Clipper
fftmap_sparse.h
1
4//C Copyright (C) 2000-2006 Kevin Cowtan and University of York
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43
44
45#ifndef CLIPPER_FFTMAP_SPARSE
46#define CLIPPER_FFTMAP_SPARSE
47
48
49#include "fftmap.h"
50
51
52namespace clipper
53{
54
57 public:
59 void init( const Grid_sampling& grid_sam, const FFTtype type = Default );
63 const Grid_sampling& grid_real() const { return grid_real_; }
65 const Grid& grid_reci() const { return grid_reci_; }
66
68 static FFTtype& default_type() { return default_type_; }
69 protected:
71 ffttype* map_uv( const int& u, const int& v );
73 std::complex<ffttype>* map_kl( const int& k, const int& l );
74
77 FFTtype type_;
78
81
82 static FFTtype default_type_;
83 };
84
86
92 {
93 public:
97 FFTmap_sparse_p1_hx( const Grid_sampling& grid_sam, const FFTtype type = Default );
98 //-- void init( const Grid_sampling& grid_sam, const FFTtype type = Default );
99 //-- const Grid_sampling& grid_real() const;
100 //-- const Grid& grid_reci() const;
101
103 void set_hkl( const HKL& hkl, const std::complex<ffttype>& f );
105 std::complex<ffttype>& cplx_data( const Coord_grid& uvw )
106 { return map_kl( uvw.v(), uvw.w() )[ uvw.u() ]; }
108 void require_real_data( const Coord_grid& uvw )
109 { map_uv( uvw.u(), uvw.v() ); }
111 const ffttype& real_data( const Coord_grid& uvw ) const
112 { return row_uv( uvw.u(), uvw.v() )[ uvw.w() ]; }
113
115 void fft_h_to_x( const ftype& scale );
116 };
117
119
125 {
126 public:
130 FFTmap_sparse_p1_xh( const Grid_sampling& grid_sam, const FFTtype type = Default );
131 //-- void init( const Grid_sampling& grid_sam, const FFTtype type = Default );
132 //-- const Grid_sampling& grid_real() const;
133 //-- const Grid& grid_reci() const;
134
136 ffttype& real_data( const Coord_grid& uvw )
137 { return map_uv( uvw.u(), uvw.v() )[ uvw.w() ]; }
139 void require_hkl( const HKL& hkl );
141 const std::complex<ffttype> get_hkl( const HKL& hkl ) const;
143 void require_cplx_data( const Coord_grid& hkl )
144 { map_kl( hkl.v(), hkl.w() ); }
146 const std::complex<ffttype>& cplx_data( const Coord_grid& hkl ) const
147 { return row_kl( hkl.v(), hkl.w() )[ hkl.u() ]; }
148
150 void fft_x_to_h( const ftype& scale );
151 };
152
153
154} // namespace clipper
155
156#endif
Simple 2-d array class.
Definition: clipper_types.h:365
Grid coordinate.
Definition: coords.h:237
const int & v() const
get v
Definition: coords.h:249
const int & w() const
get w
Definition: coords.h:250
const int & u() const
get u
Definition: coords.h:248
Definition: fftmap.h:65
base type for sparse P1 fft maps
Definition: fftmap_sparse.h:56
Grid grid_reci_
reciprocal space grid
Definition: fftmap_sparse.h:76
static FFTtype default_type_
default optimisation options
Definition: fftmap_sparse.h:82
std::complex< ffttype > * map_kl(const int &k, const int &l)
return/create row
Definition: fftmap_sparse.cpp:107
ffttype * map_uv(const int &u, const int &v)
return/create row
Definition: fftmap_sparse.cpp:95
Grid_sampling grid_real_
real space grid
Definition: fftmap_sparse.h:75
const Grid & grid_reci() const
get reciprocal grid
Definition: fftmap_sparse.h:65
void init(const Grid_sampling &grid_sam, const FFTtype type=Default)
initialiser: takes grid
Definition: fftmap_sparse.cpp:68
Array2d< std::complex< ffttype > * > row_kl
section map
Definition: fftmap_sparse.h:79
~FFTmap_sparse_p1_base()
Destructor.
Definition: fftmap_sparse.cpp:84
FFTtype type_
optimisation options
Definition: fftmap_sparse.h:77
const Grid_sampling & grid_real() const
get real grid sampling
Definition: fftmap_sparse.h:63
Array2d< ffttype * > row_uv
section map
Definition: fftmap_sparse.h:80
static FFTtype & default_type()
set/get default optimisation type
Definition: fftmap_sparse.h:68
FFTmap_sparse_p1_hx: low level sparse P1 map used for calculating FFTs.
Definition: fftmap_sparse.h:92
void set_hkl(const HKL &hkl, const std::complex< ffttype > &f)
set reciprocal space data by hkl
Definition: fftmap_sparse.cpp:143
void fft_h_to_x(const ftype &scale)
Transform to real space.
Definition: fftmap_sparse.cpp:157
void require_real_data(const Coord_grid &uvw)
express need for real space data
Definition: fftmap_sparse.h:108
const ffttype & real_data(const Coord_grid &uvw) const
get real space data ( uvw must be in grid_real() )
Definition: fftmap_sparse.h:111
FFTmap_sparse_p1_hx()
Null constuctor.
Definition: fftmap_sparse.cpp:120
std::complex< ffttype > & cplx_data(const Coord_grid &uvw)
set reciprocal space data (internal use)
Definition: fftmap_sparse.h:105
FFTmap_sparse_p1_xh: low level sparse P1 map used for calculating FFTs.
Definition: fftmap_sparse.h:125
void require_hkl(const HKL &hkl)
express need for reciprocal space data by hkl
Definition: fftmap_sparse.cpp:255
void fft_x_to_h(const ftype &scale)
Transform to real space.
Definition: fftmap_sparse.cpp:294
FFTmap_sparse_p1_xh()
Null constuctor.
Definition: fftmap_sparse.cpp:243
ffttype & real_data(const Coord_grid &uvw)
set real space data ( uvw must be in grid_real() )
Definition: fftmap_sparse.h:136
const std::complex< ffttype > get_hkl(const HKL &hkl) const
get reciprocal space data by hkl
Definition: fftmap_sparse.cpp:267
void require_cplx_data(const Coord_grid &hkl)
express need for reciprocal space data (internal use)
Definition: fftmap_sparse.h:143
const std::complex< ffttype > & cplx_data(const Coord_grid &hkl) const
get reciprocal space data (internal use)
Definition: fftmap_sparse.h:146
Grid sampling of a unit cell.
Definition: coords.h:516
generic grid
Definition: coords.h:480
reflection 'Miller' index
Definition: coords.h:146
ftype64 ftype
ftype definition for floating point representation
Definition: clipper_precision.h:58