gemmi::GridMeta Struct Reference

The base of Grid classes that does not depend on stored data type. More...

#include <grid.hpp>

Inheritance diagram for gemmi::GridMeta:

Public Member Functions
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
UnitCell	unit_cell
const SpaceGroup *	spacegroup = nullptr
int	nu = 0
int	nv = 0
int	nw = 0
AxisOrder	axis_order = AxisOrder::Unknown

Detailed Description

The base of Grid classes that does not depend on stored data type.

Definition at line 161 of file grid.hpp.

Member Function Documentation

point_count()

size_t gemmi::GridMeta::point_count ( ) const

inline

Definition at line 167 of file grid.hpp.

get_fractional()

Fractional gemmi::GridMeta::get_fractional ( int  u, int  v, int  w  ) const

inline

u,v,w are not normalized here

Definition at line 169 of file grid.hpp.

get_position()

Position gemmi::GridMeta::get_position ( int  u, int  v, int  w  ) const

inline

Definition at line 172 of file grid.hpp.

get_scaled_ops_except_id()

std::vector< GridOp > gemmi::GridMeta::get_scaled_ops_except_id ( ) const

inline

Definition at line 177 of file grid.hpp.

index_q()

size_t gemmi::GridMeta::index_q ( int  u, int  v, int  w  ) const

inline

Quick(est) index function, but works only if 0 <= u < nu, etc.

Definition at line 203 of file grid.hpp.

index_n()

size_t gemmi::GridMeta::index_n ( int  u, int  v, int  w  ) const

inline

Faster than index_s(), but works only if -nu <= u < 2*nu, etc.

Definition at line 208 of file grid.hpp.

index_n_ref()

size_t gemmi::GridMeta::index_n_ref ( int &  u, int &  v, int &  w  ) const

inline

The same as index_n(), but modifies arguments.

Definition at line 211 of file grid.hpp.

index_near_zero()

size_t gemmi::GridMeta::index_near_zero ( int  u, int  v, int  w  ) const

inline

Faster than index_n(), but works only if -nu <= u < nu, etc.

Definition at line 219 of file grid.hpp.

Member Data Documentation

unit_cell

UnitCell gemmi::GridMeta::unit_cell

Definition at line 162 of file grid.hpp.

spacegroup

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

Definition at line 163 of file grid.hpp.

nu

int gemmi::GridMeta::nu = 0

Definition at line 164 of file grid.hpp.

nv

int gemmi::GridMeta::nv = 0

Definition at line 164 of file grid.hpp.

nw

int gemmi::GridMeta::nw = 0

Definition at line 164 of file grid.hpp.

axis_order

AxisOrder gemmi::GridMeta::axis_order = AxisOrder::Unknown

Definition at line 165 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