ccp4_spacegroup_ Struct Reference

Data structure of a space group descriptor. More...

#include <ccp4_spg.h>

List of all members.

Public Attributes
int	spg_num
int	spg_ccp4_num
char	symbol_Hall [40]
char	symbol_xHM [20]
char	symbol_old [20]
char	point_group [20]
char	crystal [20]
int	nlaue
char	laue_name [20]
int	laue_sampling [3]
int	npatt
char	patt_name [40]
int	nsymop
int	nsymop_prim
ccp4_symop *	symop
ccp4_symop *	invsymop
float	chb [3][3]
char	asu_descr [80]
int(*	asufn )(const int, const int, const int)
int	centrics [12]
int	epsilon [13]
char	mapasu_zero_descr [80]
float	mapasu_zero [3]
char	mapasu_ccp4_descr [80]
float	mapasu_ccp4 [3]

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Detailed Description

Data structure of a space group descriptor.

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Member Data Documentation

char ccp4_spacegroup_::asu_descr[80]

asu description from file

int(* ccp4_spacegroup_::asufn)(const int, const int, const int)

pointer to ASU function

int ccp4_spacegroup_::centrics[12]

symop which generates centric zone, 0 if none

float ccp4_spacegroup_::chb[3][3]

change of basis matrix from file

char ccp4_spacegroup_::crystal[20]

crystal system

int ccp4_spacegroup_::epsilon[13]

flag which epsilon zones are applicable

ccp4_symop* ccp4_spacegroup_::invsymop

inverse symmetry matrices

char ccp4_spacegroup_::laue_name[20]

Laue class name

int ccp4_spacegroup_::laue_sampling[3]

sampling factors for FFT

float ccp4_spacegroup_::mapasu_ccp4[3]

CCP4 map asu: upper limits

char ccp4_spacegroup_::mapasu_ccp4_descr[80]

CCP4 map asu: defaults to mapasu_zero

float ccp4_spacegroup_::mapasu_zero[3]

origin-based map asu: upper limits

char ccp4_spacegroup_::mapasu_zero_descr[80]

origin-based map asu: description from file

int ccp4_spacegroup_::nlaue

CCP4 Laue class number, inferred from asu_descr

int ccp4_spacegroup_::npatt

Patterson spacegroup number, inferred from asu_descr

int ccp4_spacegroup_::nsymop

total number of symmetry operations

int ccp4_spacegroup_::nsymop_prim

number of primitive symmetry operations

char ccp4_spacegroup_::patt_name[40]

Patterson spacegroup name

char ccp4_spacegroup_::point_group[20]

point group name

int ccp4_spacegroup_::spg_ccp4_num

CCP4 spacegroup number

int ccp4_spacegroup_::spg_num

true spacegroup number

char ccp4_spacegroup_::symbol_Hall[40]

Hall symbol

char ccp4_spacegroup_::symbol_old[20]

old spacegroup name

char ccp4_spacegroup_::symbol_xHM[20]

Extended Hermann Mauguin symbol

ccp4_symop* ccp4_spacegroup_::symop

symmetry matrices

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

• ccp4_spg.h

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