gpp4
1.3.1
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#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 |
MTZ symmetry struct.
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().