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, DIM >	cellLength_ = { { 1., 1., 1. } }
	Length of the crystallographic unit cell in Ångström.
std::array< float, DIM >	cellAngles_ = { { 90., 90., 90. } }
	crystallographic unit cell angles
std::array< int32_t, DIM >	columnRowSectionToXyz_ = { { 0, 1, 2 } }
	Data axis order with columns varying the fastest, and sections the slowest.
std::array< int32_t, DIM >	numColumnRowSection_ = {}
	Column, row and section count.
std::array< int32_t, DIM >	columnRowSectionStart_ = {}
	Start of values in grid.
std::array< int32_t, DIM >	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.

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

• src/gromacs/fileio/mrcdensitymapheader.h