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_symopsymop
ccp4_symopinvsymop
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]


Detailed Description

Data structure of a space group descriptor.

Member Data Documentation

true spacegroup number

Referenced by ccp4spg_load_spacegroup().

CCP4 spacegroup number

Referenced by ccp4spg_load_spacegroup(), and ccp4spg_print_recip_ops().

Hall symbol

Referenced by ccp4spg_load_spacegroup(), and ccp4spg_symbol_Hall().

old spacegroup name

Referenced by ccp4spg_load_spacegroup().

point group name

Referenced by ccp4spg_load_spacegroup(), and ccp4spg_print_recip_spgrp().

crystal system

CCP4 Laue class number, inferred from asu_descr

Referenced by ccp4spg_load_laue(), and ccp4spg_load_spacegroup().

sampling factors for FFT

Referenced by ccp4spg_load_laue(), ccp4spg_load_spacegroup(), and set_fft_grid().

Patterson spacegroup number, inferred from asu_descr

Referenced by ccp4spg_load_spacegroup().

Patterson spacegroup name

Referenced by ccp4spg_load_spacegroup().

number of primitive symmetry operations

Referenced by ccp4spg_load_spacegroup(), ccp4spg_print_recip_ops(), ccp4spg_put_in_asu(), and ccp4spg_set_epsilon_zones().

float ccp4_spacegroup_::chb[3][3]

change of basis matrix from file

Referenced by ccp4spg_is_in_asu(), and ccp4spg_load_spacegroup().

asu description from file

Referenced by ccp4spg_load_spacegroup(), and ccp4spg_print_recip_spgrp().

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

pointer to ASU function

Referenced by ccp4spg_is_in_asu(), ccp4spg_load_laue(), and ccp4spg_load_spacegroup().

symop which generates centric zone, 0 if none

Referenced by ccp4spg_centric_phase(), ccp4spg_is_centric(), ccp4spg_print_centric_zones(), and ccp4spg_set_centric_zones().

flag which epsilon zones are applicable

Referenced by ccp4spg_get_multiplicity(), ccp4spg_print_epsilon_zones(), and ccp4spg_set_epsilon_zones().

origin-based map asu: description from file

Referenced by ccp4spg_load_spacegroup().

origin-based map asu: upper limits

Referenced by ccp4spg_load_spacegroup().

CCP4 map asu: defaults to mapasu_zero

Referenced by ccp4spg_load_spacegroup().

CCP4 map asu: upper limits

Referenced by ccp4spg_load_spacegroup().


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

Generated on Wed Oct 29 21:05:09 2008 for gpp4 by  doxygen 1.5.6