clipper::FFTmap_sparse_p1_hx Class Reference

FFTmap_sparse_p1_hx: low level sparse P1 map used for calculating FFTs. More...

#include <fftmap_sparse.h>

Inheritance diagram for clipper::FFTmap_sparse_p1_hx:

Public Member Functions
	FFTmap_sparse_p1_hx ()
	Null constuctor. More...
	FFTmap_sparse_p1_hx (const Grid_sampling &grid_sam, const FFTtype type=Default)
	Constructor: takes grid. More...
void	init (const Grid_sampling &grid_sam, const FFTtype type=Default)
const Grid_sampling &	grid_real () const
const Grid &	grid_reci () const
void	set_hkl (const HKL &hkl, const std::complex< ffttype > &f)
	set reciprocal space data by hkl More...
std::complex< ffttype > &	cplx_data (const Coord_grid &uvw)
	set reciprocal space data (internal use)
void	require_real_data (const Coord_grid &uvw)
	express need for real space data More...
const ffttype &	real_data (const Coord_grid &uvw) const
	get real space data ( uvw must be in grid_real() ) More...
void	fft_h_to_x (const ftype &scale)
	Transform to real space. More...
Public Member Functions inherited from clipper::FFTmap_sparse_p1_base
void	init (const Grid_sampling &grid_sam, const FFTtype type=Default)
	initialiser: takes grid More...
	~FFTmap_sparse_p1_base ()
	Destructor.
const Grid_sampling &	grid_real () const
	get real grid sampling
const Grid &	grid_reci () const
	get reciprocal grid

Additional Inherited Members
Public Types inherited from clipper::FFTmap_base
enum	FFTtype { Default, Measure, Estimate }
Static Public Member Functions inherited from clipper::FFTmap_sparse_p1_base
static FFTtype &	default_type ()
	set/get default optimisation type
Protected Member Functions inherited from clipper::FFTmap_sparse_p1_base
ffttype *	map_uv (const int &u, const int &v)
	return/create row
std::complex< ffttype > *	map_kl (const int &k, const int &l)
	return/create row
Protected Attributes inherited from clipper::FFTmap_sparse_p1_base
Grid_sampling	grid_real_
	real space grid
Grid	grid_reci_
	reciprocal space grid
FFTtype	type_
	optimisation options
Array2d< std::complex< ffttype > * >	row_kl
	section map
Array2d< ffttype * >	row_uv
	section map
Static Protected Attributes inherited from clipper::FFTmap_sparse_p1_base
static FFTtype	default_type_ = FFTmap_base::Estimate
	default optimisation options
Static Protected Attributes inherited from clipper::FFTmap_base
static Mutex	mutex = Mutex()
	Thread safety.

Detailed Description

FFTmap_sparse_p1_hx: low level sparse P1 map used for calculating FFTs.

This version computes sparse Hermititan...real FFTs.

By specifying what parts of the map are needed in advance, it is possible to perform highly optimised FFTs, including some of the benefits of symmetry.

Constructor & Destructor Documentation

clipper::FFTmap_sparse_p1_hx::FFTmap_sparse_p1_hx

(

)

Null constuctor.

For later initialisation: see init()

clipper::FFTmap_sparse_p1_hx::FFTmap_sparse_p1_hx	(	const Grid_sampling &	grid_sam,
		const FFTtype	type = Default
	)

Constructor: takes grid.

Construct an FFTmap_sparse_p1_hx for a given grid.

Parameters

grid_sam	The grid sampling of the unit cell.
type	Can be FFTmap_sparse_base::Measure, ::Estimate. Measure performs slow precalculation (first time only) to get faster FFT.

Member Function Documentation

void clipper::FFTmap_sparse_p1_hx::set_hkl	(	const HKL &	hkl,
		const std::complex< ffttype > &	f
	)

set reciprocal space data by hkl

Friedel opposites are handled correctly

Parameters

hkl	The HKL to set.
f	The complex value to set.

void clipper::FFTmap_sparse_p1_hx::require_real_data ( const Coord_grid &  uvw )

inline

express need for real space data

The given Coord_grid will be required in the final map. ( uvw must be in grid_sampling() )

Parameters

uvw	The coordinate to require.

const ffttype & clipper::FFTmap_sparse_p1_hx::real_data ( const Coord_grid &  uvw ) const

inline

get real space data ( uvw must be in grid_real() )

( uvw must be in grid_sampling(), and have been requested )

Parameters

uvw	The coordinate to get.

Returns

The real value at that coordinate.

void clipper::FFTmap_sparse_p1_hx::fft_h_to_x

(

const ftype &

scale

)

Transform to real space.

The 'require' functions must have been called first to mark the required data in the target space. (Source space requirements are inferred automatically).

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The documentation for this class was generated from the following files:

• fftmap_sparse.h
• fftmap_sparse.cpp