BALL::CCP4File Class Reference
[File Formats]
#include <BALL/FORMAT/CCP4File.h>
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 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 | |||
| ) | 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.
| virtual bool BALL::CCP4File::read | ( | RegularData3D & | map | ) | [virtual] |
Read the file into a RegularData3D field.
| 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 135 of file CCP4File.h.
Angle BALL::CCP4File::beta_ [protected] |
Definition at line 135 of file CCP4File.h.
Vector3 BALL::CCP4File::cell_dimension_ [protected] |
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.
float BALL::CCP4File::deviation_sigma_ [protected] |
rms deviation of whole map from mean density value
Definition at line 141 of file CCP4File.h.
Vector3 BALL::CCP4File::extent_ [protected] |
the extent of the map
Definition at line 126 of file CCP4File.h.
Angle BALL::CCP4File::gamma_ [protected] |
Definition at line 135 of file CCP4File.h.
float BALL::CCP4File::mean_density_ [protected] |
mean density value
Definition at line 138 of file CCP4File.h.
int BALL::CCP4File::offset_symops_ [protected] |
number of bytes used for storing symmetry operations
Definition at line 115 of file CCP4File.h.
Vector3 BALL::CCP4File::origin_ [protected] |
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.
Vector3 BALL::CCP4File::sampling_rate_ [protected] |
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.
int BALL::CCP4File::space_group_ [protected] |
space group number
Definition at line 144 of file CCP4File.h.
Vector3 BALL::CCP4File::start_ [protected] |
the start coordinates in grid coordinates, i.e. indices
Definition at line 123 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 112 of file CCP4File.h.
Vector3 BALL::CCP4File::xaxis_ [protected] |
Definition at line 147 of file CCP4File.h.
Vector3 BALL::CCP4File::yaxis_ [protected] |
Definition at line 147 of file CCP4File.h.
Vector3 BALL::CCP4File::zaxis_ [protected] |
Definition at line 147 of file CCP4File.h.
