#include <recgrid.hpp>

Inheritance diagram for gemmi::ReciprocalGrid< T >:

Public Member Functions
bool	has_index (int u, int v, int w) const

void	check_index (int u, int v, int w) const

size_t	index_n (int u, int v, int w) const

size_t	index_checked (int u, int v, int w) const

T	get_value (int u, int v, int w) const

T	get_value_or_zero (int u, int v, int w) const

void	set_value (int u, int v, int w, T x)

Miller	to_hkl (const typename GridBase< T >::Point &point) const

double	calculate_1_d2 (const typename GridBase< T >::Point &point) const

double	calculate_d (const typename GridBase< T >::Point &point) const

T	get_value_by_hkl (Miller hkl, double unblur=0, bool mott_bethe=false) const

template<typename R = T>
AsuData< R >	prepare_asu_data (double dmin=0, double unblur=0, bool with_000=false, bool with_sys_abs=false, bool mott_bethe=false)

Public Member Functions inherited from gemmi::GridBase< T >
void	check_not_empty () const

void	set_size_without_checking (int nu_, int nv_, int nw_)

T	get_value_q (int u, int v, int w) const

size_t	point_to_index (const Point &p) const

Point	index_to_point (size_t idx)

void	fill (T value)

Tsum	sum () const

iterator	begin ()

iterator	end ()

Public Member Functions inherited from gemmi::GridMeta
size_t	point_count () const

Fractional	get_fractional (int u, int v, int w) const
	u,v,w are not normalized here

Position	get_position (int u, int v, int w) const

std::vector< GridOp >	get_scaled_ops_except_id () const

size_t	index_q (int u, int v, int w) const
	Quick(est) index function, but works only if `0 <= u < nu`, etc.

size_t	index_n (int u, int v, int w) const
	Faster than index_s(), but works only if `-nu <= u < 2*nu`, etc.

size_t	index_n_ref (int &u, int &v, int &w) const
	The same as index_n(), but modifies arguments.

size_t	index_near_zero (int u, int v, int w) const
	Faster than index_n(), but works only if -nu <= u < nu, etc.

Public Attributes
bool	half_l = false

Public Attributes inherited from gemmi::GridBase< T >
std::vector< T >	data

Public Attributes inherited from gemmi::GridMeta
UnitCell	unit_cell

const SpaceGroup *	spacegroup = nullptr

int	nu = 0

int	nv = 0

int	nw = 0

AxisOrder	axis_order = AxisOrder::Unknown

Additional Inherited Members
Public Types inherited from gemmi::GridBase< T >
using	Tsum = typename std::conditional< std::is_integral< T >::value, std::ptrdiff_t, T >::type

Detailed Description

template<typename T>
struct gemmi::ReciprocalGrid< T >

Definition at line 23 of file recgrid.hpp.

Member Function Documentation

◆ has_index()

template<typename T >

bool gemmi::ReciprocalGrid< T >::has_index	(	int	u,
		int	v,
		int	w
	)		const

inline

Definition at line 25 of file recgrid.hpp.

◆ check_index()

template<typename T >

void gemmi::ReciprocalGrid< T >::check_index	(	int	u,
		int	v,
		int	w
	)		const

inline

Definition at line 32 of file recgrid.hpp.

◆ index_n()

template<typename T >

size_t gemmi::ReciprocalGrid< T >::index_n	(	int	u,
		int	v,
		int	w
	)		const

inline

Definition at line 37 of file recgrid.hpp.

◆ index_checked()

template<typename T >

size_t gemmi::ReciprocalGrid< T >::index_checked	(	int	u,
		int	v,
		int	w
	)		const

inline

Definition at line 42 of file recgrid.hpp.

◆ get_value()

template<typename T >

T gemmi::ReciprocalGrid< T >::get_value	(	int	u,
		int	v,
		int	w
	)		const

inline

Definition at line 46 of file recgrid.hpp.

◆ get_value_or_zero()

template<typename T >

T gemmi::ReciprocalGrid< T >::get_value_or_zero	(	int	u,
		int	v,
		int	w
	)		const

inline

Definition at line 49 of file recgrid.hpp.

◆ set_value()

template<typename T >

void gemmi::ReciprocalGrid< T >::set_value	(	int	u,
		int	v,
		int	w,
		T	x
	)

inline

Definition at line 52 of file recgrid.hpp.

◆ to_hkl()

template<typename T >

Miller gemmi::ReciprocalGrid< T >::to_hkl ( const typename GridBase< T >::Point & point ) const

inline

Definition at line 55 of file recgrid.hpp.

◆ calculate_1_d2()

template<typename T >

double gemmi::ReciprocalGrid< T >::calculate_1_d2 ( const typename GridBase< T >::Point & point ) const

inline

Definition at line 70 of file recgrid.hpp.

◆ calculate_d()

template<typename T >

double gemmi::ReciprocalGrid< T >::calculate_d ( const typename GridBase< T >::Point & point ) const

inline

Definition at line 73 of file recgrid.hpp.

◆ get_value_by_hkl()

template<typename T >

T gemmi::ReciprocalGrid< T >::get_value_by_hkl	(	Miller	hkl,
		double	unblur = `0`,
		bool	mott_bethe = `false`
	)		const

inline

Definition at line 77 of file recgrid.hpp.

◆ prepare_asu_data()

template<typename T >

template<typename R = T>

AsuData< R > gemmi::ReciprocalGrid< T >::prepare_asu_data	(	double	dmin = `0`,
		double	unblur = `0`,
		bool	with_000 = `false`,
		bool	with_sys_abs = `false`,
		bool	mott_bethe = `false`
	)

inline

Definition at line 103 of file recgrid.hpp.

Member Data Documentation

◆ half_l

template<typename T >

bool gemmi::ReciprocalGrid< T >::half_l = false

Definition at line 24 of file recgrid.hpp.

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

/home/wojdyr/gemmi/gemmi/include/gemmi/recgrid.hpp

Public Member Functions

Public Attributes

Additional Inherited Members

Detailed Description

Member Function Documentation

◆ has_index()

◆ check_index()

◆ index_n()

◆ index_checked()

◆ get_value()

◆ get_value_or_zero()

◆ set_value()

◆ to_hkl()

◆ calculate_1_d2()

◆ calculate_d()

◆ get_value_by_hkl()

◆ prepare_asu_data()

Member Data Documentation

◆ half_l