header values

Definition at line 112 of file CCP4File.h.

Definition at line 147 of file CCP4File.h.

Definition at line 147 of file CCP4File.h.

Definition at line 147 of file CCP4File.h.


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