Public Attributes

SYMGRP Struct Reference

#include <mtzdata.h>

List of all members.

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

number of symmetry operations

Referenced by ccp4_lhprt(), ccp4_lrsymm(), ccp4_lwsymm_c(), MtzGetUserCellTolerance(), MtzMalloc(), and MtzPut().

number of primitive symmetry ops.

Referenced by ccp4_lhprt(), ccp4_lrsymi_c(), ccp4_lwsymm_c(), MtzGetUserCellTolerance(), MtzMalloc(), and MtzPut().

char SYMGRP::pgname[11]
char SYMGRP::spcgrpname[MAXSPGNAMELENGTH+1]

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(), ccp4_lwsymm_c(), MtzGetUserCellTolerance(), MtzMalloc(), and MtzPut().

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

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

Referenced by ccp4_lhprt(), ccp4_lrsymm(), ccp4_lwsymm_c(), FORTRAN_SUBR(), MtzGetUserCellTolerance(), and MtzPut().

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

Referenced by ccp4_lhprt(), ccp4_lrsymi_c(), ccp4_lwsymm_c(), MtzGetUserCellTolerance(), MtzMalloc(), and MtzPut().


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