gemmi::Op Struct Reference

#include <symmetry.hpp>

Public Types
typedef std::array< std::array< int, 3 >, 3 >	Rot
typedef std::array< int, 3 >	Tran
using	Miller = std::array< int, 3 >

Public Member Functions
bool	is_hkl () const
Op	as_hkl () const
Op	as_xyz () const
std::string	triplet (char style=' ') const
Op	inverse () const
Op::Tran	wrapped_tran () const
Op &	wrap ()
Op &	translate (const Tran &a)
Op	translated (const Tran &a) const
Op	add_centering (const Tran &a) const
Rot	negated_rot () const
Rot	transposed_rot () const
int	det_rot () const
int	rot_type () const
Op	combine (const Op &b) const
std::array< double, 3 >	apply_to_xyz (const std::array< double, 3 > &xyz) const
Miller	apply_to_hkl_without_division (const Miller &hkl) const
Miller	apply_to_hkl (const Miller &hkl) const
double	phase_shift (const Miller &hkl) const
std::array< std::array< int, 4 >, 4 >	int_seitz () const
std::array< std::array< double, 4 >, 4 >	float_seitz () const
bool	operator< (const Op &rhs) const

Static Public Member Functions
static Rot	transpose (const Rot &rot)
static Miller	divide_hkl_by_DEN (const Miller &hkl)
static constexpr Op	identity ()
static constexpr Op::Rot	inversion_rot ()

Public Attributes
Rot	rot
Tran	tran
char	notation = ' '

Static Public Attributes
static constexpr int	DEN = 24

Detailed Description

Definition at line 30 of file symmetry.hpp.

Member Typedef Documentation

Rot

typedef std::array<std::array<int, 3>, 3> gemmi::Op::Rot

Definition at line 32 of file symmetry.hpp.

Tran

typedef std::array<int, 3> gemmi::Op::Tran

Definition at line 33 of file symmetry.hpp.

Miller

using gemmi::Op::Miller = std::array<int, 3>

Definition at line 139 of file symmetry.hpp.

Member Function Documentation

is_hkl()

bool gemmi::Op::is_hkl ( ) const

inline

Definition at line 39 of file symmetry.hpp.

as_hkl()

Op gemmi::Op::as_hkl ( ) const

inline

Definition at line 41 of file symmetry.hpp.

as_xyz()

Op gemmi::Op::as_xyz ( ) const

inline

Definition at line 44 of file symmetry.hpp.

triplet()

std::string gemmi::Op::triplet

(

char

style = ' '

)

const

inverse()

Op gemmi::Op::inverse ( ) const

inline

Definition at line 195 of file symmetry.hpp.

wrapped_tran()

Op::Tran gemmi::Op::wrapped_tran ( ) const

inline

Definition at line 52 of file symmetry.hpp.

wrap()

Op & gemmi::Op::wrap ( )

inline

Definition at line 64 of file symmetry.hpp.

translate()

Op & gemmi::Op::translate ( const Tran &  a )

inline

Definition at line 69 of file symmetry.hpp.

translated()

Op gemmi::Op::translated ( const Tran &  a ) const

inline

Definition at line 75 of file symmetry.hpp.

add_centering()

Op gemmi::Op::add_centering ( const Tran &  a ) const

inline

Definition at line 77 of file symmetry.hpp.

negated_rot()

Rot gemmi::Op::negated_rot ( ) const

inline

Definition at line 79 of file symmetry.hpp.

transpose()

static Rot gemmi::Op::transpose ( const Rot &  rot )

inlinestatic

Definition at line 85 of file symmetry.hpp.

transposed_rot()

Rot gemmi::Op::transposed_rot ( ) const

inline

Definition at line 90 of file symmetry.hpp.

det_rot()

int gemmi::Op::det_rot ( ) const

inline

Definition at line 93 of file symmetry.hpp.

rot_type()

int gemmi::Op::rot_type ( ) const

inline

Definition at line 100 of file symmetry.hpp.

combine()

Op gemmi::Op::combine ( const Op &  b ) const

inline

Definition at line 110 of file symmetry.hpp.

apply_to_xyz()

std::array< double, 3 > gemmi::Op::apply_to_xyz ( const std::array< double, 3 > &  xyz ) const

inline

Definition at line 128 of file symmetry.hpp.

apply_to_hkl_without_division()

Miller gemmi::Op::apply_to_hkl_without_division ( const Miller &  hkl ) const

inline

Definition at line 141 of file symmetry.hpp.

divide_hkl_by_DEN()

static Miller gemmi::Op::divide_hkl_by_DEN ( const Miller &  hkl )

inlinestatic

Definition at line 147 of file symmetry.hpp.

apply_to_hkl()

Miller gemmi::Op::apply_to_hkl ( const Miller &  hkl ) const

inline

Definition at line 150 of file symmetry.hpp.

phase_shift()

double gemmi::Op::phase_shift ( const Miller &  hkl ) const

inline

Definition at line 154 of file symmetry.hpp.

int_seitz()

std::array< std::array< int, 4 >, 4 > gemmi::Op::int_seitz ( ) const

inline

Definition at line 159 of file symmetry.hpp.

float_seitz()

std::array< std::array< double, 4 >, 4 > gemmi::Op::float_seitz ( ) const

inline

Definition at line 167 of file symmetry.hpp.

identity()

static constexpr Op gemmi::Op::identity ( )

inlinestaticconstexpr

Definition at line 176 of file symmetry.hpp.

inversion_rot()

static constexpr Op::Rot gemmi::Op::inversion_rot ( )

inlinestaticconstexpr

Definition at line 179 of file symmetry.hpp.

operator<()

bool gemmi::Op::operator< ( const Op &  rhs ) const

inline

Definition at line 182 of file symmetry.hpp.

Member Data Documentation

DEN

constexpr int gemmi::Op::DEN = 24

staticconstexpr

Definition at line 31 of file symmetry.hpp.

rot

Rot gemmi::Op::rot

Definition at line 35 of file symmetry.hpp.

tran

Tran gemmi::Op::tran

Definition at line 36 of file symmetry.hpp.

notation

char gemmi::Op::notation = ' '

Definition at line 37 of file symmetry.hpp.

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

• include/gemmi/symmetry.hpp