BALL::CCP4File Class Reference
[File Formats]

#include <BALL/FORMAT/CCP4File.h>

Inheritance diagram for BALL::CCP4File:

[legend]

List of all members.

Public Member Functions
Constructors and Destructor
	CCP4File ()
	Default constructor.
	CCP4File (const String &name, File::OpenMode open_mode=std::ios::in)
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)
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 CCP4File &	operator= (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
	)

Detailed constructor

Exceptions:

Exception::FileNotFound

if the file could not be opened

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
	)			[virtual]

open a CCP4File

Exceptions:

Exception::FileNotFound

if the file could not be opened

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

Angle BALL::CCP4File::alpha_ [protected]

angles of the crystal unit cell

Definition at line 136 of file CCP4File.h.

Angle BALL::CCP4File::beta_ [protected]

Definition at line 136 of file CCP4File.h.

Vector3 BALL::CCP4File::cell_dimension_ [protected]

dimension of the crystal unit cell in Angstrom/sample

Definition at line 133 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 119 of file CCP4File.h.

float BALL::CCP4File::deviation_sigma_ [protected]

rms deviation of whole map from mean density value

Definition at line 142 of file CCP4File.h.

Vector3 BALL::CCP4File::extent_ [protected]

the extent of the map

Definition at line 127 of file CCP4File.h.

Angle BALL::CCP4File::gamma_ [protected]

Definition at line 136 of file CCP4File.h.

float BALL::CCP4File::mean_density_ [protected]

mean density value

Definition at line 139 of file CCP4File.h.

int BALL::CCP4File::offset_symops_ [protected]

number of bytes used for storing symmetry operations

Definition at line 116 of file CCP4File.h.

Vector3 BALL::CCP4File::origin_ [protected]

geometry in cartesian coordinates

Definition at line 148 of file CCP4File.h.

int BALL::CCP4File::row_axis_ [protected]

Definition at line 120 of file CCP4File.h.

Vector3 BALL::CCP4File::sampling_rate_ [protected]

the sampling rates used for the map

Definition at line 130 of file CCP4File.h.

int BALL::CCP4File::sec_axis_ [protected]

Definition at line 121 of file CCP4File.h.

int BALL::CCP4File::space_group_ [protected]

space group number

Definition at line 145 of file CCP4File.h.

Vector3 BALL::CCP4File::start_ [protected]

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

Definition at line 124 of file CCP4File.h.

bool BALL::CCP4File::swap_bytes_ [protected]

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

Definition at line 113 of file CCP4File.h.

Vector3 BALL::CCP4File::xaxis_ [protected]

Definition at line 148 of file CCP4File.h.

Vector3 BALL::CCP4File::yaxis_ [protected]

Definition at line 148 of file CCP4File.h.

Vector3 BALL::CCP4File::zaxis_ [protected]

Definition at line 148 of file CCP4File.h.