gpp4  1.3.1
Public Attributes | List of all members
SYMGRP Struct Reference

#include <mtzdata.h>

Public Attributes

int spcgrp
 
char spcgrpname [MAXSPGNAMELENGTH+1]
 
int nsym
 
float sym [192][4][4]
 
int nsymp
 
char symtyp
 
char pgname [11]
 
char spg_confidence
 

Detailed Description

MTZ symmetry struct.

Member Data Documentation

◆ nsym

int SYMGRP::nsym

number of symmetry operations

Referenced by ccp4_lhprt(), ccp4_lrsymm(), and ccp4_lwsymm_c().

◆ nsymp

int SYMGRP::nsymp

number of primitive symmetry ops.

Referenced by ccp4_lhprt(), ccp4_lrsymi_c(), and ccp4_lwsymm_c().

◆ pgname

char SYMGRP::pgname[11]

pointgroup name

Referenced by ccp4_lhprt(), ccp4_lrsymi_c(), and ccp4_lwsymm_c().

◆ spcgrp

int SYMGRP::spcgrp

spacegroup number

Referenced by ccp4_lhprt(), ccp4_lrsymi_c(), ccp4_lwsymm_c(), and MtzSpacegroupNumber().

◆ spcgrpname

char SYMGRP::spcgrpname[MAXSPGNAMELENGTH+1]

spacegroup name

Referenced by ccp4_lhprt(), ccp4_lrsymi_c(), and ccp4_lwsymm_c().

◆ spg_confidence

char SYMGRP::spg_confidence

L => Bravais lattice correct P => pointgroup correct E => spacegroup or enantiomorph S => spacegroup is correct X => flag not set

Referenced by ccp4_lhprt(), ccp4_lrsymi_c(), ccp4_lwsymconf(), and ccp4_lwsymm_c().

◆ sym

float SYMGRP::sym[192][4][4]

symmetry operations (translations in [*][3])

Referenced by ccp4_lhprt(), ccp4_lrsymm(), and ccp4_lwsymm_c().

◆ symtyp

char SYMGRP::symtyp

lattice type (P,A,B,C,I,F,R)

Referenced by ccp4_lhprt(), ccp4_lrsymi_c(), and ccp4_lwsymm_c().


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