gemmi::SpaceGroup Struct Reference

#include <symmetry.hpp>

Public Member Functions
std::string	xhm () const
char	centring_type () const
char	ccp4_lattice_type () const
std::string	short_name () const
std::string	pdb_name () const
bool	is_sohncke () const
bool	is_enantiomorphic () const
bool	is_symmorphic () const
PointGroup	point_group () const
const char *	point_group_hm () const
Laue	laue_class () const
const char *	laue_str () const
CrystalSystem	crystal_system () const
const char *	crystal_system_str () const
bool	is_centrosymmetric () const
char	monoclinic_unique_axis () const
	returns 'a', 'b' or 'c' for monoclinic SG, '\0' otherwise
const char *	basisop_str () const
Op	basisop () const
bool	is_reference_setting () const
Op	centred_to_primitive () const
Op	change_of_hand_op () const
	Returns change-of-hand operator. Compatible with similar sgtbx function.
GroupOps	operations () const

Public Attributes
int	number
int	ccp4
char	hm [11]
char	ext
char	qualifier [5]
char	hall [15]
int	basisop_idx

Detailed Description

Definition at line 1135 of file symmetry.hpp.

Member Function Documentation

xhm()

std::string gemmi::SpaceGroup::xhm ( ) const

inline

Definition at line 1144 of file symmetry.hpp.

centring_type()

char gemmi::SpaceGroup::centring_type ( ) const

inline

Definition at line 1153 of file symmetry.hpp.

ccp4_lattice_type()

char gemmi::SpaceGroup::ccp4_lattice_type ( ) const

inline

Definition at line 1156 of file symmetry.hpp.

short_name()

std::string gemmi::SpaceGroup::short_name ( ) const

inline

Definition at line 1159 of file symmetry.hpp.

pdb_name()

std::string gemmi::SpaceGroup::pdb_name ( ) const

inline

Definition at line 1172 of file symmetry.hpp.

is_sohncke()

bool gemmi::SpaceGroup::is_sohncke ( ) const

inline

Definition at line 1179 of file symmetry.hpp.

is_enantiomorphic()

bool gemmi::SpaceGroup::is_enantiomorphic ( ) const

inline

Definition at line 1180 of file symmetry.hpp.

is_symmorphic()

bool gemmi::SpaceGroup::is_symmorphic ( ) const

inline

Definition at line 1181 of file symmetry.hpp.

point_group()

PointGroup gemmi::SpaceGroup::point_group ( ) const

inline

Definition at line 1182 of file symmetry.hpp.

point_group_hm()

const char * gemmi::SpaceGroup::point_group_hm ( ) const

inline

Definition at line 1183 of file symmetry.hpp.

laue_class()

Laue gemmi::SpaceGroup::laue_class ( ) const

inline

Definition at line 1186 of file symmetry.hpp.

laue_str()

const char * gemmi::SpaceGroup::laue_str ( ) const

inline

Definition at line 1187 of file symmetry.hpp.

crystal_system()

CrystalSystem gemmi::SpaceGroup::crystal_system ( ) const

inline

Definition at line 1188 of file symmetry.hpp.

crystal_system_str()

const char * gemmi::SpaceGroup::crystal_system_str ( ) const

inline

Definition at line 1191 of file symmetry.hpp.

is_centrosymmetric()

bool gemmi::SpaceGroup::is_centrosymmetric ( ) const

inline

Definition at line 1194 of file symmetry.hpp.

monoclinic_unique_axis()

char gemmi::SpaceGroup::monoclinic_unique_axis ( ) const

inline

returns 'a', 'b' or 'c' for monoclinic SG, '\0' otherwise

Definition at line 1199 of file symmetry.hpp.

basisop_str()

const char * gemmi::SpaceGroup::basisop_str ( ) const

inline

Definition at line 1205 of file symmetry.hpp.

basisop()

Op gemmi::SpaceGroup::basisop ( ) const

inline

Definition at line 1206 of file symmetry.hpp.

is_reference_setting()

bool gemmi::SpaceGroup::is_reference_setting ( ) const

inline

Definition at line 1207 of file symmetry.hpp.

centred_to_primitive()

Op gemmi::SpaceGroup::centred_to_primitive ( ) const

inline

Definition at line 1209 of file symmetry.hpp.

change_of_hand_op()

Op gemmi::SpaceGroup::change_of_hand_op ( ) const

inline

Returns change-of-hand operator. Compatible with similar sgtbx function.

Definition at line 1214 of file symmetry.hpp.

operations()

GroupOps gemmi::SpaceGroup::operations ( ) const

inline

Definition at line 1226 of file symmetry.hpp.

Member Data Documentation

number

int gemmi::SpaceGroup::number

Definition at line 1136 of file symmetry.hpp.

ccp4

int gemmi::SpaceGroup::ccp4

Definition at line 1137 of file symmetry.hpp.

hm

char gemmi::SpaceGroup::hm[11]

Definition at line 1138 of file symmetry.hpp.

ext

char gemmi::SpaceGroup::ext

Definition at line 1139 of file symmetry.hpp.

qualifier

char gemmi::SpaceGroup::qualifier[5]

Definition at line 1140 of file symmetry.hpp.

hall

char gemmi::SpaceGroup::hall[15]

Definition at line 1141 of file symmetry.hpp.

basisop_idx

int gemmi::SpaceGroup::basisop_idx

Definition at line 1142 of file symmetry.hpp.

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

• /home/wojdyr/gemmi/gemmi/include/gemmi/symmetry.hpp