/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/input_dft/ |
H A D | grid_inp.F | 133 300 gridtype='gausleg' 138 if (.not. rtdb_cput(rtdb, 'dft:gridtype', 1, gridtype)) 159 400 gridtype='lebedev' 162 if (.not. rtdb_cput(rtdb, 'dft:gridtype', 1, gridtype)) 179 500 gridtype='xcoarse' 187 600 gridtype='coarse' 195 700 gridtype='medium' 203 800 gridtype='fine' 211 900 gridtype='xfine' 220 1111 gridtype='huge' [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/input_dft/ |
H A D | grid_inp.F | 133 300 gridtype='gausleg' 138 if (.not. rtdb_cput(rtdb, 'dft:gridtype', 1, gridtype)) 159 400 gridtype='lebedev' 162 if (.not. rtdb_cput(rtdb, 'dft:gridtype', 1, gridtype)) 179 500 gridtype='xcoarse' 187 600 gridtype='coarse' 195 700 gridtype='medium' 203 800 gridtype='fine' 211 900 gridtype='xfine' 220 1111 gridtype='huge' [all …]
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/dports/science/xcrysden/xcrysden-1.6.2/C/ |
H A D | datagrid.c | 106 grid->type = gridtype; in NewGridList() 170 if ( gridtype == DATAGRID_2D ) { in ReadDataGrid() 174 else if ( gridtype == DATAGRID_3D ) { in ReadDataGrid() 182 for (i=0; i<gridtype; i++) in ReadDataGrid() 201 if ( gridtype == DATAGRID_2D) { in ReadDataGrid() 256 if ( gridtype == DATAGRID_2D ) { in ReadBandGrid() 260 else if ( gridtype == DATAGRID_3D ) { in ReadBandGrid() 267 for (i=0; i<gridtype; i++) in ReadBandGrid() 298 if ( gridtype == DATAGRID_2D) { in ReadBandGrid() 340 if (gridtype == DATAGRID_2D) { in WriteDataGrid() [all …]
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/dports/science/cdo/cdo-2.0.0/src/ |
H A D | Invert.cc | 32 const auto gridtype = gridInqType(gridID1); in invertLonDes() local 34 …if (!(gridtype == GRID_GENERIC || gridtype == GRID_GAUSSIAN || gridtype == GRID_PROJECTION || grid… in invertLonDes() 35 || gridtype == GRID_CURVILINEAR)) in invertLonDes() 48 if (gridtype == GRID_CURVILINEAR) in invertLonDes() 72 if (gridtype == GRID_CURVILINEAR) in invertLonDes() 98 const auto gridtype = gridInqType(gridID); in invertLatCoord() local 108 if (gridtype == GRID_CURVILINEAR) in invertLatCoord() 145 if (gridtype == GRID_CURVILINEAR) in invertLatCoord() 174 const auto gridtype = gridInqType(gridID1); in invertLatDes() local 176 …if (!(gridtype == GRID_GENERIC || gridtype == GRID_GAUSSIAN || gridtype == GRID_PROJECTION || grid… in invertLatDes() [all …]
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H A D | Arithlat.cc | 77 const auto gridtype = gridInqType(gridID); in Arithlat() local 78 const auto projtype = (gridtype == GRID_PROJECTION) ? gridInqProjType(gridID) : -1; in Arithlat() 79 if (gridtype == GRID_LONLAT || gridtype == GRID_GAUSSIAN || projtype == CDI_PROJ_LCC) in Arithlat() 83 else if (gridtype == GRID_CURVILINEAR || gridtype == GRID_UNSTRUCTURED) in Arithlat() 87 else if (gridtype == GRID_GME) in Arithlat() 93 if (gridtype == GRID_GAUSSIAN_REDUCED) in Arithlat() 95 gridNamePtr(gridtype)); in Arithlat() 97 cdo_abort("Unsupported grid type: %s", gridNamePtr(gridtype)); in Arithlat()
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H A D | Gridcell.cc | 59 const auto gridtype = gridInqType(gridID); in grid_cell_area() local 61 …if (gridProjIsSupported(gridID) || gridtype == GRID_LONLAT || gridtype == GRID_GAUSSIAN || gridtyp… in grid_cell_area() 62 …|| gridtype == GRID_CURVILINEAR || gridtype == GRID_UNSTRUCTURED || gridtype == GRID_GAUSSIAN_REDU… in grid_cell_area() 85 if (gridtype == GRID_GAUSSIAN_REDUCED) in grid_cell_area() 86 …rted grid type: %s, use CDO option -R to convert reduced to regular grid!", gridNamePtr(gridtype)); in grid_cell_area() 88 cdo_abort("%s: Unsupported grid type: %s", __func__, gridNamePtr(gridtype)); in grid_cell_area() 198 const auto gridtype = gridInqType(gridID); in Gridcell() local 199 …if (gridProjIsSupported(gridID) || gridtype == GRID_LONLAT || gridtype == GRID_GAUSSIAN || gridtyp… in Gridcell() 201 if (gridtype != GRID_CURVILINEAR) gridID = gridToCurvilinear(gridID, 1); in Gridcell() 272 if (gridtype == GRID_GAUSSIAN_REDUCED) in Gridcell() [all …]
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H A D | Intgrid.cc | 40 const auto gridtype = gridInqType(gridID1); in genThinoutGrid() local 41 if (gridtype == GRID_GAUSSIAN || gridtype == GRID_LONLAT) in genThinoutGrid() 59 cdo_abort("Unsupported grid: %s", gridNamePtr(gridtype)); in genThinoutGrid() 83 const auto gridtype = gridInqType(gridID1); in genBoxavgGrid() local 84 if (gridtype == GRID_GAUSSIAN || gridtype == GRID_LONLAT) in genBoxavgGrid() 142 cdo_abort("Unsupported grid: %s", gridNamePtr(gridtype)); in genBoxavgGrid() 279 const auto gridtype = gridInqType(gridID1); in Intgrid() local 285 … if (gridtype != GRID_LONLAT && gridtype != GRID_GAUSSIAN /* && gridtype != GRID_CURVILINEAR */) in Intgrid() 296 if (!ldistgen && gridtype != GRID_LONLAT && gridtype != GRID_GAUSSIAN) in Intgrid() 302 …if (!gridProjIsSupported(gridID1) && !lprojparams && gridtype != GRID_LONLAT && gridtype != GRID_G… in Intgrid() [all …]
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H A D | Distgrid.cc | 22 int gridtype; member 42 const auto gridtype = gridInfo1.gridtype; in gen_dist_grids() local 44 const auto lunstructured = (gridtype == GRID_UNSTRUCTURED); in gen_dist_grids() 45 const auto lcurvilinear = (gridtype == GRID_CURVILINEAR); in gen_dist_grids() 47 …= (gridtype == GRID_LONLAT || gridtype == GRID_GAUSSIAN || gridtype == GRID_GENERIC || gridtype ==… in gen_dist_grids() 146 if (gridtype != GRID_UNSTRUCTURED) in gen_dist_grids() 257 int gridtype = -1; in Distgrid() local 283 gridInfo1[index].gridtype = gridInqType(gridID); in Distgrid() 295 gridtype = gridInqType(gridID1); in Distgrid() 296 …if (gridtype == GRID_LONLAT || gridtype == GRID_GAUSSIAN || gridtype == GRID_CURVILINEAR || gridty… in Distgrid() [all …]
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H A D | printinfo.cc | 158 … if (IS_NOT_EQUAL(yinc, 0) && gridtype != GRID_GAUSSIAN && gridtype != GRID_GAUSSIAN_REDUCED) in print_yvals() 192 if (gridtype == GRID_CURVILINEAR) in print_xyvals2D() 260 if (gridtype == GRID_GAUSSIAN_REDUCED) in printGridNumPoints() 299 …if (gridtype == GRID_LONLAT || gridtype == GRID_PROJECTION || gridtype == GRID_GENERIC || gridtype… in printGridInfoKernel() 300 || gridtype == GRID_GAUSSIAN || gridtype == GRID_GAUSSIAN_REDUCED) in printGridInfoKernel() 340 else if (gridtype == GRID_SPECTRAL) in printGridInfoKernel() 348 else if (gridtype == GRID_FOURIER) in printGridInfoKernel() 354 else if (gridtype == GRID_GME) in printGridInfoKernel() 362 else if (gridtype == GRID_CURVILINEAR || gridtype == GRID_UNSTRUCTURED) in printGridInfoKernel() 365 if (gridtype == GRID_CURVILINEAR) in printGridInfoKernel() [all …]
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H A D | grid_define.cc | 62 int gridtype = gridInqType(gridID_u_stag); in cdo_define_destagered_grid() local 115 grid_gen_yvals(gridtype, ysize, yfirst, ylast, yinc, yvals.data()); in cdo_define_destagered_grid() 190 int gridtype = gridInqType(gridSrcID); in cdo_define_sample_grid() local 191 …if (!(gridtype == GRID_GAUSSIAN || gridtype == GRID_LONLAT || gridtype == GRID_PROJECTION || gridt… in cdo_define_sample_grid() 192 || gridtype == GRID_GENERIC)) in cdo_define_sample_grid() 193 cdo_abort("Unsupported gridtype: %s", gridNamePtr(gridtype)); in cdo_define_sample_grid() 208 int gridID_sampled = gridCreate(gridtype, xsize * ysize); in cdo_define_sample_grid() 220 if (gridtype == GRID_PROJECTION) grid_copy_mapping(gridSrcID, gridID_sampled); in cdo_define_sample_grid() 224 if (gridtype == GRID_CURVILINEAR) in cdo_define_sample_grid() 337 auto gridtype = gridInqType(gridSrcID); in cdo_define_subgrid_grid() local [all …]
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H A D | Setgrid.cc | 72 if (gridtype == GRID_CURVILINEAR) in setGridtype() 76 else if (gridtype == GRID_UNSTRUCTURED) in setGridtype() 87 else if (gridtype == GRID_LONLAT && gridtype1 == GRID_CURVILINEAR) in setGridtype() 97 else if (gridtype == GRID_LONLAT && gridtype1 == GRID_GENERIC) in setGridtype() 102 else if (gridtype == GRID_LONLAT && gridtype1 == GRID_LONLAT) in setGridtype() 106 else if (gridtype == GRID_PROJECTION) in setGridtype() 272 int gridtype = -1; in Setgrid() local 318 else if (gridname == "generic") gridtype = GRID_GENERIC; in Setgrid() 320 else if (gridname == "lonlat") gridtype = GRID_LONLAT; in Setgrid() 321 else if (gridname == "gaussian") gridtype = GRID_GAUSSIAN; in Setgrid() [all …]
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H A D | Zonstat.cc | 84 const auto gridtype = gridInqType(gridID2); in Zonstat() local 85 …if (gridtype != GRID_GAUSSIAN && gridtype != GRID_LONLAT) cdo_abort("Target grid type must be Gaus… in Zonstat() 109 const auto gridtype = gridInqType(gridID); in Zonstat() local 110 if (xsize > 1 || gridtype == GRID_GAUSSIAN_REDUCED) in Zonstat() 131 const auto gridtype = gridInqType(gridID1); in Zonstat() local 134 …if (gridtype == GRID_LONLAT || gridtype == GRID_GAUSSIAN || gridtype == GRID_GAUSSIAN_REDUCED || g… in Zonstat() 140 cdo_abort("Unsupported gridtype: %s", gridNamePtr(gridtype)); in Zonstat()
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H A D | grid_area.cc | 394 auto gridtype = gridInqType(gridID); in gridGenAreaUnstruct() local 396 if (gridtype != GRID_UNSTRUCTURED && gridtype != GRID_CURVILINEAR) in gridGenAreaUnstruct() 398 if (gridtype == GRID_GME || gridtype == GRID_GAUSSIAN_REDUCED) in gridGenAreaUnstruct() 410 if (gridtype == GRID_UNSTRUCTURED && !gridHasCoordinates(gridID)) in gridGenAreaUnstruct() 425 gridtype = gridInqType(gridID); in gridGenAreaUnstruct() 427 size_t nv = (gridtype == GRID_UNSTRUCTURED) ? gridInqNvertex(gridID) : 4; in gridGenAreaUnstruct() 491 const auto gridtype = gridInqType(gridID); in gridGenArea() local 493 if (gridtype == GRID_LONLAT || gridtype == GRID_GAUSSIAN) in gridGenArea() 498 …else if (gridProjIsSupported(gridID) || gridtype == GRID_GME || gridtype == GRID_CURVILINEAR || gr… in gridGenArea() 499 || gridtype == GRID_GAUSSIAN_REDUCED) in gridGenArea() [all …]
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H A D | Selbox.cc | 55 if (gridtype == GRID_CURVILINEAR) in gengridxyvals() 86 if (gridtype == GRID_CURVILINEAR) in gengridxyvals() 223 const auto gridtype = gridInqType(gridID1); in gengridXbounds() local 225 if (gridtype == GRID_CURVILINEAR) in gengridXbounds() 246 if (gridtype == GRID_CURVILINEAR) in gengridYbounds() 343 auto gridtype = gridInqType(gridID1); in gengridcell() local 347 if (gridtype == GRID_CURVILINEAR) gridtype = GRID_UNSTRUCTURED; in gengridcell() 349 if (gridtype == GRID_UNSTRUCTURED || gridtype == GRID_GENERIC) in gengridcell() 709 if (gridtype == GRID_CURVILINEAR) in genlonlatbox() 982 …if (gridtype == GRID_LONLAT || gridtype == GRID_GAUSSIAN || gridtype == GRID_CURVILINEAR || lproje… in Selbox() [all …]
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/dports/science/cdo/cdo-2.0.0/libcdi/app/ |
H A D | printinfo.c | 151 … if (IS_NOT_EQUAL(yinc, 0) && gridtype != GRID_GAUSSIAN && gridtype != GRID_GAUSSIAN_REDUCED) in print_yvals() 196 if (gridtype == GRID_CURVILINEAR) in print_xyvals2D() 287 int gridtype = gridInqType(gridID); in printGridInfoKernel() local 308 …if (gridtype == GRID_LONLAT || gridtype == GRID_PROJECTION || gridtype == GRID_GENERIC || gridtype… in printGridInfoKernel() 309 || gridtype == GRID_GAUSSIAN || gridtype == GRID_GAUSSIAN_REDUCED) in printGridInfoKernel() 339 else if (gridtype == GRID_SPECTRAL) in printGridInfoKernel() 345 else if (gridtype == GRID_FOURIER) in printGridInfoKernel() 349 else if (gridtype == GRID_GME) in printGridInfoKernel() 355 else if (gridtype == GRID_CURVILINEAR || gridtype == GRID_UNSTRUCTURED) in printGridInfoKernel() 357 if (gridtype == GRID_CURVILINEAR) in printGridInfoKernel() [all …]
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/dports/science/cdo/cdo-2.0.0/src/mpim_grid/ |
H A D | mpim_grid.cc | 197 …if (gridtype == GRID_LONLAT || gridtype == GRID_GAUSSIAN || gridtype == GRID_GAUSSIAN_REDUCED || g… in gridToZonal() 199 if (gridtype == GRID_GAUSSIAN_REDUCED) gridtype = GRID_GAUSSIAN; in gridToZonal() 234 if (gridtype == GRID_LONLAT || gridtype == GRID_GAUSSIAN || gridtype == GRID_GENERIC) in gridToMeridional() 931 if (!(gridtype == GRID_LONLAT || gridtype == GRID_GAUSSIAN || gridtype == GRID_PROJECTION)) in gridToCurvilinear() 1390 switch (gridtype) in gridToUnstructured() 1554 …if (gridProjIsSupported(gridID) || gridtype == GRID_LONLAT || gridtype == GRID_GAUSSIAN || gridtyp… in gridWeights() 1555 || gridtype == GRID_CURVILINEAR || gridtype == GRID_UNSTRUCTURED) in gridWeights() 1613 …return (gridtype == GRID_LONLAT || gridtype == GRID_GAUSSIAN || gridtype == GRID_CURVILINEAR || lp… in is_point_grid() 1614 || gridtype == GRID_UNSTRUCTURED || gridtype == GRID_GME); in is_point_grid() 1622 if (gridtype == GRID_GME || gridtype == GRID_GAUSSIAN_REDUCED) in generate_full_grid() [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/hessian/analytic/ |
H A D | hess_energyinit.F | 24 character*15 gridtype 99 if (rtdb_cget(rtdb, 'dft:gridtype', 1, gridtype)) then 100 if(gridtype.eq.'coarse'.or.gridtype.eq.'xcoarse'. 101 $ or.gridtype.eq.'medium') gridtype='fine' 103 gridtype='fine' 106 if (.not. rtdb_cput(rtdb, 'dft:gridtype', 1, gridtype))
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/hessian/analytic/ |
H A D | hess_energyinit.F | 24 character*15 gridtype 99 if (rtdb_cget(rtdb, 'dft:gridtype', 1, gridtype)) then 100 if(gridtype.eq.'coarse'.or.gridtype.eq.'xcoarse'. 101 $ or.gridtype.eq.'medium') gridtype='fine' 103 gridtype='fine' 106 if (.not. rtdb_cput(rtdb, 'dft:gridtype', 1, gridtype))
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/dports/science/cdo/cdo-2.0.0/libcdi/src/ |
H A D | stream_grb.c | 432 if ( gridtype == GRID_GENERIC ) in grbGetGridtype() 443 gridtype = GRID_GAUSSIAN; in grbGetGridtype() 447 gridtype = GRID_LONLAT; in grbGetGridtype() 451 gridtype = GRID_LONLAT; in grbGetGridtype() 460 gridtype = GRID_PROJECTION; in grbGetGridtype() 471 gridtype = GRID_LONLAT; in grbGetGridtype() 475 if ( gridtype == GRID_PROJECTION ) in grbGetGridtype() 480 gridtype = GRID_LONLAT; in grbGetGridtype() 485 gridtype = CDI_PROJ_LCC; in grbGetGridtype() 489 gridtype = CDI_PROJ_STERE; in grbGetGridtype() [all …]
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H A D | gribapi_utilities.c | 611 if ( gridtype == GRID_GAUSSIAN ) in gribapiGetGridRegular() 795 if (gridtype == CDI_PROJ_LCC || gridtype == CDI_PROJ_STERE) in gribapiGetGrid() 797 projtype = gridtype; in gribapiGetGrid() 798 gridtype = GRID_PROJECTION; in gribapiGetGrid() 809 cdiGridTypeInit(grid, gridtype, 0); in gribapiGetGrid() 817 if ( gridtype == GRID_LONLAT || gridtype == GRID_GAUSSIAN || projtype == CDI_PROJ_RLL ) in gribapiGetGrid() 833 else if ( gridtype == GRID_SPECTRAL ) in gribapiGetGrid() 837 else if ( gridtype == GRID_GME ) in gribapiGetGrid() 845 else if ( gridtype == GRID_GENERIC ) in gribapiGetGrid() 862 if ( gridtype == GRID_GAUSSIAN || gridtype == GRID_LONLAT || gridtype == GRID_PROJECTION ) in gribapiGetGrid() [all …]
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H A D | cdf_util.c | 243 void cdf_set_gridtype(const char *attstring, int *gridtype) in cdf_set_gridtype() argument 246 if (strIsEqual(attstring, "gaussian_reduced")) *gridtype = GRID_GAUSSIAN_REDUCED; in cdf_set_gridtype() 247 else if (strIsEqual(attstring, "gaussian")) *gridtype = GRID_GAUSSIAN; in cdf_set_gridtype() 248 else if (strStartsWith(attstring, "spectral")) *gridtype = GRID_SPECTRAL; in cdf_set_gridtype() 249 else if (strStartsWith(attstring, "fourier")) *gridtype = GRID_FOURIER; in cdf_set_gridtype() 250 else if (strIsEqual(attstring, "trajectory")) *gridtype = GRID_TRAJECTORY; in cdf_set_gridtype() 251 else if (strIsEqual(attstring, "generic")) *gridtype = GRID_GENERIC; in cdf_set_gridtype() 252 else if (strIsEqual(attstring, "cell")) *gridtype = GRID_UNSTRUCTURED; in cdf_set_gridtype() 253 else if (strIsEqual(attstring, "unstructured")) *gridtype = GRID_UNSTRUCTURED; in cdf_set_gridtype() 255 else if (strIsEqual(attstring, "characterxy")) *gridtype = GRID_CHARXY; in cdf_set_gridtype()
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/property/ |
H A D | hnd_property.F | 43 character*8 gridtype 163 if (rtdb_cget(rtdb, 'dft:gridtype', 1, gridtype)) then 164 if(gridtype.eq.'coarse'.or.gridtype.eq.'xcoarse'. 165 $ or.gridtype.eq.'medium') gridtype='fine' 167 gridtype='fine' 170 if (.not. rtdb_cput(rtdb, 'dft:gridtype', 1, gridtype))
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/property/ |
H A D | hnd_property.F | 43 character*8 gridtype 163 if (rtdb_cget(rtdb, 'dft:gridtype', 1, gridtype)) then 164 if(gridtype.eq.'coarse'.or.gridtype.eq.'xcoarse'. 165 $ or.gridtype.eq.'medium') gridtype='fine' 167 gridtype='fine' 170 if (.not. rtdb_cput(rtdb, 'dft:gridtype', 1, gridtype))
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/dports/french/med/med-4.0.0/tests/python/ |
H A D | test28.py | 54 gridtype=MED_GRID_TYPE() variable 56 gridtype=MEDmeshGridTypeRd(fid,maa) variable 57 if (gridtype.val == MED_CARTESIAN_GRID): print("\t - Grille cartesienne \n") 58 if (gridtype.val == MED_CURVILINEAR_GRID): print("\t - Grille déstructuré \n") 61 if ( (meshtype.val == MED_STRUCTURED_MESH) and (gridtype.val == MED_CURVILINEAR_GRID)): 82 if (meshtype.val == MED_STRUCTURED_MESH) and (gridtype.val == MED_CARTESIAN_GRID):
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/dports/devel/py-cclib/cclib-1.7.1/cclib/method/ |
H A D | stockholder.py | 153 gridtype, gridmin, gridmax, gridn = ( 159 if isinstance(gridtype, bytes): 160 gridtype = gridtype.decode("UTF-8") 163 assert gridtype in [ 169 if gridtype == "LinearRTransform": 173 elif gridtype == "ExpRTransform": 177 elif gridtype == "PowerRTransform":
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