gemmi::ReciprocalAsu Struct Reference

#include <symmetry.hpp>

Public Member Functions
	ReciprocalAsu (const SpaceGroup *sg, bool tnt=false)
bool	is_in (const Op::Miller &hkl) const
bool	is_in_reference_setting (int h, int k, int l) const
const char *	condition_str () const
std::pair< Op::Miller, int >	to_asu (const Op::Miller &hkl, const std::vector< Op > &sym_ops) const
	Returns hkl in asu and MTZ ISYM - 2*n-1 for reflections in the positive asu (I+ of a Friedel pair), 2*n for reflections in the negative asu (I-).
std::pair< Op::Miller, int >	to_asu (const Op::Miller &hkl, const GroupOps &gops) const
std::pair< Op::Miller, bool >	to_asu_sign (const Op::Miller &hkl, const GroupOps &gops) const
	Similar to to_asu(), but the second returned value is sign: true for + or centric.

Public Attributes
int	idx
Op::Rot	rot {}
bool	is_ref

Detailed Description

Definition at line 908 of file symmetry.hpp.

Constructor & Destructor Documentation

ReciprocalAsu()

gemmi::ReciprocalAsu::ReciprocalAsu ( const SpaceGroup *  sg, bool  tnt = false  )

inline

Definition at line 913 of file symmetry.hpp.

Member Function Documentation

is_in()

bool gemmi::ReciprocalAsu::is_in ( const Op::Miller &  hkl ) const

inline

Definition at line 927 of file symmetry.hpp.

is_in_reference_setting()

bool gemmi::ReciprocalAsu::is_in_reference_setting ( int  h, int  k, int  l  ) const

inline

Definition at line 936 of file symmetry.hpp.

condition_str()

const char * gemmi::ReciprocalAsu::condition_str ( ) const

inline

Definition at line 963 of file symmetry.hpp.

to_asu() [1/2]

std::pair< Op::Miller, int > gemmi::ReciprocalAsu::to_asu ( const Op::Miller &  hkl, const std::vector< Op > &  sym_ops  ) const

inline

Returns hkl in asu and MTZ ISYM - 2*n-1 for reflections in the positive asu (I+ of a Friedel pair), 2*n for reflections in the negative asu (I-).

Definition at line 991 of file symmetry.hpp.

to_asu() [2/2]

std::pair< Op::Miller, int > gemmi::ReciprocalAsu::to_asu ( const Op::Miller &  hkl, const GroupOps &  gops  ) const

inline

Definition at line 1006 of file symmetry.hpp.

to_asu_sign()

std::pair< Op::Miller, bool > gemmi::ReciprocalAsu::to_asu_sign ( const Op::Miller &  hkl, const GroupOps &  gops  ) const

inline

Similar to to_asu(), but the second returned value is sign: true for + or centric.

Definition at line 1011 of file symmetry.hpp.

Member Data Documentation

idx

int gemmi::ReciprocalAsu::idx

Definition at line 909 of file symmetry.hpp.

rot

Op::Rot gemmi::ReciprocalAsu::rot {}

Definition at line 910 of file symmetry.hpp.

is_ref

bool gemmi::ReciprocalAsu::is_ref

Definition at line 911 of file symmetry.hpp.

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

• include/gemmi/symmetry.hpp