Searched refs:grid_sam_ (Results 1 – 10 of 10) sorted by relevance
/dports/science/clipper/clipper-2.1/clipper/core/ |
H A D | fftmap.cpp | 98 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() [all …]
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H A D | xmap.cpp | 176 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()
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H A D | xmap.h | 113 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() [all …]
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H A D | fftmap.h | 97 const Grid_sampling& grid_real() const { return grid_sam_; } in grid_real() 137 Grid_sampling grid_sam_; //!< unit cell grid variable
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/dports/science/clipper/clipper-2.1/clipper/cns/ |
H A D | cns_map_io.cpp | 181 { 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()
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H A D | cns_map_io.h | 108 Grid_sampling grid_sam_; //!< cell grid sampling variable
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/dports/science/clipper/clipper-2.1/clipper/mtz/ |
H A D | map_io.cpp | 73 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()
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H A D | map_io.h | 68 Grid_sampling grid_sam_; //!< cell grid sampling variable
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/dports/science/clipper/clipper-2.1/clipper/ccp4/ |
H A D | ccp4_map_io.cpp | 116 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()
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H A D | ccp4_map_io.h | 107 Grid_sampling grid_sam_; //!< cell grid sampling variable
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