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

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Detailed Description

MTZ symmetry struct.

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Member Data Documentation

int SYMGRP::nsym

number of symmetry operations

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

int SYMGRP::nsymp

number of primitive symmetry ops.

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

char SYMGRP::pgname[11]

pointgroup name

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

int SYMGRP::spcgrp

spacegroup number

Referenced by ccp4_lhprt(), ccp4_lhprt_adv(), ccp4_lrsymi_c(), ccp4_lwsymm_c(), MtzGetUserCellTolerance(), MtzMalloc(), MtzPut(), and MtzSpacegroupNumber().

char SYMGRP::spcgrpname[MAXSPGNAMELENGTH+1]

spacegroup name

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

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(), 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().

char SYMGRP::symtyp

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

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

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

• src/mtzdata.h