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Searched refs:grid_sam_ (Results 1 – 10 of 10) sorted by relevance

/dports/science/clipper/clipper-2.1/clipper/core/
H A Dfftmap.cpp98 grid_sam_ = grid_sam; in init()
106 grid_reci_ = Grid( grid_sam_.nu(), grid_sam_.nv(), grid_sam_.nw()/2+1 ); in init()
108 grid_half_ = Grid( grid_sam_.nu()/2, grid_sam_.nv()/2, grid_sam_.nw()/2 ); in init()
163 rfftw3d_create_plan( grid_sam_.nu(), grid_sam_.nv(), grid_sam_.nw(), in fft_h_to_x()
191 rfftw3d_create_plan( grid_sam_.nu(), grid_sam_.nv(), grid_sam_.nw(), in fft_x_to_h()
220 (grid_sam_.nu()-c.u())%grid_sam_.nu(), in get_hkl()
221 (grid_sam_.nv()-c.v())%grid_sam_.nv(), in get_hkl()
222 (grid_sam_.nw()-c.w())%grid_sam_.nw() ) ) ); in get_hkl()
232 c = Coord_grid( hkl ).unit( grid_sam_ ); in set_hkl()
252 grid_sam_.debug(); in debug()
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H A Dxmap.cpp176 grid_sam_ = grid_sam; in init()
194 rt_grid_orth = RTop<>( cell_.matrix_orth()*grid_sam_.matrix_grid_frac() ); in init()
201 { return ( spacegroup_.is_null() || cell_.is_null() || grid_sam_.is_null() ); } in is_null()
214 Coord_grid base = pos.unit(grid_sam_); in multiplicity()
216 if ( base.transform(isymop[sym]).unit(grid_sam_) == base ) mult++; in multiplicity()
H A Dxmap.h113 const Grid_sampling& grid_sampling() const { return grid_sam_; } in grid_sampling()
132 { return pos.unit( grid_sam_ ); } in to_map_unit()
319 Grid_sampling grid_sam_; //!< grid for the whole cell variable
521 I::interp( *this, pos.coord_map( grid_sam_ ), val ); in interp()
536 I::interp_grad( *this, pos.coord_map( grid_sam_ ), val, g ); in interp_grad()
537 grad = g.grad_frac( grid_sam_ ); in interp_grad()
554 I::interp_curv( *this, pos.coord_map( grid_sam_ ), val, g, c ); in interp_curv()
555 grad = g.grad_frac( grid_sam_ ); in interp_curv()
556 curv = c.curv_frac( grid_sam_ ); in interp_curv()
687 ix.coord().transform( isymop[sym] ).unit( grid_sam_ ) ) = f; in fft_to()
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H A Dfftmap.h97 const Grid_sampling& grid_real() const { return grid_sam_; } in grid_real()
137 Grid_sampling grid_sam_; //!< unit cell grid variable
/dports/science/clipper/clipper-2.1/clipper/cns/
H A Dcns_map_io.cpp181 { return grid_sam_; } in grid_sampling()
217 grid_sam_ = Grid_sampling(nx, ny, nz); in import_xmap()
232 xmap.init(spacegroup_, cell_, grid_sam_); in import_xmap()
346 grid_sam_ = Grid_sampling(nx, ny, nz); in import_nxmap()
361 nxmap.init(cell_, grid_sam_, grid_map_); in import_nxmap()
421 grid_sam_ = in export_nxmap()
425 Coord_grid g0 = c0.coord_grid(grid_sam_); in export_nxmap()
512 grid_sam_ = Grid_sampling(nx, ny, nz); in import_xmap_check_asu()
527 xmap.init(spacegroup_, cell_, grid_sam_); in import_xmap_check_asu()
H A Dcns_map_io.h108 Grid_sampling grid_sam_; //!< cell grid sampling variable
/dports/science/clipper/clipper-2.1/clipper/mtz/
H A Dmap_io.cpp73 grid_sam_ = Grid_sampling( grid[0], grid[1], grid[2] ); in open_read()
147 { return grid_sam_; } in grid_sampling()
173 if ( r.is_null() ) r = grid_sam_; in import_xmap()
291 nxmap.init( cell_, grid_sam_, grid_map_ ); in import_nxmap()
360 grid_sam_ = in export_nxmap()
364 Coord_grid g0 = c0.coord_grid(grid_sam_); in export_nxmap()
369 grid[i] = grid_sam_[i]; in export_nxmap()
H A Dmap_io.h68 Grid_sampling grid_sam_; //!< cell grid sampling variable
/dports/science/clipper/clipper-2.1/clipper/ccp4/
H A Dccp4_map_io.cpp116 grid_sam_ = Grid_sampling( grid[0], grid[1], grid[2] ); in open_read()
185 { return grid_sam_; } in grid_sampling()
211 if ( r.is_null() ) r = grid_sam_; in import_xmap()
342 nxmap.init( cell_, grid_sam_, grid_map_ ); in import_nxmap()
415 grid_sam_ = in export_nxmap()
419 Coord_grid g0 = c0.coord_grid(grid_sam_); in export_nxmap()
424 grid[i] = grid_sam_[i]; in export_nxmap()
496 if ( r.is_null() ) r = grid_sam_; in import_xmap_check_asu()
H A Dccp4_map_io.h107 Grid_sampling grid_sam_; //!< cell grid sampling variable