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gmx::MrcDensityMapHeader Struct Reference

#include <gromacs/fileio/mrcdensitymapheader.h>

+ Collaboration diagram for gmx::MrcDensityMapHeader:

Description

A container for the data in mrc density map file formats.

Mrc files are a widely used file format in crystallography and cryo electron microscopy to represent volumetric data. Covers ccp4, map and imod.

For a detailed description see "EMDB Map Distribution Format Description Version 1.01 (c) emdatabank.org 2014"

Public Attributes

SpaceGroup spaceGroup_ = SpaceGroup::P1
 Space group of stored data.
 
MrcDataMode dataMode_ = MrcDataMode::float32
 Data mode, currently only mode 2 is supported.
 
std::array< unsigned char, 4 > formatIdentifier_ = { { 'M', 'A', 'P', ' ' } }
 Identifies file format, expected to be "MAP ".
 
std::array< float, 15 > userDefinedFloat_ = {}
 15 unspecified float numbers
 
CrystallographicLabels labels_ = {}
 Labels for crystallographic data.
 
std::array< float, 3 > cellLength_ = { { 1., 1., 1. } }
 Length of the crystallographic unit cell in Ångström.
 
std::array< float, 3 > cellAngles_ = { { 90., 90., 90. } }
 crystallographic unit cell angles
 
std::array< int32_t, 3 > columnRowSectionToXyz_ = { { 0, 1, 2 } }
 Data axis order with columns varying the fastest, and sections the slowest.
 
std::array< int32_t, 3 > numColumnRowSection_ = {}
 Column, row and section count.
 
std::array< int32_t, 3 > columnRowSectionStart_ = {}
 Start of values in grid.
 
std::array< int32_t, 3 > extent_ = {}
 The number of grid points in the crystall cell.
 
MrcDataStatistics dataStatistics_ = {}
 Statistics about the data stored in the file.
 
MrcDensitySkewData skewData_ = {}
 Data to perform crystallographic unit cell skewing.
 
std::vector< unsigned char > extendedHeader_ = {}
 Extended header with symmetry tables.
 

The documentation for this struct was generated from the following file: