| Name | Stmts | Miss | Branch | BrPart | Cover | Missing |
|---|---|---|---|---|---|---|
| src//plinder/__init__.py | 4 | 0 | 0 | 0 | 100.0000% | |
| src//plinder/_version.py | 15 | 4 | 0 | 0 | 73.3333% | 16-19 |
| src//plinder/core/__init__.py | 5 | 0 | 0 | 0 | 100.0000% | |
| src//plinder/core/index/__init__.py | 2 | 0 | 0 | 0 | 100.0000% | |
| src//plinder/core/index/system.py | 196 | 54 | 48 | 5 | 66.8033% | 40, 75-76, 112, 211-212, 257-260, 272-281, 299-323, 337-338, 352-353, 391-405, 425, 430->435, 431->430, 436 |
| src//plinder/core/index/utils.py | 133 | 18 | 58 | 11 | 82.7225% | 75, 162, 170-175, 177-178, 180-181, 199, 252, 260, 275, 291, 293 |
| src//plinder/core/loader/__init__.py | 2 | 0 | 0 | 0 | 100.0000% | |
| src//plinder/core/loader/dataset.py | 35 | 3 | 4 | 2 | 87.1795% | 59, 65, 70->73, 94 |
| src//plinder/core/loader/featurizer.py | 29 | 0 | 0 | 0 | 100.0000% | |
| src//plinder/core/loader/transforms.py | 13 | 2 | 0 | 0 | 84.6154% | 6, 12 |
| src//plinder/core/loader/utils.py | 56 | 29 | 12 | 3 | 44.1176% | 41->44, 48, 98->102, 116-128, 178-210 |
| src//plinder/core/scores/__init__.py | 8 | 0 | 0 | 0 | 100.0000% | |
| src//plinder/core/scores/clusters.py | 19 | 2 | 2 | 1 | 85.7143% | 51-52 |
| src//plinder/core/scores/index.py | 35 | 2 | 14 | 2 | 91.8367% | 46, 75 |
| src//plinder/core/scores/ligand.py | 46 | 3 | 8 | 2 | 90.7407% | 49-52, 66 |
| src//plinder/core/scores/links.py | 32 | 7 | 10 | 4 | 73.8095% | 44-45, 47-48, 51, 65-66 |
| src//plinder/core/scores/protein.py | 77 | 6 | 30 | 8 | 86.9159% | 47->53, 61-62, 160, 164->174, 170, 173, 181->183, 190 |
| src//plinder/core/scores/query.py | 104 | 9 | 56 | 8 | 88.1250% | 49, 97, 104, 173->181, 176-178, 216, 218, 264 |
| src//plinder/core/split/__init__.py | 2 | 0 | 0 | 0 | 100.0000% | |
| src//plinder/core/split/plot.py | 302 | 182 | 76 | 10 | 35.4497% | 19-20, 39, 156, 158, 159->161, 171, 176, 189-205, 295-313, 329-330, 379-397, 400-428, 431-473, 476-603, 606-614, 625-626, 629-660, 663-710, 713-755, 762, 764-766, 769-773, 777-820, 832 |
| src//plinder/core/split/utils.py | 19 | 8 | 2 | 0 | 52.3810% | 35-42 |
| src//plinder/core/structure/__init__.py | 0 | 0 | 0 | 0 | 100.0000% | |
| src//plinder/core/structure/atoms.py | 106 | 22 | 30 | 4 | 73.5294% | 83, 97-99, 125->124, 134-138, 142-144, 148, 177, 231-238 |
| src//plinder/core/structure/contacts.py | 88 | 8 | 30 | 5 | 88.9831% | 93->95, 112-113, 191->195, 207, 220, 226-232, 258-261 |
| src//plinder/core/structure/diffdock_utils.py | 177 | 137 | 58 | 1 | 18.2979% | 26, 32, 38-43, 58-79, 86-93, 96-98, 102-121, 127-169, 173-188, 374-375, 388, 450-464, 476-520 |
| src//plinder/core/structure/models.py | 12 | 0 | 0 | 0 | 100.0000% | |
| src//plinder/core/structure/smallmols_similarity.py | 157 | 42 | 36 | 7 | 71.5026% | 50-51, 63->65, 74-77, 83-126, 130-139, 163-164, 169, 242, 297, 299, 301 |
| src//plinder/core/structure/smallmols_utils.py | 258 | 60 | 80 | 16 | 72.7811% | 38-39, 82-90, 147, 149, 154-159, 170->173, 175->162, 203-209, 213-220, 234, 253-257, 259, 278-281, 285, 327-357, 374-381, 442-443, 495-496, 521->554, 530->545, 545->554, 550->554, 557 |
| src//plinder/core/structure/structure.py | 327 | 128 | 78 | 15 | 55.8025% | 65-75, 84, 88-91, 167, 177, 183-186, 203-211, 215, 217, 219, 244-245, 248-270, 287-289, 300, 302->305, 317-319, 325-328, 338-401, 404-405, 417, 419, 472-475, 531, 550-555, 560-565, 600-601, 625->630, 635-637, 642-644, 649-651, 656-662, 667-670, 675-681, 686-690, 695-699, 713-717, 724->726, 726->728, 732 |
| src//plinder/core/structure/superimpose.py | 57 | 7 | 16 | 5 | 80.8219% | 92, 104-107, 115, 138, 162->166 |
| src//plinder/core/structure/surgery.py | 65 | 51 | 18 | 0 | 16.8675% | 19-30, 38-48, 54-86, 97, 118-129 |
| src//plinder/core/structure/vendored.py | 367 | 213 | 116 | 17 | 39.1304% | 30-32, 36-38, 44-53, 70-72, 77-87, 96, 103-104, 124-127, 137->139, 140, 141->143, 161-162, 167-173, 179-184, 194-284, 342, 352, 377->379, 379->381, 384, 424->427, 440->442, 442->444, 444->439, 483-503, 515, 517, 531-551, 558-578, 613-638, 671-688, 694-707, 763-798, 817-826, 842-844, 862-865, 885-903 |
| src//plinder/core/utils/__init__.py | 0 | 0 | 0 | 0 | 100.0000% | |
| src//plinder/core/utils/config.py | 127 | 4 | 40 | 5 | 94.6108% | 130->129, 134, 155, 263, 286 |
| src//plinder/core/utils/constants.py | 48 | 0 | 0 | 0 | 100.0000% | |
| src//plinder/core/utils/cpl.py | 62 | 2 | 22 | 2 | 95.2381% | 40, 53 |
| src//plinder/core/utils/dataclass.py | 33 | 3 | 18 | 4 | 86.2745% | 37, 47, 54->57, 65 |
| src//plinder/core/utils/dec.py | 19 | 0 | 0 | 0 | 100.0000% | |
| src//plinder/core/utils/gcs.py | 93 | 25 | 24 | 7 | 67.5214% | 28->50, 33-35, 47, 54-58, 117-120, 132-133, 135, 145, 157-164 |
| src//plinder/core/utils/io.py | 47 | 7 | 6 | 2 | 83.0189% | 54->62, 57-58, 67-81 |
| src//plinder/core/utils/load_systems.py | 23 | 23 | 12 | 0 | 0.0000% | 4-41 |
| src//plinder/core/utils/log.py | 37 | 12 | 14 | 2 | 64.7059% | 12-13, 63-66, 83-88 |
| src//plinder/core/utils/r2.py | 111 | 3 | 32 | 4 | 95.1049% | 56->78, 96, 98, 129 |
| src//plinder/core/utils/schemas.py | 9 | 0 | 0 | 0 | 100.0000% | |
| src//plinder/core/utils/unpack.py | 88 | 8 | 44 | 6 | 89.3939% | 33, 39, 45, 114, 127->132, 138-140, 146 |
| src//plinder/data/__init__.py | 6 | 2 | 0 | 0 | 66.6667% | 8-9 |
| src//plinder/data/_version.py | 15 | 15 | 0 | 0 | 0.0000% | 18-40 |
| src//plinder/data/clusters.py | 118 | 37 | 26 | 6 | 65.9722% | 195-232, 257-258, 267->exit, 274, 305-306, 320-321, 332-369, 380 |
| src//plinder/data/column_descriptions/__init__.py | 0 | 0 | 0 | 0 | 100.0000% | |
| src//plinder/data/common/__init__.py | 0 | 0 | 0 | 0 | 100.0000% | |
| src//plinder/data/common/_version.py | 0 | 0 | 0 | 0 | 100.0000% | |
| src//plinder/data/common/constants.py | 3 | 3 | 0 | 0 | 0.0000% | 3-7 |
| src//plinder/data/common/log.py | 3 | 3 | 0 | 0 | 0.0000% | 3-7 |
| src//plinder/data/databases.py | 57 | 2 | 18 | 1 | 96.0000% | 137->148, 153-154 |
| src//plinder/data/docs.py | 57 | 0 | 18 | 1 | 98.6667% | 85->87 |
| src//plinder/data/final_structure_qc.py | 150 | 33 | 26 | 5 | 77.2727% | 45-47, 69-72, 114-123, 144-145, 147, 151-152, 154, 252-253, 280-283, 367-372 |
| src//plinder/data/get_system_annotations.py | 106 | 29 | 34 | 7 | 67.1429% | 59, 73-112, 141->145, 154->exit, 160, 162->exit, 169, 187-188 |
| src//plinder/data/leakage.py | 93 | 83 | 14 | 0 | 9.3458% | 14-15, 27-51, 59-90, 100-163, 177-229 |
| src//plinder/data/pipeline/__init__.py | 0 | 0 | 0 | 0 | 100.0000% | |
| src//plinder/data/pipeline/config.py | 117 | 3 | 22 | 3 | 95.6835% | 160, 183, 187 |
| src//plinder/data/pipeline/io.py | 275 | 60 | 78 | 11 | 74.7875% | 120-146, 270->278, 364->362, 434, 440, 445, 449, 471, 476-478, 503-508, 518-527, 550-579 |
| src//plinder/data/pipeline/mpqueue.py | 65 | 15 | 12 | 5 | 74.0260% | 27, 32-35, 51-56, 63->65, 80-85, 88->exit, 135->134 |
| src//plinder/data/pipeline/pipeline.py | 181 | 39 | 14 | 1 | 78.4615% | 52-56, 193, 246-249, 258-259, 263, 267-279, 285-288, 296-300, 304, 308-312, 316, 323-329, 333, 340-344, 348, 355-359, 368-373, 377-388, 392-393, 439-440 |
| src//plinder/data/pipeline/tasks.py | 379 | 149 | 110 | 8 | 56.8507% | 161, 174->177, 178-179, 218->227, 287-288, 297-298, 327-328, 372, 409-413, 424-427, 428->395, 466, 723-731, 737-738, 753-772, 793-812, 821-822, 844-864, 874-914, 922-923, 931-947, 955-977, 985-986, 999-1000, 1013, 1022-1028, 1044-1070, 1079-1090, 1101-1125 |
| src//plinder/data/pipeline/transform.py | 140 | 81 | 64 | 4 | 41.6667% | 26, 29-30, 34, 48, 126-170, 188-211, 235-320, 357 |
| src//plinder/data/pipeline/utils.py | 373 | 133 | 126 | 11 | 62.3246% | 50-53, 103-104, 142-143, 155-156, 165, 167->170, 171-172, 174-175, 206-207, 293, 324-331, 479-500, 509, 568->565, 590, 594->596, 605-610, 621-651, 662-686, 705-736, 751-752, 759-767, 780-797, 811-820 |
| src//plinder/data/save_linked_structures.py | 163 | 99 | 44 | 4 | 33.8164% | 23-32, 37-44, 70-108, 136-137, 148, 180->182, 187-188, 223-224, 236-246, 258-290, 301-327, 340-347, 383-385 |
| src//plinder/data/splits.py | 294 | 232 | 58 | 0 | 17.6136% | 121-126, 144-151, 155-162, 166-169, 191-199, 210-222, 243-332, 353-392, 416-466, 499-517, 559-617, 654-899, 909-968 |
| src//plinder/data/structure/__init__.py | 0 | 0 | 0 | 0 | 100.0000% | |
| src//plinder/data/structure/atoms.py | 3 | 3 | 0 | 0 | 0.0000% | 3-7 |
| src//plinder/data/structure/contacts.py | 3 | 3 | 0 | 0 | 0.0000% | 3-7 |
| src//plinder/data/utils/__init__.py | 0 | 0 | 0 | 0 | 100.0000% | |
| src//plinder/data/utils/annotations/__init__.py | 0 | 0 | 0 | 0 | 100.0000% | |
| src//plinder/data/utils/annotations/aggregate_annotations.py | 595 | 77 | 244 | 33 | 83.3135% | 238, 271-282, 289-296, 308, 316, 493, 506, 540, 553, 566, 594->592, 633-634, 665, 671, 679-683, 692-693, 711, 722, 734, 834->836, 938-939, 972->974, 976->980, 995->997, 1021->1033, 1068->1057, 1092, 1125-1139, 1142, 1147, 1150, 1185, 1277-1278, 1346-1347, 1359->exit, 1402, 1425, 1429, 1441-1452, 1461-1482 |
| src//plinder/data/utils/annotations/get_ligand_validation.py | 137 | 12 | 18 | 4 | 89.6774% | 66-70, 82, 123-127, 196, 307-308, 311, 338 |
| src//plinder/data/utils/annotations/get_similarity_scores.py | 519 | 404 | 234 | 8 | 18.1939% | 81-129, 133-136, 150, 207->220, 221, 227->230, 232, 233->230, 242-279, 312, 322-323, 365-375, 396-403, 412-497, 504-528, 533-596, 599-640, 643-650, 664-744, 755-809, 814-819, 824-900, 903-906, 909-918, 925-986, 991-1039 |
| src//plinder/data/utils/annotations/interaction_utils.py | 148 | 6 | 80 | 5 | 93.4211% | 109-110, 158-161, 213, 322, 351->359 |
| src//plinder/data/utils/annotations/interface_gap.py | 87 | 8 | 28 | 6 | 87.8261% | 53, 119, 128, 130, 166-169, 187-190 |
| src//plinder/data/utils/annotations/ligand_utils.py | 588 | 58 | 204 | 26 | 88.3838% | 175, 184, 199, 245-247, 285-290, 312->301, 320, 342, 344, 346, 349-352, 516-518, 562, 567, 593-594, 606-607, 618-619, 630-631, 643-644, 655-656, 886->891, 893-896, 928-931, 1017, 1141-1142, 1144, 1170->1172, 1237->1239, 1243, 1287, 1316-1323, 1332-1333, 1344-1345, 1435, 1472->1474, 1527->1531 |
| src//plinder/data/utils/annotations/mmpdb_utils.py | 124 | 66 | 12 | 0 | 42.6471% | 35, 47-165, 173-185, 404-413 |
| src//plinder/data/utils/annotations/protein_utils.py | 138 | 4 | 52 | 5 | 95.2632% | 61-62, 99->95, 153->155, 266, 337->339, 361, 388->387 |
| src//plinder/data/utils/annotations/rdkit_utils.py | 97 | 35 | 26 | 4 | 61.7886% | 76-77, 91-100, 107, 109-113, 124, 127->138, 134-135, 143-170 |
| src//plinder/data/utils/annotations/save_utils.py | 80 | 4 | 30 | 2 | 92.7273% | 88-90, 148 |
| src//plinder/data/utils/annotations/utils.py | 42 | 2 | 22 | 3 | 92.1875% | 31->33, 51, 53 |
| src//plinder/eval/__init__.py | 5 | 2 | 0 | 0 | 60.0000% | 7-8 |
| src//plinder/eval/docking/__init__.py | 0 | 0 | 0 | 0 | 100.0000% | |
| src//plinder/eval/docking/make_plots.py | 126 | 5 | 26 | 5 | 93.4211% | 79->82, 88-89, 123, 268, 279 |
| src//plinder/eval/docking/stratify_test_set.py | 150 | 17 | 46 | 13 | 83.6735% | 73->80, 116->122, 133-134, 139-141, 147, 225, 289->288, 314->288, 346-349, 351-354, 389-392, 444, 457 |
| src//plinder/eval/docking/utils.py | 226 | 19 | 70 | 14 | 88.1757% | 81, 226-242, 341->330, 348->394, 384-390, 394->399, 407, 412->410, 416, 427, 442, 446-448, 453, 482->485, 494->500, 501->486 |
| src//plinder/eval/docking/write_scores.py | 107 | 53 | 44 | 4 | 42.3841% | 53-76, 116-167, 209->214, 238-239, 243->242, 303, 321 |
| src//plinder/methods/__init__.py | 0 | 0 | 0 | 0 | 100.0000% | |
| TOTAL | 9215 | 2880 | 2794 | 357 | 65.6008% |
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