gemmi::ReflnBlock Struct Reference

#include <refln.hpp>

Public Member Functions
	ReflnBlock ()=default
	ReflnBlock (ReflnBlock &&rblock_)=default
	ReflnBlock (cif::Block &&block_)
ReflnBlock &	operator= (ReflnBlock &&)=default
ReflnBlock &	operator= (const ReflnBlock &o)
bool	ok () const
void	check_ok () const
size_t	tag_offset () const
void	use_unmerged (bool unmerged)
bool	is_unmerged () const
std::vector< std::string >	column_labels () const
int	find_column_index (const std::string &tag) const
size_t	get_column_index (const std::string &tag) const
template<typename T >
std::vector< T >	make_vector (const std::string &tag, T null) const
std::array< size_t, 3 >	get_hkl_column_indices () const
std::vector< Miller >	make_miller_vector () const
std::vector< double >	make_1_d2_vector () const
std::vector< double >	make_d_vector () const

Public Attributes
cif::Block	block
std::string	entry_id
UnitCell	cell
const SpaceGroup *	spacegroup = nullptr
double	wavelength
int	wavelength_count
cif::Loop *	refln_loop = nullptr
cif::Loop *	diffrn_refln_loop = nullptr
cif::Loop *	default_loop = nullptr

Detailed Description

Definition at line 20 of file refln.hpp.

Constructor & Destructor Documentation

ReflnBlock() [1/3]

gemmi::ReflnBlock::ReflnBlock ( )

default

ReflnBlock() [2/3]

gemmi::ReflnBlock::ReflnBlock ( ReflnBlock &&  rblock_ )

default

ReflnBlock() [3/3]

gemmi::ReflnBlock::ReflnBlock ( cif::Block &&  block_ )

inline

Definition at line 33 of file refln.hpp.

Member Function Documentation

operator=() [1/2]

ReflnBlock & gemmi::ReflnBlock::operator= ( ReflnBlock &&  )

default

operator=() [2/2]

ReflnBlock & gemmi::ReflnBlock::operator= ( const ReflnBlock &  o )

inline

Definition at line 49 of file refln.hpp.

ok()

bool gemmi::ReflnBlock::ok ( ) const

inline

Definition at line 64 of file refln.hpp.

check_ok()

void gemmi::ReflnBlock::check_ok ( ) const

inline

Definition at line 65 of file refln.hpp.

tag_offset()

size_t gemmi::ReflnBlock::tag_offset ( ) const

inline

Definition at line 68 of file refln.hpp.

use_unmerged()

void gemmi::ReflnBlock::use_unmerged ( bool  unmerged )

inline

Definition at line 70 of file refln.hpp.

is_unmerged()

bool gemmi::ReflnBlock::is_unmerged ( ) const

inline

Definition at line 73 of file refln.hpp.

column_labels()

std::vector< std::string > gemmi::ReflnBlock::column_labels ( ) const

inline

Definition at line 75 of file refln.hpp.

find_column_index()

int gemmi::ReflnBlock::find_column_index ( const std::string &  tag ) const

inline

Definition at line 83 of file refln.hpp.

get_column_index()

size_t gemmi::ReflnBlock::get_column_index ( const std::string &  tag ) const

inline

Definition at line 93 of file refln.hpp.

make_vector()

template<typename T >

std::vector< T > gemmi::ReflnBlock::make_vector ( const std::string &  tag, T  null  ) const

inline

Definition at line 101 of file refln.hpp.

get_hkl_column_indices()

std::array< size_t, 3 > gemmi::ReflnBlock::get_hkl_column_indices ( ) const

inline

Definition at line 109 of file refln.hpp.

make_miller_vector()

std::vector< Miller > gemmi::ReflnBlock::make_miller_vector ( ) const

inline

Definition at line 115 of file refln.hpp.

make_1_d2_vector()

std::vector< double > gemmi::ReflnBlock::make_1_d2_vector ( ) const

inline

Definition at line 124 of file refln.hpp.

make_d_vector()

std::vector< double > gemmi::ReflnBlock::make_d_vector ( ) const

inline

Definition at line 138 of file refln.hpp.

Member Data Documentation

block

cif::Block gemmi::ReflnBlock::block

Definition at line 21 of file refln.hpp.

entry_id

std::string gemmi::ReflnBlock::entry_id

Definition at line 22 of file refln.hpp.

cell

UnitCell gemmi::ReflnBlock::cell

Definition at line 23 of file refln.hpp.

spacegroup

const SpaceGroup* gemmi::ReflnBlock::spacegroup = nullptr

Definition at line 24 of file refln.hpp.

wavelength

double gemmi::ReflnBlock::wavelength

Definition at line 25 of file refln.hpp.

wavelength_count

int gemmi::ReflnBlock::wavelength_count

Definition at line 26 of file refln.hpp.

refln_loop

cif::Loop* gemmi::ReflnBlock::refln_loop = nullptr

Definition at line 27 of file refln.hpp.

diffrn_refln_loop

cif::Loop* gemmi::ReflnBlock::diffrn_refln_loop = nullptr

Definition at line 28 of file refln.hpp.

default_loop

cif::Loop* gemmi::ReflnBlock::default_loop = nullptr

Definition at line 29 of file refln.hpp.

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

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