Gemmi C++ API
Loading...
Searching...
No Matches
Classes | Public Member Functions | Static Public Member Functions | Public Attributes | List of all members
gemmi::GroupOps Struct Reference

#include <symmetry.hpp>

Classes

struct  Iter
 

Public Member Functions

int order () const
 
void add_missing_elements ()
 
void add_missing_elements_part2 (const std::vector< Op > &gen, size_t max_size, bool ignore_bad_gen)
 
bool add_inversion ()
 
char find_centering () const
 
Op * find_by_rotation (const Op::Rot &r)
 
const Op * find_by_rotation (const Op::Rot &r) const
 
bool is_centrosymmetric () const
 
bool is_reflection_centric (const Op::Miller &hkl) const
 
int epsilon_factor_without_centering (const Op::Miller &hkl) const
 
int epsilon_factor (const Op::Miller &hkl) const
 
bool is_systematically_absent (const Op::Miller &hkl) const
 
void change_basis_impl (const Op &cob, const Op &inv)
 
void change_basis_forward (const Op &cob)
 
void change_basis_backward (const Op &inv)
 
std::vector< Op > all_ops_sorted () const
 
Op get_op (int n) const
 
bool is_same_as (const GroupOps &other) const
 
bool has_same_centring (const GroupOps &other) const
 
bool has_same_rotations (const GroupOps &other) const
 
std::array< int, 3 > find_grid_factors () const
 
bool are_directions_symmetry_related (int u, int v) const
 
GroupOps derive_symmorphic () const
 
Iter begin () const
 
Iter end () const
 

Static Public Member Functions

static bool has_phase_shift (const Op::Tran &c, const Op::Miller &hkl)
 

Public Attributes

std::vector< Op > sym_ops
 
std::vector< Op::Tran > cen_ops
 

Detailed Description

Definition at line 437 of file symmetry.hpp.

Member Function Documentation

◆ order()

int gemmi::GroupOps::order ( ) const
inline

Definition at line 441 of file symmetry.hpp.

◆ add_missing_elements()

void gemmi::GroupOps::add_missing_elements ( )
inline

Definition at line 674 of file symmetry.hpp.

◆ add_missing_elements_part2()

void gemmi::GroupOps::add_missing_elements_part2 ( const std::vector< Op > &  gen,
size_t  max_size,
bool  ignore_bad_gen 
)
inline

Definition at line 696 of file symmetry.hpp.

◆ add_inversion()

bool gemmi::GroupOps::add_inversion ( )
inline

Definition at line 447 of file symmetry.hpp.

◆ find_centering()

char gemmi::GroupOps::find_centering ( ) const
inline

Definition at line 461 of file symmetry.hpp.

◆ find_by_rotation() [1/2]

Op * gemmi::GroupOps::find_by_rotation ( const Op::Rot &  r)
inline

Definition at line 476 of file symmetry.hpp.

◆ find_by_rotation() [2/2]

const Op * gemmi::GroupOps::find_by_rotation ( const Op::Rot &  r) const
inline

Definition at line 483 of file symmetry.hpp.

◆ is_centrosymmetric()

bool gemmi::GroupOps::is_centrosymmetric ( ) const
inline

Definition at line 487 of file symmetry.hpp.

◆ is_reflection_centric()

bool gemmi::GroupOps::is_reflection_centric ( const Op::Miller &  hkl) const
inline

Definition at line 491 of file symmetry.hpp.

◆ epsilon_factor_without_centering()

int gemmi::GroupOps::epsilon_factor_without_centering ( const Op::Miller &  hkl) const
inline

Definition at line 499 of file symmetry.hpp.

◆ epsilon_factor()

int gemmi::GroupOps::epsilon_factor ( const Op::Miller &  hkl) const
inline

Definition at line 507 of file symmetry.hpp.

◆ has_phase_shift()

static bool gemmi::GroupOps::has_phase_shift ( const Op::Tran &  c,
const Op::Miller &  hkl 
)
inlinestatic

Definition at line 511 of file symmetry.hpp.

◆ is_systematically_absent()

bool gemmi::GroupOps::is_systematically_absent ( const Op::Miller &  hkl) const
inline

Definition at line 515 of file symmetry.hpp.

◆ change_basis_impl()

void gemmi::GroupOps::change_basis_impl ( const Op &  cob,
const Op &  inv 
)
inline

Definition at line 531 of file symmetry.hpp.

◆ change_basis_forward()

void gemmi::GroupOps::change_basis_forward ( const Op &  cob)
inline

Definition at line 573 of file symmetry.hpp.

◆ change_basis_backward()

void gemmi::GroupOps::change_basis_backward ( const Op &  inv)
inline

Definition at line 574 of file symmetry.hpp.

◆ all_ops_sorted()

std::vector< Op > gemmi::GroupOps::all_ops_sorted ( ) const
inline

Definition at line 576 of file symmetry.hpp.

◆ get_op()

Op gemmi::GroupOps::get_op ( int  n) const
inline

Definition at line 586 of file symmetry.hpp.

◆ is_same_as()

bool gemmi::GroupOps::is_same_as ( const GroupOps &  other) const
inline

Definition at line 592 of file symmetry.hpp.

◆ has_same_centring()

bool gemmi::GroupOps::has_same_centring ( const GroupOps &  other) const
inline

Definition at line 599 of file symmetry.hpp.

◆ has_same_rotations()

bool gemmi::GroupOps::has_same_rotations ( const GroupOps &  other) const
inline

Definition at line 612 of file symmetry.hpp.

◆ find_grid_factors()

std::array< int, 3 > gemmi::GroupOps::find_grid_factors ( ) const
inline

Definition at line 627 of file symmetry.hpp.

◆ are_directions_symmetry_related()

bool gemmi::GroupOps::are_directions_symmetry_related ( int  u,
int  v 
) const
inline

Definition at line 637 of file symmetry.hpp.

◆ derive_symmorphic()

GroupOps gemmi::GroupOps::derive_symmorphic ( ) const
inline

Definition at line 645 of file symmetry.hpp.

◆ begin()

Iter gemmi::GroupOps::begin ( ) const
inline

Definition at line 670 of file symmetry.hpp.

◆ end()

Iter gemmi::GroupOps::end ( ) const
inline

Definition at line 671 of file symmetry.hpp.

Member Data Documentation

◆ sym_ops

std::vector<Op> gemmi::GroupOps::sym_ops

Definition at line 438 of file symmetry.hpp.

◆ cen_ops

std::vector<Op::Tran> gemmi::GroupOps::cen_ops

Definition at line 439 of file symmetry.hpp.

The documentation for this struct was generated from the following file:
Generated by doxygen 1.9.8