diff --git a/molecularnodes/io/load.py b/molecularnodes/io/load.py index f2791d30..682c2077 100644 --- a/molecularnodes/io/load.py +++ b/molecularnodes/io/load.py @@ -222,6 +222,9 @@ def att_atomic_number(): np.char.title(array.element)))) return atomic_number + def att_atom_id(): + return array.atom_id + def att_res_id(): return array.res_id @@ -263,6 +266,9 @@ def att_entity_id(): def att_b_factor(): return array.b_factor + def att_occupancy(): + return array.occupancy + def att_vdw_radii(): vdw_radii = np.array(list(map( # divide by 100 to convert from picometres to angstroms which is what all of coordinates are in @@ -357,9 +363,11 @@ def att_sec_struct(): {'name': 'res_name', 'value': att_res_name, 'type': 'INT', 'domain': 'POINT'}, {'name': 'atomic_number', 'value': att_atomic_number, 'type': 'INT', 'domain': 'POINT'}, {'name': 'b_factor', 'value': att_b_factor, 'type': 'FLOAT', 'domain': 'POINT'}, + {'name': 'occupancy', 'value': att_occupancy, 'type': 'FLOAT', 'domain': 'POINT'}, {'name': 'vdw_radii', 'value': att_vdw_radii, 'type': 'FLOAT', 'domain': 'POINT'}, {'name': 'chain_id', 'value': att_chain_id, 'type': 'INT', 'domain': 'POINT'}, {'name': 'entity_id', 'value': att_entity_id, 'type': 'INT', 'domain': 'POINT'}, + {'name': 'atom_id', 'value': att_atom_id, 'type': 'INT', 'domain': 'POINT'}, {'name': 'atom_name', 'value': att_atom_name, 'type': 'INT', 'domain': 'POINT'}, {'name': 'lipophobicity', 'value': att_lipophobicity, 'type': 'FLOAT', 'domain': 'POINT'}, {'name': 'charge', 'value': att_charge, 'type': 'FLOAT', 'domain': 'POINT'}, diff --git a/molecularnodes/io/local.py b/molecularnodes/io/local.py index 9900e851..e51b9d10 100644 --- a/molecularnodes/io/local.py +++ b/molecularnodes/io/local.py @@ -98,7 +98,7 @@ def open_structure_local_pdb(file_path): # returns a numpy array stack, where each array in the stack is a model in the # the file. The stack will be of length = 1 if there is only one model in the file - mol = pdb.get_structure(file, extra_fields = ['b_factor', 'charge'], include_bonds = True) + mol = pdb.get_structure(file, extra_fields = ['b_factor', 'charge', 'occupancy', 'atom_id'], include_bonds = True) return mol, file def open_structure_local_pdbx(file_path): diff --git a/molecularnodes/io/pdb.py b/molecularnodes/io/pdb.py index 120a6150..b694bf9d 100644 --- a/molecularnodes/io/pdb.py +++ b/molecularnodes/io/pdb.py @@ -105,7 +105,7 @@ def open_structure_rcsb(pdb_code, cache_dir = None): # returns a numpy array stack, where each array in the stack is a model in the # the file. The stack will be of length = 1 if there is only one model in the file - mol = mmtf.get_structure(file, extra_fields = ["b_factor", "charge"], include_bonds = True) + mol = mmtf.get_structure(file, extra_fields = ["b_factor", "charge", 'occupancy', 'atom_id'], include_bonds = True) set_atom_entity_id(mol, file) return mol, file diff --git a/tests/constants.py b/tests/constants.py index 6286760c..07d77d58 100644 --- a/tests/constants.py +++ b/tests/constants.py @@ -2,5 +2,5 @@ import os codes = ['4ozs', '8H1B', '1BNA', '8U8W'] -attributes = ['b_factor', 'vdw_radii', 'lipophobicity', 'charge', 'res_id', 'res_name', 'atomic_number', 'chain_id', 'entity_id', 'atom_name', 'sec_struct', 'Color', 'position', 'is_backbone', 'is_alpha_carbon', 'is_solvent', 'is_nucleic', 'is_peptide', 'is_hetero', 'is_carb', 'bond_type'] +attributes = ['b_factor', 'occupancy', 'vdw_radii', 'lipophobicity', 'charge', 'res_id', 'res_name', 'atomic_number', 'chain_id', 'entity_id', 'atom_id', 'atom_name', 'sec_struct', 'Color', 'position', 'is_backbone', 'is_alpha_carbon', 'is_solvent', 'is_nucleic', 'is_peptide', 'is_hetero', 'is_carb', 'bond_type'] test_data_directory = Path(os.path.abspath(Path(__file__).parent / 'data')) diff --git a/tests/snapshots/test_attributes/test_attribute/1BNA/att_atom_id_values.txt b/tests/snapshots/test_attributes/test_attribute/1BNA/att_atom_id_values.txt new file mode 100644 index 00000000..72e891e6 --- /dev/null +++ b/tests/snapshots/test_attributes/test_attribute/1BNA/att_atom_id_values.txt @@ -0,0 +1,6 @@ +[407 294 421 42 249 391 134 19 1 75 340 301 241 389 377 192 164 395 + 12 140 251 411 102 374 447 212 276 277 350 49 99 289 284 359 413 463 + 136 476 412 313 352 46 433 218 172 48 186 410 210 452 129 228 453 457 + 387 101 434 326 408 150 50 24 302 103 336 185 250 100 264 295 331 358 + 437 258 15 325 440 126 309 221 156 183 424 62 445 257 348 269 464 60 + 312 449 138 160 369 431 195 248 115 71] \ No newline at end of file diff --git a/tests/snapshots/test_attributes/test_attribute/1BNA/att_occupancy_values.txt b/tests/snapshots/test_attributes/test_attribute/1BNA/att_occupancy_values.txt new file mode 100644 index 00000000..20112d69 --- /dev/null +++ b/tests/snapshots/test_attributes/test_attribute/1BNA/att_occupancy_values.txt @@ -0,0 +1,5 @@ +[1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1.] \ No newline at end of file diff --git a/tests/snapshots/test_attributes/test_attribute/4ozs/att_atom_id_values.txt b/tests/snapshots/test_attributes/test_attribute/4ozs/att_atom_id_values.txt new file mode 100644 index 00000000..5fa79b8a --- /dev/null +++ b/tests/snapshots/test_attributes/test_attribute/4ozs/att_atom_id_values.txt @@ -0,0 +1,8 @@ +[1182 172 1000 542 76 1 305 1364 1208 970 771 661 45 565 + 1008 412 854 1109 1111 199 402 1160 1140 550 1256 187 876 694 + 197 748 846 519 918 410 1307 603 206 94 1212 418 1349 745 + 1003 403 1061 1186 1327 1038 59 1304 747 508 1239 887 630 738 + 1213 251 190 1031 1082 414 246 1252 555 646 408 784 997 463 + 289 1230 436 1076 26 393 353 35 1334 688 1149 1277 1273 633 + 774 779 1087 804 599 266 1007 111 386 873 1223 821 203 910 + 509 189] \ No newline at end of file diff --git a/tests/snapshots/test_attributes/test_attribute/4ozs/att_occupancy_values.txt b/tests/snapshots/test_attributes/test_attribute/4ozs/att_occupancy_values.txt new file mode 100644 index 00000000..20112d69 --- /dev/null +++ b/tests/snapshots/test_attributes/test_attribute/4ozs/att_occupancy_values.txt @@ -0,0 +1,5 @@ +[1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1.] \ No newline at end of file diff --git a/tests/snapshots/test_attributes/test_attribute/8H1B/att_atom_id_values.txt b/tests/snapshots/test_attributes/test_attribute/8H1B/att_atom_id_values.txt new file mode 100644 index 00000000..bf651324 --- /dev/null +++ b/tests/snapshots/test_attributes/test_attribute/8H1B/att_atom_id_values.txt @@ -0,0 +1,8 @@ +[3403 2473 3520 337 2109 3276 1123 151 2 603 2859 2525 2049 3265 + 3163 1617 1372 3308 90 1174 2125 3438 818 3143 3727 1812 3883 2327 + 2331 2938 392 797 2430 2390 3019 3451 3139 1139 2860 3444 2635 2953 + 367 3612 1862 1455 388 1572 3431 1796 3450 1072 1946 391 3248 814 + 3024 2737 3416 1250 406 188 2533 3851 829 3545 2829 3892 1565 2116 + 3564 3879 800 2231 2481 2777 3012 3809 3453 2186 3907 117 2731 1569 + 1047 2587 1883 1310 1544 2536 496 374 2171 3758 2924 2274 822 485 + 2624 1149] \ No newline at end of file diff --git a/tests/snapshots/test_attributes/test_attribute/8H1B/att_occupancy_values.txt b/tests/snapshots/test_attributes/test_attribute/8H1B/att_occupancy_values.txt new file mode 100644 index 00000000..e6a7c772 --- /dev/null +++ b/tests/snapshots/test_attributes/test_attribute/8H1B/att_occupancy_values.txt @@ -0,0 +1,8 @@ +[1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 0.41 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 0.5 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 0.59 1. ] \ No newline at end of file diff --git a/tests/snapshots/test_attributes/test_attribute/8U8W/att_atom_id_values.txt b/tests/snapshots/test_attributes/test_attribute/8U8W/att_atom_id_values.txt new file mode 100644 index 00000000..d5494481 --- /dev/null +++ b/tests/snapshots/test_attributes/test_attribute/8U8W/att_atom_id_values.txt @@ -0,0 +1,8 @@ +[ 342 2060 1117 152 2 610 2000 1593 1373 90 1172 2076 825 1760 + 2278 2282 399 804 2381 2341 1143 374 1804 1439 395 1548 1744 1039 + 1897 398 821 1248 413 194 836 1541 2067 807 2182 2137 117 1545 + 1017 1825 1302 1528 503 381 2122 2225 829 492 1153 1344 817 1620 + 2055 926 579 873 2212 52 787 706 70 1428 2358 1311 1599 1610 + 2234 1659 1240 533 2075 227 773 1797 1694 407 1881 1018 378 1901 + 1905 1621 320 2190 1811 2002 1298 1740 365 801 1144 1922 2071 719 + 76 2277] \ No newline at end of file diff --git a/tests/snapshots/test_attributes/test_attribute/8U8W/att_occupancy_values.txt b/tests/snapshots/test_attributes/test_attribute/8U8W/att_occupancy_values.txt new file mode 100644 index 00000000..51d790b9 --- /dev/null +++ b/tests/snapshots/test_attributes/test_attribute/8U8W/att_occupancy_values.txt @@ -0,0 +1,8 @@ +[0.55 1. 0.68 0.54 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 0.8 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. ] \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-1BNA-ball_and_stick/atom_id.txt b/tests/snapshots/test_load/test_style_1/False-1BNA-ball_and_stick/atom_id.txt new file mode 100644 index 00000000..55ca03b5 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-1BNA-ball_and_stick/atom_id.txt @@ -0,0 +1,6 @@ +[386 215 409 137 146 362 438 63 2 248 284 225 134 360 341 58 17 368 + 38 461 149 393 337 337 448 90 478 187 188 299 157 328 207 199 313 396 + 336 452 285 394 243 302 150 426 99 29 158 50 392 87 395 426 115 313 + 160 357 335 314 263 389 170 167 72 227 472 342 413 279 479 49 147 417 + 477 329 169 217 270 312 464 396 160 482 49 262 49 416 237 103 5 46 + 227 204 152 158 454 297 177 339 200 242] \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-1BNA-ball_and_stick/occupancy.txt b/tests/snapshots/test_load/test_style_1/False-1BNA-ball_and_stick/occupancy.txt new file mode 100644 index 00000000..20112d69 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-1BNA-ball_and_stick/occupancy.txt @@ -0,0 +1,5 @@ +[1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1.] \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-1BNA-preset_1/atom_id.txt b/tests/snapshots/test_load/test_style_1/False-1BNA-preset_1/atom_id.txt new file mode 100644 index 00000000..8d01e2d0 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-1BNA-preset_1/atom_id.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "atom_id" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-1BNA-preset_1/occupancy.txt b/tests/snapshots/test_load/test_style_1/False-1BNA-preset_1/occupancy.txt new file mode 100644 index 00000000..c040a631 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-1BNA-preset_1/occupancy.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "occupancy" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-1BNA-ribbon/atom_id.txt b/tests/snapshots/test_load/test_style_1/False-1BNA-ribbon/atom_id.txt new file mode 100644 index 00000000..8d01e2d0 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-1BNA-ribbon/atom_id.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "atom_id" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-1BNA-ribbon/occupancy.txt b/tests/snapshots/test_load/test_style_1/False-1BNA-ribbon/occupancy.txt new file mode 100644 index 00000000..c040a631 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-1BNA-ribbon/occupancy.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "occupancy" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-1BNA-spheres/atom_id.txt b/tests/snapshots/test_load/test_style_1/False-1BNA-spheres/atom_id.txt new file mode 100644 index 00000000..c3dfeb1e --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-1BNA-spheres/atom_id.txt @@ -0,0 +1,6 @@ +[448 63 379 205 29 1 114 458 367 292 250 18 213 382 155 324 420 421 + 74 151 440 432 208 476 69 332 262 73 283 320 196 348 74 154 228 77 + 36 460 157 282 380 152 402 450 393 23 282 192 470 336 238 279 460 94 + 70 391 410 156 92 475 210 244 154 297 378 174 108 467 164 408 10 148 + 132 14 260 436 484 483 239 293 295 412 304 226 99 382 42 145 330 464 + 311 75 345 192 70 471 349 349 297 60] \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-1BNA-spheres/occupancy.txt b/tests/snapshots/test_load/test_style_1/False-1BNA-spheres/occupancy.txt new file mode 100644 index 00000000..20112d69 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-1BNA-spheres/occupancy.txt @@ -0,0 +1,5 @@ +[1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1.] \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-1BNA-surface/atom_id.txt b/tests/snapshots/test_load/test_style_1/False-1BNA-surface/atom_id.txt new file mode 100644 index 00000000..8d01e2d0 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-1BNA-surface/atom_id.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "atom_id" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-1BNA-surface/occupancy.txt b/tests/snapshots/test_load/test_style_1/False-1BNA-surface/occupancy.txt new file mode 100644 index 00000000..c040a631 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-1BNA-surface/occupancy.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "occupancy" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-4ozs-ball_and_stick/atom_id.txt b/tests/snapshots/test_load/test_style_1/False-4ozs-ball_and_stick/atom_id.txt new file mode 100644 index 00000000..f959e998 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-4ozs-ball_and_stick/atom_id.txt @@ -0,0 +1,8 @@ +[1206 673 929 232 311 2 1206 1246 883 580 412 190 267 941 + 28 708 1095 1098 782 12 1174 1143 244 1319 736 741 463 773 + 546 695 197 805 780 25 324 813 384 1252 36 540 934 14 + 1022 1213 987 241 543 180 1293 756 365 531 1254 995 747 976 + 1055 31 972 1314 252 390 22 601 925 105 1145 1280 65 1045 + 104 1333 215 141 454 1156 1351 1346 371 585 593 1061 630 318 + 1053 941 452 1140 735 1269 657 798 793 181 742 1298 808 811 + 601 638] \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-4ozs-ball_and_stick/occupancy.txt b/tests/snapshots/test_load/test_style_1/False-4ozs-ball_and_stick/occupancy.txt new file mode 100644 index 00000000..20112d69 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-4ozs-ball_and_stick/occupancy.txt @@ -0,0 +1,5 @@ +[1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1.] \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-4ozs-cartoon/atom_id.txt b/tests/snapshots/test_load/test_style_1/False-4ozs-cartoon/atom_id.txt new file mode 100644 index 00000000..8d01e2d0 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-4ozs-cartoon/atom_id.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "atom_id" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-4ozs-cartoon/occupancy.txt b/tests/snapshots/test_load/test_style_1/False-4ozs-cartoon/occupancy.txt new file mode 100644 index 00000000..c040a631 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-4ozs-cartoon/occupancy.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "occupancy" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-4ozs-preset_1/atom_id.txt b/tests/snapshots/test_load/test_style_1/False-4ozs-preset_1/atom_id.txt new file mode 100644 index 00000000..8d01e2d0 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-4ozs-preset_1/atom_id.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "atom_id" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-4ozs-preset_1/occupancy.txt b/tests/snapshots/test_load/test_style_1/False-4ozs-preset_1/occupancy.txt new file mode 100644 index 00000000..c040a631 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-4ozs-preset_1/occupancy.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "occupancy" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-4ozs-ribbon/atom_id.txt b/tests/snapshots/test_load/test_style_1/False-4ozs-ribbon/atom_id.txt new file mode 100644 index 00000000..8d01e2d0 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-4ozs-ribbon/atom_id.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "atom_id" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-4ozs-ribbon/occupancy.txt b/tests/snapshots/test_load/test_style_1/False-4ozs-ribbon/occupancy.txt new file mode 100644 index 00000000..c040a631 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-4ozs-ribbon/occupancy.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "occupancy" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-4ozs-spheres/atom_id.txt b/tests/snapshots/test_load/test_style_1/False-4ozs-spheres/atom_id.txt new file mode 100644 index 00000000..c0d955d2 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-4ozs-spheres/atom_id.txt @@ -0,0 +1,8 @@ +[1244 902 1289 126 763 1196 415 58 1 234 1041 922 740 1192 + 1153 589 505 1208 35 432 769 1258 316 1145 1368 653 846 848 + 1071 149 308 886 870 1098 1263 1144 421 1041 1260 958 1076 138 + 1324 669 530 147 572 1255 646 1262 397 701 1098 148 1185 314 + 1100 997 1249 461 159 72 925 320 1298 1029 569 766 1306 309 + 810 905 1012 1096 1263 792 45 995 570 389 945 677 481 564 + 926 193 140 787 1065 826 317 189 956 1041 425 494 1128 313 + 599 761] \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-4ozs-spheres/occupancy.txt b/tests/snapshots/test_load/test_style_1/False-4ozs-spheres/occupancy.txt new file mode 100644 index 00000000..aadd1234 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-4ozs-spheres/occupancy.txt @@ -0,0 +1,6 @@ +[1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 0.5 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. ] \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-4ozs-surface/atom_id.txt b/tests/snapshots/test_load/test_style_1/False-4ozs-surface/atom_id.txt new file mode 100644 index 00000000..8d01e2d0 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-4ozs-surface/atom_id.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "atom_id" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-4ozs-surface/occupancy.txt b/tests/snapshots/test_load/test_style_1/False-4ozs-surface/occupancy.txt new file mode 100644 index 00000000..c040a631 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-4ozs-surface/occupancy.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "occupancy" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-8H1B-ball_and_stick/atom_id.txt b/tests/snapshots/test_load/test_style_1/False-8H1B-ball_and_stick/atom_id.txt new file mode 100644 index 00000000..c46f24d8 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-8H1B-ball_and_stick/atom_id.txt @@ -0,0 +1,8 @@ +[3416 2015 3594 1379 1410 3221 2352 608 8 2492 2570 2094 1309 3206 + 3051 646 311 3271 365 13 1442 3469 3341 3019 3910 913 1787 1793 + 2704 1627 3272 1950 1888 2821 3489 3013 2799 2571 3478 2241 2727 1511 + 3734 985 412 1605 577 3459 876 3487 954 1141 2822 1615 3180 3328 + 2829 2396 3435 129 1686 749 2107 3379 3631 2524 566 1425 3662 3281 + 1611 2027 2456 2803 3492 1535 471 2387 573 291 2189 1027 211 548 + 2110 2071 1540 1513 2683 1689 3356 2025 2229 2570 3102 266 2943 3316 + 688 1398] \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-8H1B-ball_and_stick/occupancy.txt b/tests/snapshots/test_load/test_style_1/False-8H1B-ball_and_stick/occupancy.txt new file mode 100644 index 00000000..0970b2f4 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-8H1B-ball_and_stick/occupancy.txt @@ -0,0 +1,8 @@ +[1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 0.59 1. 1. + 1. 0.41 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 0.44 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 0.6 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 0.5 ] \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-8H1B-cartoon/atom_id.txt b/tests/snapshots/test_load/test_style_1/False-8H1B-cartoon/atom_id.txt new file mode 100644 index 00000000..8d01e2d0 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-8H1B-cartoon/atom_id.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "atom_id" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-8H1B-cartoon/occupancy.txt b/tests/snapshots/test_load/test_style_1/False-8H1B-cartoon/occupancy.txt new file mode 100644 index 00000000..c040a631 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-8H1B-cartoon/occupancy.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "occupancy" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-8H1B-preset_1/atom_id.txt b/tests/snapshots/test_load/test_style_1/False-8H1B-preset_1/atom_id.txt new file mode 100644 index 00000000..97bb53f7 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-8H1B-preset_1/atom_id.txt @@ -0,0 +1,8 @@ +[3919 0 3930 0 0 3907 0 0 0 0 3918 0 0 3906 + 3896 0 0 3910 0 0 0 3923 0 3894 0 0 0 3932 + 0 0 0 0 3943 3924 3894 0 3918 3923 0 3930 0 3939 + 0 0 0 0 3922 0 3924 0 0 3943 0 3904 0 3944 + 3902 3920 0 0 0 0 0 3933 3914 0 0 3935 0 0 + 0 3906 3941 3924 0 0 3900 0 0 0 0 0 0 0 + 0 0 0 3930 0 0 0 0 3918 0 0 0 0 0 + 0 0] \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-8H1B-preset_1/occupancy.txt b/tests/snapshots/test_load/test_style_1/False-8H1B-preset_1/occupancy.txt new file mode 100644 index 00000000..476e94c6 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-8H1B-preset_1/occupancy.txt @@ -0,0 +1,5 @@ +[1. 0. 1. 0. 0. 1. 0. 0. 0. 0. 1. 0. 0. 1. 1. 0. 0. 1. 0. 0. 0. 1. 0. 1. + 0. 0. 0. 1. 0. 0. 0. 0. 1. 1. 1. 0. 1. 1. 0. 1. 0. 1. 0. 0. 0. 0. 1. 0. + 1. 0. 0. 1. 0. 1. 0. 1. 1. 1. 0. 0. 0. 0. 0. 1. 1. 0. 0. 1. 0. 0. 0. 1. + 1. 1. 0. 0. 1. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 1. 0. 0. 0. 0. 1. 0. 0. 0. + 0. 0. 0. 0.] \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-8H1B-ribbon/atom_id.txt b/tests/snapshots/test_load/test_style_1/False-8H1B-ribbon/atom_id.txt new file mode 100644 index 00000000..8d01e2d0 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-8H1B-ribbon/atom_id.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "atom_id" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-8H1B-ribbon/occupancy.txt b/tests/snapshots/test_load/test_style_1/False-8H1B-ribbon/occupancy.txt new file mode 100644 index 00000000..c040a631 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-8H1B-ribbon/occupancy.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "occupancy" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-8H1B-spheres/atom_id.txt b/tests/snapshots/test_load/test_style_1/False-8H1B-spheres/atom_id.txt new file mode 100644 index 00000000..fbea216b --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-8H1B-spheres/atom_id.txt @@ -0,0 +1,8 @@ +[3735 509 3181 1740 235 3 932 3814 3089 2452 2116 137 1819 3205 + 1300 2721 3513 3519 595 1262 3670 3609 1765 556 2787 2217 588 2383 + 2695 1663 2923 592 1294 1940 615 292 3827 1317 2372 3191 1267 3366 + 3748 3297 178 2378 1617 3909 2826 2022 2353 3831 753 566 3275 3432 + 1306 736 1789 2072 1288 2493 3173 1471 868 3882 1374 3412 79 1236 + 1107 107 2200 3635 2033 2461 2478 3445 2551 1927 798 3204 342 1214 + 2776 3861 2606 606 2899 1623 562 3918 2929 2936 2494 484 3378 2798 + 3093 2017] \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-8H1B-spheres/occupancy.txt b/tests/snapshots/test_load/test_style_1/False-8H1B-spheres/occupancy.txt new file mode 100644 index 00000000..81725718 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-8H1B-spheres/occupancy.txt @@ -0,0 +1,8 @@ +[1. 1. 1. 1. 0.39 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 0.41 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 0.59 1. 1. 0.41 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. ] \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-8H1B-surface/atom_id.txt b/tests/snapshots/test_load/test_style_1/False-8H1B-surface/atom_id.txt new file mode 100644 index 00000000..8d01e2d0 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-8H1B-surface/atom_id.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "atom_id" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-8H1B-surface/occupancy.txt b/tests/snapshots/test_load/test_style_1/False-8H1B-surface/occupancy.txt new file mode 100644 index 00000000..c040a631 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-8H1B-surface/occupancy.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "occupancy" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-8U8W-ball_and_stick/atom_id.txt b/tests/snapshots/test_load/test_style_1/False-8U8W-ball_and_stick/atom_id.txt new file mode 100644 index 00000000..e2d0ad71 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-8U8W-ball_and_stick/atom_id.txt @@ -0,0 +1,8 @@ +[1386 2094 639 621 9 530 2001 1386 1000 374 708 2117 236 1641 + 1608 204 664 1507 1708 1143 1590 1311 1616 570 1836 1600 230 824 + 1666 769 253 1298 2104 208 2279 2210 482 1304 535 1739 906 1279 + 2035 1532 2188 2345 242 1992 678 955 224 1428 2086 397 2336 309 + 2325 213 177 49 286 1115 917 1396 1413 2358 1486 811 2151 2117 + 897 151 1697 1540 1640 1811 537 1524 1842 1850 1429 1315 2291 1719 + 2006 900 1611 1473 199 665 1884 2110 68 310 374 2098 574 1302 + 170 606] \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-8U8W-ball_and_stick/occupancy.txt b/tests/snapshots/test_load/test_style_1/False-8U8W-ball_and_stick/occupancy.txt new file mode 100644 index 00000000..a4d53be6 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-8U8W-ball_and_stick/occupancy.txt @@ -0,0 +1,8 @@ +[1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 0.8 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 0.68 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 0.42 1. 0.8 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. ] \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-8U8W-cartoon/atom_id.txt b/tests/snapshots/test_load/test_style_1/False-8U8W-cartoon/atom_id.txt new file mode 100644 index 00000000..8d01e2d0 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-8U8W-cartoon/atom_id.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "atom_id" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-8U8W-cartoon/occupancy.txt b/tests/snapshots/test_load/test_style_1/False-8U8W-cartoon/occupancy.txt new file mode 100644 index 00000000..c040a631 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-8U8W-cartoon/occupancy.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "occupancy" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-8U8W-preset_1/atom_id.txt b/tests/snapshots/test_load/test_style_1/False-8U8W-preset_1/atom_id.txt new file mode 100644 index 00000000..79e6de0c --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-8U8W-preset_1/atom_id.txt @@ -0,0 +1,8 @@ +[ 0 2369 0 0 0 0 2363 0 0 0 0 2370 0 0 + 2390 2390 0 0 0 0 0 0 0 0 0 0 2380 0 + 0 0 0 0 0 0 2370 0 2381 2376 0 0 0 0 + 0 0 0 0 2375 2385 0 0 0 0 0 0 2368 0 + 0 0 2383 0 0 0 0 0 0 0 0 2386 0 0 + 0 2370 0 0 0 0 0 2376 0 0 2379 2381 0 0 + 2381 0 2363 0 0 0 0 0 2385 2370 0 0 2390 0 + 0 0] \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-8U8W-preset_1/occupancy.txt b/tests/snapshots/test_load/test_style_1/False-8U8W-preset_1/occupancy.txt new file mode 100644 index 00000000..7ff9dae3 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-8U8W-preset_1/occupancy.txt @@ -0,0 +1,6 @@ +[0. 0.8 0. 0. 0. 0. 0.5 0. 0. 0. 0. 0.8 0. 0. 1. 1. 0. 0. + 0. 0. 0. 0. 0. 0. 0. 0. 1. 0. 0. 0. 0. 0. 0. 0. 0.8 0. + 1. 1. 0. 0. 0. 0. 0. 0. 0. 0. 1. 1. 0. 0. 0. 0. 0. 0. + 0.8 0. 0. 0. 1. 0. 0. 0. 0. 0. 0. 0. 0. 1. 0. 0. 0. 0.8 + 0. 0. 0. 0. 0. 1. 0. 0. 1. 1. 0. 0. 1. 0. 0.5 0. 0. 0. + 0. 0. 1. 0.8 0. 0. 1. 0. 0. 0. ] \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-8U8W-ribbon/atom_id.txt b/tests/snapshots/test_load/test_style_1/False-8U8W-ribbon/atom_id.txt new file mode 100644 index 00000000..8d01e2d0 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-8U8W-ribbon/atom_id.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "atom_id" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-8U8W-ribbon/occupancy.txt b/tests/snapshots/test_load/test_style_1/False-8U8W-ribbon/occupancy.txt new file mode 100644 index 00000000..c040a631 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-8U8W-ribbon/occupancy.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "occupancy" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-8U8W-spheres/atom_id.txt b/tests/snapshots/test_load/test_style_1/False-8U8W-spheres/atom_id.txt new file mode 100644 index 00000000..9d6f6af5 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-8U8W-spheres/atom_id.txt @@ -0,0 +1,8 @@ +[1862 258 1578 830 115 2 468 2142 1904 1532 2367 1220 1010 69 + 865 1590 632 2351 1357 1744 1747 2202 301 616 1823 1792 2257 2348 + 842 2142 1977 2213 281 1390 1069 297 1186 1344 795 1454 2257 299 + 629 2260 2055 922 311 143 1910 640 2119 1180 1583 618 1671 1871 + 2085 2252 1636 89 2050 1183 778 1951 1405 963 1171 1912 387 286 + 1625 2191 1704 635 378 1972 2142 850 988 2317 626 1241 1574 709 + 444 1938 669 2252 1694 40 603 541 54 2096 1052 1805 2169 2009 + 2004 969] \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-8U8W-spheres/occupancy.txt b/tests/snapshots/test_load/test_style_1/False-8U8W-spheres/occupancy.txt new file mode 100644 index 00000000..8652fdba --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-8U8W-spheres/occupancy.txt @@ -0,0 +1,8 @@ +[0.42 1. 1. 1. 1. 1. 1. 1. 1. 1. 0.8 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 0.68 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. 1. + 1. 1. ] \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-8U8W-surface/atom_id.txt b/tests/snapshots/test_load/test_style_1/False-8U8W-surface/atom_id.txt new file mode 100644 index 00000000..8d01e2d0 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-8U8W-surface/atom_id.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "atom_id" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_1/False-8U8W-surface/occupancy.txt b/tests/snapshots/test_load/test_style_1/False-8U8W-surface/occupancy.txt new file mode 100644 index 00000000..c040a631 --- /dev/null +++ b/tests/snapshots/test_load/test_style_1/False-8U8W-surface/occupancy.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "occupancy" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_2/True-1BNA-ribbon/atom_id.txt b/tests/snapshots/test_load/test_style_2/True-1BNA-ribbon/atom_id.txt new file mode 100644 index 00000000..8d01e2d0 --- /dev/null +++ b/tests/snapshots/test_load/test_style_2/True-1BNA-ribbon/atom_id.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "atom_id" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_2/True-1BNA-ribbon/occupancy.txt b/tests/snapshots/test_load/test_style_2/True-1BNA-ribbon/occupancy.txt new file mode 100644 index 00000000..c040a631 --- /dev/null +++ b/tests/snapshots/test_load/test_style_2/True-1BNA-ribbon/occupancy.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "occupancy" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_2/True-1BNA-surface/atom_id.txt b/tests/snapshots/test_load/test_style_2/True-1BNA-surface/atom_id.txt new file mode 100644 index 00000000..8d01e2d0 --- /dev/null +++ b/tests/snapshots/test_load/test_style_2/True-1BNA-surface/atom_id.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "atom_id" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_2/True-1BNA-surface/occupancy.txt b/tests/snapshots/test_load/test_style_2/True-1BNA-surface/occupancy.txt new file mode 100644 index 00000000..c040a631 --- /dev/null +++ b/tests/snapshots/test_load/test_style_2/True-1BNA-surface/occupancy.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "occupancy" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_2/True-4ozs-cartoon/atom_id.txt b/tests/snapshots/test_load/test_style_2/True-4ozs-cartoon/atom_id.txt new file mode 100644 index 00000000..8d01e2d0 --- /dev/null +++ b/tests/snapshots/test_load/test_style_2/True-4ozs-cartoon/atom_id.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "atom_id" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_2/True-4ozs-cartoon/occupancy.txt b/tests/snapshots/test_load/test_style_2/True-4ozs-cartoon/occupancy.txt new file mode 100644 index 00000000..c040a631 --- /dev/null +++ b/tests/snapshots/test_load/test_style_2/True-4ozs-cartoon/occupancy.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "occupancy" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_2/True-4ozs-ribbon/atom_id.txt b/tests/snapshots/test_load/test_style_2/True-4ozs-ribbon/atom_id.txt new file mode 100644 index 00000000..8d01e2d0 --- /dev/null +++ b/tests/snapshots/test_load/test_style_2/True-4ozs-ribbon/atom_id.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "atom_id" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_2/True-4ozs-ribbon/occupancy.txt b/tests/snapshots/test_load/test_style_2/True-4ozs-ribbon/occupancy.txt new file mode 100644 index 00000000..c040a631 --- /dev/null +++ b/tests/snapshots/test_load/test_style_2/True-4ozs-ribbon/occupancy.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "occupancy" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_2/True-4ozs-surface/atom_id.txt b/tests/snapshots/test_load/test_style_2/True-4ozs-surface/atom_id.txt new file mode 100644 index 00000000..8d01e2d0 --- /dev/null +++ b/tests/snapshots/test_load/test_style_2/True-4ozs-surface/atom_id.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "atom_id" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_2/True-4ozs-surface/occupancy.txt b/tests/snapshots/test_load/test_style_2/True-4ozs-surface/occupancy.txt new file mode 100644 index 00000000..c040a631 --- /dev/null +++ b/tests/snapshots/test_load/test_style_2/True-4ozs-surface/occupancy.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "occupancy" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_2/True-8H1B-cartoon/atom_id.txt b/tests/snapshots/test_load/test_style_2/True-8H1B-cartoon/atom_id.txt new file mode 100644 index 00000000..8d01e2d0 --- /dev/null +++ b/tests/snapshots/test_load/test_style_2/True-8H1B-cartoon/atom_id.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "atom_id" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_2/True-8H1B-cartoon/occupancy.txt b/tests/snapshots/test_load/test_style_2/True-8H1B-cartoon/occupancy.txt new file mode 100644 index 00000000..c040a631 --- /dev/null +++ b/tests/snapshots/test_load/test_style_2/True-8H1B-cartoon/occupancy.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "occupancy" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_2/True-8H1B-ribbon/atom_id.txt b/tests/snapshots/test_load/test_style_2/True-8H1B-ribbon/atom_id.txt new file mode 100644 index 00000000..8d01e2d0 --- /dev/null +++ b/tests/snapshots/test_load/test_style_2/True-8H1B-ribbon/atom_id.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "atom_id" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_2/True-8H1B-ribbon/occupancy.txt b/tests/snapshots/test_load/test_style_2/True-8H1B-ribbon/occupancy.txt new file mode 100644 index 00000000..c040a631 --- /dev/null +++ b/tests/snapshots/test_load/test_style_2/True-8H1B-ribbon/occupancy.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "occupancy" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_2/True-8H1B-surface/atom_id.txt b/tests/snapshots/test_load/test_style_2/True-8H1B-surface/atom_id.txt new file mode 100644 index 00000000..8d01e2d0 --- /dev/null +++ b/tests/snapshots/test_load/test_style_2/True-8H1B-surface/atom_id.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "atom_id" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_2/True-8H1B-surface/occupancy.txt b/tests/snapshots/test_load/test_style_2/True-8H1B-surface/occupancy.txt new file mode 100644 index 00000000..c040a631 --- /dev/null +++ b/tests/snapshots/test_load/test_style_2/True-8H1B-surface/occupancy.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "occupancy" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_2/True-8U8W-cartoon/atom_id.txt b/tests/snapshots/test_load/test_style_2/True-8U8W-cartoon/atom_id.txt new file mode 100644 index 00000000..8d01e2d0 --- /dev/null +++ b/tests/snapshots/test_load/test_style_2/True-8U8W-cartoon/atom_id.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "atom_id" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_2/True-8U8W-cartoon/occupancy.txt b/tests/snapshots/test_load/test_style_2/True-8U8W-cartoon/occupancy.txt new file mode 100644 index 00000000..c040a631 --- /dev/null +++ b/tests/snapshots/test_load/test_style_2/True-8U8W-cartoon/occupancy.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "occupancy" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_2/True-8U8W-ribbon/atom_id.txt b/tests/snapshots/test_load/test_style_2/True-8U8W-ribbon/atom_id.txt new file mode 100644 index 00000000..8d01e2d0 --- /dev/null +++ b/tests/snapshots/test_load/test_style_2/True-8U8W-ribbon/atom_id.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "atom_id" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_2/True-8U8W-ribbon/occupancy.txt b/tests/snapshots/test_load/test_style_2/True-8U8W-ribbon/occupancy.txt new file mode 100644 index 00000000..c040a631 --- /dev/null +++ b/tests/snapshots/test_load/test_style_2/True-8U8W-ribbon/occupancy.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "occupancy" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_2/True-8U8W-surface/atom_id.txt b/tests/snapshots/test_load/test_style_2/True-8U8W-surface/atom_id.txt new file mode 100644 index 00000000..8d01e2d0 --- /dev/null +++ b/tests/snapshots/test_load/test_style_2/True-8U8W-surface/atom_id.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "atom_id" not found' \ No newline at end of file diff --git a/tests/snapshots/test_load/test_style_2/True-8U8W-surface/occupancy.txt b/tests/snapshots/test_load/test_style_2/True-8U8W-surface/occupancy.txt new file mode 100644 index 00000000..c040a631 --- /dev/null +++ b/tests/snapshots/test_load/test_style_2/True-8U8W-surface/occupancy.txt @@ -0,0 +1 @@ +'bpy_prop_collection[key]: key "occupancy" not found' \ No newline at end of file