gemmi::GridBase< T > Struct Template Reference

A common subset of Grid and ReciprocalGrid. More...

#include <grid.hpp>

Inheritance diagram for gemmi::GridBase< T >:

Classes
struct	iterator
struct	Point
	grid coordinates (modulo size) and a pointer to value More...

Public Types
using	Tsum = typename std::conditional< std::is_integral< T >::value, std::ptrdiff_t, T >::type

Public Member Functions
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
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

Detailed Description

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

A common subset of Grid and ReciprocalGrid.

Definition at line 228 of file grid.hpp.

Member Typedef Documentation

Tsum

template<typename T >

using gemmi::GridBase< T >::Tsum = typename std::conditional<std::is_integral<T>::value, std::ptrdiff_t, T>::type

Definition at line 266 of file grid.hpp.

Member Function Documentation

check_not_empty()

template<typename T >

void gemmi::GridBase< T >::check_not_empty ( ) const

inline

Definition at line 237 of file grid.hpp.

set_size_without_checking()

template<typename T >

void gemmi::GridBase< T >::set_size_without_checking ( int  nu_, int  nv_, int  nw_  )

inline

Definition at line 242 of file grid.hpp.

get_value_q()

template<typename T >

T gemmi::GridBase< T >::get_value_q ( int  u, int  v, int  w  ) const

inline

Definition at line 247 of file grid.hpp.

point_to_index()

template<typename T >

size_t gemmi::GridBase< T >::point_to_index ( const Point &  p ) const

inline

Definition at line 249 of file grid.hpp.

index_to_point()

template<typename T >

Point gemmi::GridBase< T >::index_to_point ( size_t  idx )

inline

Definition at line 251 of file grid.hpp.

fill()

template<typename T >

void gemmi::GridBase< T >::fill ( T  value )

inline

Definition at line 261 of file grid.hpp.

sum()

template<typename T >

Tsum gemmi::GridBase< T >::sum ( ) const

inline

Definition at line 268 of file grid.hpp.

begin()

template<typename T >

iterator gemmi::GridBase< T >::begin ( )

inline

Definition at line 294 of file grid.hpp.

end()

template<typename T >

iterator gemmi::GridBase< T >::end ( )

inline

Definition at line 295 of file grid.hpp.

Member Data Documentation

data

template<typename T >

std::vector<T> gemmi::GridBase< T >::data

Definition at line 235 of file grid.hpp.

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

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