nmdc-runtime 2.6.0__py3-none-any.whl → 2.12.0__py3-none-any.whl

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (135) hide show
  1. nmdc_runtime/Dockerfile +177 -0
  2. nmdc_runtime/api/analytics.py +90 -0
  3. nmdc_runtime/api/boot/capabilities.py +9 -0
  4. nmdc_runtime/api/boot/object_types.py +126 -0
  5. nmdc_runtime/api/boot/triggers.py +84 -0
  6. nmdc_runtime/api/boot/workflows.py +116 -0
  7. nmdc_runtime/api/core/auth.py +212 -0
  8. nmdc_runtime/api/core/idgen.py +200 -0
  9. nmdc_runtime/api/core/metadata.py +777 -0
  10. nmdc_runtime/api/core/util.py +114 -0
  11. nmdc_runtime/api/db/mongo.py +436 -0
  12. nmdc_runtime/api/db/s3.py +37 -0
  13. nmdc_runtime/api/endpoints/capabilities.py +25 -0
  14. nmdc_runtime/api/endpoints/find.py +634 -0
  15. nmdc_runtime/api/endpoints/jobs.py +206 -0
  16. nmdc_runtime/api/endpoints/lib/helpers.py +274 -0
  17. nmdc_runtime/api/endpoints/lib/linked_instances.py +193 -0
  18. nmdc_runtime/api/endpoints/lib/path_segments.py +165 -0
  19. nmdc_runtime/api/endpoints/metadata.py +260 -0
  20. nmdc_runtime/api/endpoints/nmdcschema.py +515 -0
  21. nmdc_runtime/api/endpoints/object_types.py +38 -0
  22. nmdc_runtime/api/endpoints/objects.py +277 -0
  23. nmdc_runtime/api/endpoints/operations.py +78 -0
  24. nmdc_runtime/api/endpoints/queries.py +701 -0
  25. nmdc_runtime/api/endpoints/runs.py +98 -0
  26. nmdc_runtime/api/endpoints/search.py +38 -0
  27. nmdc_runtime/api/endpoints/sites.py +205 -0
  28. nmdc_runtime/api/endpoints/triggers.py +25 -0
  29. nmdc_runtime/api/endpoints/users.py +214 -0
  30. nmdc_runtime/api/endpoints/util.py +817 -0
  31. nmdc_runtime/api/endpoints/wf_file_staging.py +307 -0
  32. nmdc_runtime/api/endpoints/workflows.py +353 -0
  33. nmdc_runtime/api/entrypoint.sh +7 -0
  34. nmdc_runtime/api/main.py +495 -0
  35. nmdc_runtime/api/middleware.py +43 -0
  36. nmdc_runtime/api/models/capability.py +14 -0
  37. nmdc_runtime/api/models/id.py +92 -0
  38. nmdc_runtime/api/models/job.py +57 -0
  39. nmdc_runtime/api/models/lib/helpers.py +78 -0
  40. nmdc_runtime/api/models/metadata.py +11 -0
  41. nmdc_runtime/api/models/nmdc_schema.py +146 -0
  42. nmdc_runtime/api/models/object.py +180 -0
  43. nmdc_runtime/api/models/object_type.py +20 -0
  44. nmdc_runtime/api/models/operation.py +66 -0
  45. nmdc_runtime/api/models/query.py +246 -0
  46. nmdc_runtime/api/models/query_continuation.py +111 -0
  47. nmdc_runtime/api/models/run.py +161 -0
  48. nmdc_runtime/api/models/site.py +87 -0
  49. nmdc_runtime/api/models/trigger.py +13 -0
  50. nmdc_runtime/api/models/user.py +207 -0
  51. nmdc_runtime/api/models/util.py +260 -0
  52. nmdc_runtime/api/models/wfe_file_stages.py +122 -0
  53. nmdc_runtime/api/models/workflow.py +15 -0
  54. nmdc_runtime/api/openapi.py +178 -0
  55. nmdc_runtime/api/swagger_ui/assets/EllipsesButton.js +146 -0
  56. nmdc_runtime/api/swagger_ui/assets/EndpointSearchWidget.js +369 -0
  57. nmdc_runtime/api/swagger_ui/assets/script.js +252 -0
  58. nmdc_runtime/api/swagger_ui/assets/style.css +155 -0
  59. nmdc_runtime/api/swagger_ui/swagger_ui.py +34 -0
  60. nmdc_runtime/config.py +56 -1
  61. nmdc_runtime/minter/adapters/repository.py +22 -2
  62. nmdc_runtime/minter/config.py +2 -0
  63. nmdc_runtime/minter/domain/model.py +55 -1
  64. nmdc_runtime/minter/entrypoints/fastapi_app.py +1 -1
  65. nmdc_runtime/mongo_util.py +89 -0
  66. nmdc_runtime/site/backup/nmdcdb_mongodump.py +1 -1
  67. nmdc_runtime/site/backup/nmdcdb_mongoexport.py +1 -3
  68. nmdc_runtime/site/changesheets/data/OmicsProcessing-to-catted-Biosamples.tsv +1561 -0
  69. nmdc_runtime/site/changesheets/scripts/missing_neon_soils_ecosystem_data.py +311 -0
  70. nmdc_runtime/site/changesheets/scripts/neon_soils_add_ncbi_ids.py +210 -0
  71. nmdc_runtime/site/dagster.yaml +53 -0
  72. nmdc_runtime/site/entrypoint-daemon.sh +29 -0
  73. nmdc_runtime/site/entrypoint-dagit-readonly.sh +26 -0
  74. nmdc_runtime/site/entrypoint-dagit.sh +29 -0
  75. nmdc_runtime/site/export/ncbi_xml.py +731 -40
  76. nmdc_runtime/site/export/ncbi_xml_utils.py +142 -26
  77. nmdc_runtime/site/graphs.py +80 -29
  78. nmdc_runtime/site/ops.py +522 -183
  79. nmdc_runtime/site/repair/database_updater.py +210 -1
  80. nmdc_runtime/site/repository.py +108 -117
  81. nmdc_runtime/site/resources.py +72 -36
  82. nmdc_runtime/site/translation/gold_translator.py +22 -21
  83. nmdc_runtime/site/translation/neon_benthic_translator.py +1 -1
  84. nmdc_runtime/site/translation/neon_soil_translator.py +5 -5
  85. nmdc_runtime/site/translation/neon_surface_water_translator.py +1 -2
  86. nmdc_runtime/site/translation/submission_portal_translator.py +216 -69
  87. nmdc_runtime/site/translation/translator.py +64 -1
  88. nmdc_runtime/site/util.py +8 -3
  89. nmdc_runtime/site/validation/util.py +16 -12
  90. nmdc_runtime/site/workspace.yaml +13 -0
  91. nmdc_runtime/static/NMDC_logo.svg +1073 -0
  92. nmdc_runtime/static/ORCID-iD_icon_vector.svg +4 -0
  93. nmdc_runtime/static/README.md +5 -0
  94. nmdc_runtime/static/favicon.ico +0 -0
  95. nmdc_runtime/util.py +175 -348
  96. nmdc_runtime-2.12.0.dist-info/METADATA +45 -0
  97. nmdc_runtime-2.12.0.dist-info/RECORD +131 -0
  98. {nmdc_runtime-2.6.0.dist-info → nmdc_runtime-2.12.0.dist-info}/WHEEL +1 -2
  99. nmdc_runtime/containers.py +0 -14
  100. nmdc_runtime/core/db/Database.py +0 -15
  101. nmdc_runtime/core/exceptions/__init__.py +0 -23
  102. nmdc_runtime/core/exceptions/base.py +0 -47
  103. nmdc_runtime/core/exceptions/token.py +0 -13
  104. nmdc_runtime/domain/users/queriesInterface.py +0 -18
  105. nmdc_runtime/domain/users/userSchema.py +0 -37
  106. nmdc_runtime/domain/users/userService.py +0 -14
  107. nmdc_runtime/infrastructure/database/db.py +0 -3
  108. nmdc_runtime/infrastructure/database/models/user.py +0 -10
  109. nmdc_runtime/lib/__init__.py +0 -1
  110. nmdc_runtime/lib/extract_nmdc_data.py +0 -41
  111. nmdc_runtime/lib/load_nmdc_data.py +0 -121
  112. nmdc_runtime/lib/nmdc_dataframes.py +0 -829
  113. nmdc_runtime/lib/nmdc_etl_class.py +0 -402
  114. nmdc_runtime/lib/transform_nmdc_data.py +0 -1117
  115. nmdc_runtime/site/drsobjects/ingest.py +0 -93
  116. nmdc_runtime/site/drsobjects/registration.py +0 -131
  117. nmdc_runtime/site/translation/emsl.py +0 -43
  118. nmdc_runtime/site/translation/gold.py +0 -53
  119. nmdc_runtime/site/translation/jgi.py +0 -32
  120. nmdc_runtime/site/translation/util.py +0 -132
  121. nmdc_runtime/site/validation/jgi.py +0 -43
  122. nmdc_runtime-2.6.0.dist-info/METADATA +0 -199
  123. nmdc_runtime-2.6.0.dist-info/RECORD +0 -83
  124. nmdc_runtime-2.6.0.dist-info/top_level.txt +0 -1
  125. /nmdc_runtime/{client → api}/__init__.py +0 -0
  126. /nmdc_runtime/{core → api/boot}/__init__.py +0 -0
  127. /nmdc_runtime/{core/db → api/core}/__init__.py +0 -0
  128. /nmdc_runtime/{domain → api/db}/__init__.py +0 -0
  129. /nmdc_runtime/{domain/users → api/endpoints}/__init__.py +0 -0
  130. /nmdc_runtime/{infrastructure → api/endpoints/lib}/__init__.py +0 -0
  131. /nmdc_runtime/{infrastructure/database → api/models}/__init__.py +0 -0
  132. /nmdc_runtime/{infrastructure/database/models → api/models/lib}/__init__.py +0 -0
  133. /nmdc_runtime/{site/drsobjects/__init__.py → api/models/minter.py} +0 -0
  134. {nmdc_runtime-2.6.0.dist-info → nmdc_runtime-2.12.0.dist-info}/entry_points.txt +0 -0
  135. {nmdc_runtime-2.6.0.dist-info → nmdc_runtime-2.12.0.dist-info}/licenses/LICENSE +0 -0
@@ -4,8 +4,9 @@ import datetime
4
4
  import xml.etree.ElementTree as ET
5
5
  import xml.dom.minidom
6
6
 
7
- from typing import Any, List, Union
7
+ from typing import Any, List
8
8
  from urllib.parse import urlparse
9
+ from unidecode import unidecode
9
10
  from nmdc_runtime.site.export.ncbi_xml_utils import (
10
11
  handle_controlled_identified_term_value,
11
12
  handle_controlled_term_value,
@@ -16,7 +17,6 @@ from nmdc_runtime.site.export.ncbi_xml_utils import (
16
17
  handle_float_value,
17
18
  handle_string_value,
18
19
  load_mappings,
19
- validate_xml,
20
20
  )
21
21
 
22
22
 
@@ -27,7 +27,11 @@ class NCBISubmissionXML:
27
27
  self.nmdc_study_id = nmdc_study.get("id")
28
28
  self.nmdc_study_title = nmdc_study.get("title")
29
29
  self.nmdc_study_description = nmdc_study.get("description")
30
- self.ncbi_bioproject_id = nmdc_study.get("insdc_bioproject_identifiers")
30
+ # get the first INSDC BioProject ID from the NMDC study
31
+ self.ncbi_bioproject_id = nmdc_study.get("insdc_bioproject_identifiers")[0]
32
+ # the value asserted in "insdc_bioproject_identifiers" will be a CURIE, so extract
33
+ # everything after the prefix and delimiter (":")
34
+ self.ncbi_bioproject_id = self.ncbi_bioproject_id.split(":")[-1]
31
35
  self.nmdc_pi_email = nmdc_study.get("principal_investigator", {}).get("email")
32
36
  nmdc_study_pi_name = (
33
37
  nmdc_study.get("principal_investigator", {}).get("name").split()
@@ -159,16 +163,53 @@ class NCBISubmissionXML:
159
163
  org,
160
164
  bioproject_id,
161
165
  nmdc_biosamples,
166
+ pooled_biosamples_data=None,
162
167
  ):
163
168
  attribute_mappings, slot_range_mappings = load_mappings(
164
169
  self.nmdc_ncbi_attribute_mapping_file_url
165
170
  )
166
171
 
172
+ # Use provided pooling data or empty dict
173
+ pooling_data = pooled_biosamples_data or {}
174
+
175
+ # Group biosamples by pooling process
176
+ pooling_groups = {}
177
+ individual_biosamples = []
178
+
167
179
  for biosample in nmdc_biosamples:
180
+ pooling_info = pooling_data.get(biosample["id"], {})
181
+ if pooling_info and pooling_info.get("pooling_process_id"):
182
+ pooling_process_id = pooling_info["pooling_process_id"]
183
+ if pooling_process_id not in pooling_groups:
184
+ pooling_groups[pooling_process_id] = {
185
+ "biosamples": [],
186
+ "pooling_info": pooling_info,
187
+ }
188
+ pooling_groups[pooling_process_id]["biosamples"].append(biosample)
189
+ else:
190
+ individual_biosamples.append(biosample)
191
+
192
+ # Process pooled sample groups - create one <Action> block per pooling process
193
+ for pooling_process_id, group_data in pooling_groups.items():
194
+ self._create_pooled_biosample_action(
195
+ group_data["biosamples"],
196
+ group_data["pooling_info"],
197
+ organism_name,
198
+ org,
199
+ bioproject_id,
200
+ attribute_mappings,
201
+ slot_range_mappings,
202
+ )
203
+
204
+ # Process individual biosamples
205
+ for biosample in individual_biosamples:
168
206
  attributes = {}
169
207
  sample_id_value = None
170
208
  env_package = None
171
209
 
210
+ # Get pooling info for this specific biosample
211
+ pooling_info = pooling_data.get(biosample["id"], {})
212
+
172
213
  for json_key, value in biosample.items():
173
214
  if isinstance(value, list):
174
215
  for item in value:
@@ -187,15 +228,6 @@ class NCBISubmissionXML:
187
228
  attributes[xml_key] = value
188
229
  continue # Skip applying the handler to this key
189
230
 
190
- # Special handling for "host_taxid"
191
- if json_key == "host_taxid" and isinstance(value, dict):
192
- if "term" in value and "id" in value["term"]:
193
- value = re.findall(
194
- r"\d+", value["term"]["id"].split(":")[1]
195
- )[0]
196
- attributes[xml_key] = value
197
- continue # Skip applying the handler to this key
198
-
199
231
  formatted_value = handler(item)
200
232
 
201
233
  # Combine multiple values with a separator for list elements
@@ -210,7 +242,11 @@ class NCBISubmissionXML:
210
242
 
211
243
  # Special handling for NMDC Biosample "id"
212
244
  if json_key == "id":
213
- sample_id_value = value
245
+ # Use ProcessedSample ID if this is a pooled sample, otherwise use biosample ID
246
+ if pooling_info and pooling_info.get("processed_sample_id"):
247
+ sample_id_value = pooling_info["processed_sample_id"]
248
+ else:
249
+ sample_id_value = value
214
250
  continue
215
251
 
216
252
  if json_key not in attribute_mappings:
@@ -233,10 +269,39 @@ class NCBISubmissionXML:
233
269
  attributes[xml_key] = value
234
270
  continue # Skip applying the handler to this key
235
271
 
272
+ # Special handling for "geo_loc_name" - convert unicode to closest ASCII characters
273
+ if json_key == "geo_loc_name":
274
+ formatted_value = handler(value)
275
+ formatted_value_ascii = unidecode(formatted_value)
276
+ attributes[xml_key] = formatted_value_ascii
277
+ continue # Skip applying the handler to this key
278
+
236
279
  # Default processing for other keys
237
280
  formatted_value = handler(value)
238
281
  attributes[xml_key] = formatted_value
239
282
 
283
+ # Override with aggregated values for pooled samples
284
+ if pooling_info:
285
+ if pooling_info.get("aggregated_collection_date"):
286
+ # Find the mapping for collection_date
287
+ collection_date_key = attribute_mappings.get(
288
+ "collection_date", "collection_date"
289
+ )
290
+ attributes[collection_date_key] = pooling_info[
291
+ "aggregated_collection_date"
292
+ ]
293
+
294
+ if pooling_info.get("aggregated_depth"):
295
+ # Find the mapping for depth
296
+ depth_key = attribute_mappings.get("depth", "depth")
297
+ attributes[depth_key] = pooling_info["aggregated_depth"]
298
+
299
+ # Add samp_pooling attribute with semicolon-delimited biosample IDs
300
+ if pooling_info.get("pooled_biosample_ids"):
301
+ attributes["samp_pooling"] = ";".join(
302
+ pooling_info["pooled_biosample_ids"]
303
+ )
304
+
240
305
  biosample_elements = [
241
306
  self.set_element(
242
307
  "SampleId",
@@ -251,9 +316,54 @@ class NCBISubmissionXML:
251
316
  children=[
252
317
  self.set_element(
253
318
  "Title",
254
- f"NMDC Biosample {sample_id_value} from {organism_name}, part of {self.nmdc_study_id} study",
319
+ attributes.get(
320
+ "name",
321
+ # fallback title if "name" is not present
322
+ f"NMDC Biosample {sample_id_value} from {organism_name}, part of {self.nmdc_study_id} study",
323
+ ),
255
324
  ),
256
- ],
325
+ ]
326
+ + (
327
+ # Add external links for pooled samples
328
+ [
329
+ self.set_element(
330
+ "ExternalLink",
331
+ attrib={"label": "NMDC Processed Sample"},
332
+ children=[
333
+ self.set_element(
334
+ "URL",
335
+ f"https://bioregistry.io/{pooling_info['processed_sample_id']}",
336
+ )
337
+ ],
338
+ ),
339
+ self.set_element(
340
+ "ExternalLink",
341
+ attrib={"label": "NMDC Pooling Process"},
342
+ children=[
343
+ self.set_element(
344
+ "URL",
345
+ f"https://bioregistry.io/{pooling_info['pooling_process_id']}",
346
+ )
347
+ ],
348
+ ),
349
+ ]
350
+ if pooling_info
351
+ and pooling_info.get("processed_sample_id")
352
+ and pooling_info.get("pooling_process_id")
353
+ else [
354
+ # Add external link for individual biosamples
355
+ self.set_element(
356
+ "ExternalLink",
357
+ attrib={"label": sample_id_value},
358
+ children=[
359
+ self.set_element(
360
+ "URL",
361
+ f"https://bioregistry.io/{sample_id_value}",
362
+ )
363
+ ],
364
+ ),
365
+ ]
366
+ ),
257
367
  ),
258
368
  self.set_element(
259
369
  "Organism",
@@ -325,6 +435,248 @@ class NCBISubmissionXML:
325
435
  )
326
436
  self.root.append(action)
327
437
 
438
+ def _create_pooled_biosample_action(
439
+ self,
440
+ biosamples,
441
+ pooling_info,
442
+ organism_name,
443
+ org,
444
+ bioproject_id,
445
+ attribute_mappings,
446
+ slot_range_mappings,
447
+ ):
448
+ # Use the processed sample ID as the primary identifier
449
+ sample_id_value = pooling_info.get("processed_sample_id")
450
+ if not sample_id_value:
451
+ return
452
+
453
+ # Aggregate attributes from all biosamples in the pool
454
+ aggregated_attributes = {}
455
+ env_package = None
456
+
457
+ # Get title from the first biosample or use processed sample name
458
+ title = pooling_info.get(
459
+ "processed_sample_name", f"Pooled sample {sample_id_value}"
460
+ )
461
+
462
+ # Process each biosample to collect and aggregate attributes
463
+ for biosample in biosamples:
464
+ for json_key, value in biosample.items():
465
+ if json_key == "id":
466
+ continue
467
+
468
+ if json_key == "env_package":
469
+ env_package = f"MIMS.me.{handle_text_value(value)}.6.0"
470
+ continue
471
+
472
+ if isinstance(value, list):
473
+ for item in value:
474
+ if json_key not in attribute_mappings:
475
+ continue
476
+
477
+ xml_key = attribute_mappings[json_key]
478
+ value_type = slot_range_mappings.get(json_key, "string")
479
+ handler = self.type_handlers.get(
480
+ value_type, handle_string_value
481
+ )
482
+
483
+ # Special handling for "elev" key
484
+ if json_key == "elev":
485
+ value = f"{float(value)} m"
486
+ aggregated_attributes[xml_key] = value
487
+ continue
488
+
489
+ # Special handling for "host_taxid"
490
+ if json_key == "host_taxid" and isinstance(value, dict):
491
+ if "term" in value and "id" in value["term"]:
492
+ value = re.findall(
493
+ r"\d+", value["term"]["id"].split(":")[1]
494
+ )[0]
495
+ aggregated_attributes[xml_key] = value
496
+ continue
497
+
498
+ formatted_value = handler(item)
499
+
500
+ # For pooled samples, we typically want the first value or aggregate appropriately
501
+ if xml_key not in aggregated_attributes:
502
+ aggregated_attributes[xml_key] = formatted_value
503
+ continue
504
+
505
+ if json_key not in attribute_mappings:
506
+ continue
507
+
508
+ xml_key = attribute_mappings[json_key]
509
+ value_type = slot_range_mappings.get(json_key, "string")
510
+ handler = self.type_handlers.get(value_type, handle_string_value)
511
+
512
+ # Special handling for "elev" key
513
+ if json_key == "elev":
514
+ value = f"{float(value)} m"
515
+ aggregated_attributes[xml_key] = value
516
+ continue
517
+
518
+ # Special handling for "host_taxid"
519
+ if json_key == "host_taxid" and isinstance(value, dict):
520
+ if "term" in value and "id" in value["term"]:
521
+ value = re.findall(r"\d+", value["term"]["id"].split(":")[1])[0]
522
+ aggregated_attributes[xml_key] = value
523
+ continue
524
+
525
+ formatted_value = handler(value)
526
+
527
+ # For pooled samples, we typically want the first value or aggregate appropriately
528
+ if xml_key not in aggregated_attributes:
529
+ aggregated_attributes[xml_key] = formatted_value
530
+
531
+ # Override with aggregated values for pooled samples
532
+ if pooling_info.get("aggregated_collection_date"):
533
+ collection_date_key = attribute_mappings.get(
534
+ "collection_date", "collection_date"
535
+ )
536
+ aggregated_attributes[collection_date_key] = pooling_info[
537
+ "aggregated_collection_date"
538
+ ]
539
+
540
+ if pooling_info.get("aggregated_depth"):
541
+ depth_key = attribute_mappings.get("depth", "depth")
542
+ aggregated_attributes[depth_key] = pooling_info["aggregated_depth"]
543
+
544
+ # Add samp_pooling attribute with semicolon-delimited biosample IDs
545
+ if pooling_info.get("pooled_biosample_ids"):
546
+ aggregated_attributes["samp_pooling"] = ";".join(
547
+ pooling_info["pooled_biosample_ids"]
548
+ )
549
+
550
+ # Filter attributes to only include the ones from neon_soil_example.xml for pooled samples
551
+ allowed_attributes = {
552
+ "collection_date",
553
+ "depth",
554
+ "elev",
555
+ "geo_loc_name",
556
+ "lat_lon",
557
+ "env_broad_scale",
558
+ "env_local_scale",
559
+ "env_medium",
560
+ "samp_pooling",
561
+ }
562
+ filtered_attributes = {
563
+ k: v for k, v in aggregated_attributes.items() if k in allowed_attributes
564
+ }
565
+
566
+ biosample_elements = [
567
+ self.set_element(
568
+ "SampleId",
569
+ children=[
570
+ self.set_element("SPUID", sample_id_value, {"spuid_namespace": org})
571
+ ],
572
+ ),
573
+ self.set_element(
574
+ "Descriptor",
575
+ children=[
576
+ self.set_element("Title", title),
577
+ self.set_element(
578
+ "ExternalLink",
579
+ attrib={"label": sample_id_value},
580
+ children=[
581
+ self.set_element(
582
+ "URL",
583
+ f"https://bioregistry.io/{sample_id_value}",
584
+ )
585
+ ],
586
+ ),
587
+ self.set_element(
588
+ "ExternalLink",
589
+ attrib={"label": pooling_info["pooling_process_id"]},
590
+ children=[
591
+ self.set_element(
592
+ "URL",
593
+ f"https://bioregistry.io/{pooling_info['pooling_process_id']}",
594
+ )
595
+ ],
596
+ ),
597
+ ]
598
+ + [
599
+ self.set_element(
600
+ "ExternalLink",
601
+ attrib={"label": biosample_id},
602
+ children=[
603
+ self.set_element(
604
+ "URL",
605
+ f"https://bioregistry.io/{biosample_id}",
606
+ )
607
+ ],
608
+ )
609
+ for biosample_id in pooling_info.get("pooled_biosample_ids", [])
610
+ ],
611
+ ),
612
+ self.set_element(
613
+ "Organism",
614
+ children=[self.set_element("OrganismName", organism_name)],
615
+ ),
616
+ self.set_element(
617
+ "BioProject",
618
+ children=[
619
+ self.set_element("PrimaryId", bioproject_id, {"db": "BioProject"})
620
+ ],
621
+ ),
622
+ self.set_element("Package", env_package),
623
+ self.set_element(
624
+ "Attributes",
625
+ children=[
626
+ self.set_element(
627
+ "Attribute", filtered_attributes[key], {"attribute_name": key}
628
+ )
629
+ for key in sorted(filtered_attributes)
630
+ ]
631
+ + [
632
+ self.set_element(
633
+ "Attribute",
634
+ "National Microbiome Data Collaborative",
635
+ {"attribute_name": "broker name"},
636
+ )
637
+ ],
638
+ ),
639
+ ]
640
+
641
+ action = self.set_element(
642
+ "Action",
643
+ children=[
644
+ self.set_element(
645
+ "AddData",
646
+ attrib={"target_db": "BioSample"},
647
+ children=[
648
+ self.set_element(
649
+ "Data",
650
+ attrib={"content_type": "XML"},
651
+ children=[
652
+ self.set_element(
653
+ "XmlContent",
654
+ children=[
655
+ self.set_element(
656
+ "BioSample",
657
+ attrib={"schema_version": "2.0"},
658
+ children=biosample_elements,
659
+ ),
660
+ ],
661
+ ),
662
+ ],
663
+ ),
664
+ self.set_element(
665
+ "Identifier",
666
+ children=[
667
+ self.set_element(
668
+ "SPUID",
669
+ sample_id_value,
670
+ {"spuid_namespace": org},
671
+ ),
672
+ ],
673
+ ),
674
+ ],
675
+ ),
676
+ ],
677
+ )
678
+ self.root.append(action)
679
+
328
680
  def set_fastq(
329
681
  self,
330
682
  biosample_data_objects: list,
@@ -334,12 +686,57 @@ class NCBISubmissionXML:
334
686
  nmdc_biosamples: list,
335
687
  nmdc_library_preparation: list,
336
688
  all_instruments: dict,
689
+ pooled_biosamples_data=None,
337
690
  ):
338
691
  bsm_id_name_dict = {
339
692
  biosample["id"]: biosample["name"] for biosample in nmdc_biosamples
340
693
  }
341
694
 
695
+ # Use provided pooling data or empty dict
696
+ pooling_data = pooled_biosamples_data or {}
697
+
698
+ # Group data objects by pooling process
699
+ pooling_groups = {}
700
+ individual_entries = []
701
+
342
702
  for entry in biosample_data_objects:
703
+ pooling_process_id = None
704
+ # Check if any biosample in this entry belongs to a pooling process
705
+ for biosample_id in entry.keys():
706
+ pooling_info = pooling_data.get(biosample_id, {})
707
+ if pooling_info and pooling_info.get("pooling_process_id"):
708
+ pooling_process_id = pooling_info["pooling_process_id"]
709
+ break
710
+
711
+ if pooling_process_id:
712
+ if pooling_process_id not in pooling_groups:
713
+ pooling_groups[pooling_process_id] = {
714
+ "entries": [],
715
+ "processed_sample_id": pooling_info.get("processed_sample_id"),
716
+ "processed_sample_name": pooling_info.get(
717
+ "processed_sample_name", ""
718
+ ),
719
+ }
720
+ pooling_groups[pooling_process_id]["entries"].append(entry)
721
+ else:
722
+ individual_entries.append(entry)
723
+
724
+ # Process pooled entries - create one SRA <Action> block per pooling process
725
+ for pooling_process_id, group_data in pooling_groups.items():
726
+ self._create_pooled_sra_action(
727
+ group_data["entries"],
728
+ group_data["processed_sample_id"],
729
+ group_data["processed_sample_name"],
730
+ bioproject_id,
731
+ org,
732
+ nmdc_nucleotide_sequencing,
733
+ nmdc_library_preparation,
734
+ all_instruments,
735
+ bsm_id_name_dict,
736
+ )
737
+
738
+ # Process individual entries
739
+ for entry in individual_entries:
343
740
  fastq_files = []
344
741
  biosample_ids = []
345
742
  nucleotide_sequencing_ids = {}
@@ -524,6 +921,7 @@ class NCBISubmissionXML:
524
921
  )
525
922
  )
526
923
 
924
+ # Add library_name attribute
527
925
  if library_name:
528
926
  sra_attributes.append(
529
927
  self.set_element(
@@ -569,6 +967,233 @@ class NCBISubmissionXML:
569
967
 
570
968
  self.root.append(action)
571
969
 
970
+ def _create_pooled_sra_action(
971
+ self,
972
+ entries,
973
+ processed_sample_id,
974
+ processed_sample_name,
975
+ bioproject_id,
976
+ org,
977
+ nmdc_nucleotide_sequencing,
978
+ nmdc_library_preparation,
979
+ all_instruments,
980
+ bsm_id_name_dict,
981
+ ):
982
+ if not processed_sample_id:
983
+ return
984
+
985
+ # Collect all fastq files from all entries
986
+ all_fastq_files = set()
987
+ all_biosample_ids = set()
988
+ nucleotide_sequencing_ids = {}
989
+ lib_prep_protocol_names = {}
990
+ analyte_category = ""
991
+ instrument_vendor = ""
992
+ instrument_model = ""
993
+
994
+ for entry in entries:
995
+ for biosample_id, data_objects in entry.items():
996
+ all_biosample_ids.add(biosample_id)
997
+ for data_object in data_objects:
998
+ if "url" in data_object:
999
+ url = urlparse(data_object["url"])
1000
+ file_path = os.path.basename(url.path)
1001
+ all_fastq_files.add(file_path)
1002
+
1003
+ # Get nucleotide sequencing info
1004
+ for ntseq_dict in nmdc_nucleotide_sequencing:
1005
+ if biosample_id in ntseq_dict:
1006
+ for ntseq in ntseq_dict[biosample_id]:
1007
+ nucleotide_sequencing_ids[biosample_id] = ntseq.get(
1008
+ "id", ""
1009
+ )
1010
+ instrument_used = ntseq.get("instrument_used", [])
1011
+ if instrument_used:
1012
+ instrument_id = instrument_used[0]
1013
+ instrument = all_instruments.get(instrument_id, {})
1014
+ instrument_vendor = instrument.get("vendor", "")
1015
+ instrument_model = instrument.get("model", "")
1016
+ analyte_category = ntseq.get("analyte_category", "")
1017
+
1018
+ # Get library preparation info
1019
+ for lib_prep_dict in nmdc_library_preparation:
1020
+ if biosample_id in lib_prep_dict:
1021
+ lib_prep_protocol_names[biosample_id] = (
1022
+ lib_prep_dict[biosample_id]
1023
+ .get("protocol_link", {})
1024
+ .get("name", "")
1025
+ )
1026
+
1027
+ if all_fastq_files:
1028
+ files_elements = [
1029
+ self.set_element(
1030
+ "File",
1031
+ "",
1032
+ {"file_path": f},
1033
+ [
1034
+ self.set_element(
1035
+ "DataType",
1036
+ "sra-run-fastq" if ".fastq" in f else "generic-data",
1037
+ )
1038
+ ],
1039
+ )
1040
+ for f in sorted(all_fastq_files)
1041
+ ]
1042
+
1043
+ attribute_elements = [
1044
+ self.set_element(
1045
+ "AttributeRefId",
1046
+ attrib={"name": "BioProject"},
1047
+ children=[
1048
+ self.set_element(
1049
+ "RefId",
1050
+ children=[
1051
+ self.set_element(
1052
+ "PrimaryId",
1053
+ bioproject_id,
1054
+ {"db": "BioProject"},
1055
+ )
1056
+ ],
1057
+ )
1058
+ ],
1059
+ ),
1060
+ # Reference the processed sample, not individual biosamples
1061
+ self.set_element(
1062
+ "AttributeRefId",
1063
+ attrib={"name": "BioSample"},
1064
+ children=[
1065
+ self.set_element(
1066
+ "RefId",
1067
+ children=[
1068
+ self.set_element(
1069
+ "SPUID",
1070
+ processed_sample_id,
1071
+ {"spuid_namespace": org},
1072
+ )
1073
+ ],
1074
+ )
1075
+ ],
1076
+ ),
1077
+ ]
1078
+
1079
+ sra_attributes = []
1080
+ if instrument_vendor == "illumina":
1081
+ sra_attributes.append(
1082
+ self.set_element("Attribute", "ILLUMINA", {"name": "platform"})
1083
+ )
1084
+ if instrument_model == "nextseq_550":
1085
+ sra_attributes.append(
1086
+ self.set_element(
1087
+ "Attribute", "NextSeq 550", {"name": "instrument_model"}
1088
+ )
1089
+ )
1090
+ elif instrument_model == "novaseq_6000":
1091
+ sra_attributes.append(
1092
+ self.set_element(
1093
+ "Attribute",
1094
+ "NovaSeq 6000",
1095
+ {"name": "instrument_model"},
1096
+ )
1097
+ )
1098
+ elif instrument_model == "hiseq":
1099
+ sra_attributes.append(
1100
+ self.set_element(
1101
+ "Attribute", "HiSeq", {"name": "instrument_model"}
1102
+ )
1103
+ )
1104
+
1105
+ if analyte_category == "metagenome":
1106
+ sra_attributes.append(
1107
+ self.set_element("Attribute", "WGS", {"name": "library_strategy"})
1108
+ )
1109
+ sra_attributes.append(
1110
+ self.set_element(
1111
+ "Attribute", "METAGENOMIC", {"name": "library_source"}
1112
+ )
1113
+ )
1114
+ sra_attributes.append(
1115
+ self.set_element(
1116
+ "Attribute", "RANDOM", {"name": "library_selection"}
1117
+ )
1118
+ )
1119
+ elif analyte_category == "metatranscriptome":
1120
+ sra_attributes.append(
1121
+ self.set_element(
1122
+ "Attribute",
1123
+ "METATRANSCRIPTOMIC",
1124
+ {"name": "library_source"},
1125
+ )
1126
+ )
1127
+
1128
+ # Determine library layout based on file patterns
1129
+ has_paired_reads = any(
1130
+ "_R1" in f and "_R2" in f.replace("_R1", "_R2") in all_fastq_files
1131
+ for f in all_fastq_files
1132
+ if "_R1" in f
1133
+ )
1134
+
1135
+ if has_paired_reads:
1136
+ sra_attributes.append(
1137
+ self.set_element("Attribute", "paired", {"name": "library_layout"})
1138
+ )
1139
+ else:
1140
+ sra_attributes.append(
1141
+ self.set_element("Attribute", "single", {"name": "library_layout"})
1142
+ )
1143
+
1144
+ # Add library_name attribute using ProcessedSample name
1145
+ if processed_sample_name:
1146
+ sra_attributes.append(
1147
+ self.set_element(
1148
+ "Attribute", processed_sample_name, {"name": "library_name"}
1149
+ )
1150
+ )
1151
+
1152
+ # Add library construction protocol from any of the biosamples
1153
+ for biosample_id, lib_prep_name in lib_prep_protocol_names.items():
1154
+ if lib_prep_name:
1155
+ sra_attributes.append(
1156
+ self.set_element(
1157
+ "Attribute",
1158
+ lib_prep_name,
1159
+ {"name": "library_construction_protocol"},
1160
+ )
1161
+ )
1162
+ break # Only add one protocol name
1163
+
1164
+ # Use the first nucleotide sequencing ID as the identifier
1165
+ omics_processing_id = None
1166
+ for biosample_id, seq_id in nucleotide_sequencing_ids.items():
1167
+ if seq_id:
1168
+ omics_processing_id = seq_id
1169
+ break
1170
+
1171
+ if omics_processing_id:
1172
+ identifier_element = self.set_element(
1173
+ "Identifier",
1174
+ children=[
1175
+ self.set_element(
1176
+ "SPUID", omics_processing_id, {"spuid_namespace": org}
1177
+ )
1178
+ ],
1179
+ )
1180
+
1181
+ action = self.set_element(
1182
+ "Action",
1183
+ children=[
1184
+ self.set_element(
1185
+ "AddFiles",
1186
+ attrib={"target_db": "SRA"},
1187
+ children=files_elements
1188
+ + attribute_elements
1189
+ + sra_attributes
1190
+ + [identifier_element],
1191
+ ),
1192
+ ],
1193
+ )
1194
+
1195
+ self.root.append(action)
1196
+
572
1197
  def get_submission_xml(
573
1198
  self,
574
1199
  biosamples_list: list,
@@ -576,19 +1201,47 @@ class NCBISubmissionXML:
576
1201
  biosample_data_objects_list: list,
577
1202
  biosample_library_preparation_list: list,
578
1203
  instruments_dict: dict,
1204
+ pooled_biosamples_data=None,
579
1205
  ):
580
- data_type = None
581
- ncbi_project_id = None
1206
+ # data_type = None
1207
+
1208
+ biosamples_to_exclude = set()
582
1209
  for bsm_ntseq in biosample_nucleotide_sequencing_list:
583
- for _, ntseq_list in bsm_ntseq.items():
1210
+ for bsm_id, ntseq_list in bsm_ntseq.items():
1211
+ # Check if any processing_institution is "JGI"
584
1212
  for ntseq in ntseq_list:
585
- if "analyte_category" in ntseq:
586
- data_type = handle_string_value(
587
- ntseq["analyte_category"]
588
- ).capitalize()
589
-
590
- if "ncbi_project_name" in ntseq:
591
- ncbi_project_id = ntseq["ncbi_project_name"]
1213
+ if (
1214
+ "processing_institution" in ntseq
1215
+ and ntseq["processing_institution"] == "JGI"
1216
+ ):
1217
+ biosamples_to_exclude.add(bsm_id)
1218
+ break
1219
+
1220
+ # Filter biosample_nucleotide_sequencing_list to exclude JGI records
1221
+ filtered_nucleotide_sequencing_list = []
1222
+ for bsm_ntseq in biosample_nucleotide_sequencing_list:
1223
+ filtered_dict = {}
1224
+ for bsm_id, ntseq_list in bsm_ntseq.items():
1225
+ if bsm_id not in biosamples_to_exclude:
1226
+ filtered_dict[bsm_id] = ntseq_list
1227
+ if filtered_dict: # Only add non-empty dictionaries
1228
+ filtered_nucleotide_sequencing_list.append(filtered_dict)
1229
+
1230
+ # Filter biosamples_list to exclude JGI-processed biosamples
1231
+ filtered_biosamples_list = [
1232
+ biosample
1233
+ for biosample in biosamples_list
1234
+ if biosample.get("id") not in biosamples_to_exclude
1235
+ ]
1236
+
1237
+ # Get data_type from filtered list
1238
+ # for bsm_ntseq in filtered_nucleotide_sequencing_list:
1239
+ # for _, ntseq_list in bsm_ntseq.items():
1240
+ # for ntseq in ntseq_list:
1241
+ # if "analyte_category" in ntseq:
1242
+ # data_type = handle_string_value(
1243
+ # ntseq["analyte_category"]
1244
+ # ).capitalize()
592
1245
 
593
1246
  self.set_description(
594
1247
  email=self.nmdc_pi_email,
@@ -597,30 +1250,68 @@ class NCBISubmissionXML:
597
1250
  org=self.ncbi_submission_metadata.get("organization", ""),
598
1251
  )
599
1252
 
600
- if not ncbi_project_id:
601
- self.set_bioproject(
602
- title=self.nmdc_study_title,
603
- project_id=ncbi_project_id,
604
- description=self.nmdc_study_description,
605
- data_type=data_type,
606
- org=self.ncbi_submission_metadata.get("organization", ""),
607
- )
1253
+ # if not self.ncbi_bioproject_id:
1254
+ # self.set_bioproject(
1255
+ # title=self.nmdc_study_title,
1256
+ # project_id=self.ncbi_bioproject_id,
1257
+ # description=self.nmdc_study_description,
1258
+ # data_type=data_type,
1259
+ # org=self.ncbi_submission_metadata.get("organization", ""),
1260
+ # )
608
1261
 
609
1262
  self.set_biosample(
610
1263
  organism_name=self.ncbi_biosample_metadata.get("organism_name", ""),
611
1264
  org=self.ncbi_submission_metadata.get("organization", ""),
612
- bioproject_id=ncbi_project_id,
613
- nmdc_biosamples=biosamples_list,
1265
+ bioproject_id=self.ncbi_bioproject_id,
1266
+ nmdc_biosamples=filtered_biosamples_list,
1267
+ pooled_biosamples_data=pooled_biosamples_data,
614
1268
  )
615
1269
 
1270
+ # Also filter biosample_data_objects_list
1271
+ filtered_data_objects_list = []
1272
+ acceptable_extensions = [".fastq.gz", ".fastq"]
1273
+
1274
+ for entry in biosample_data_objects_list:
1275
+ filtered_entry = {}
1276
+ for biosample_id, data_objects in entry.items():
1277
+ if biosample_id not in biosamples_to_exclude:
1278
+ # filter data_objects based on acceptable/allowed extensions
1279
+ # for "url" key in data_object
1280
+ filtered_objects = []
1281
+ for data_object in data_objects:
1282
+ if "url" in data_object:
1283
+ url = urlparse(data_object["url"])
1284
+ file_path = os.path.basename(url.path)
1285
+ if any(
1286
+ file_path.endswith(ext) for ext in acceptable_extensions
1287
+ ):
1288
+ filtered_objects.append(data_object)
1289
+
1290
+ if filtered_objects:
1291
+ filtered_entry[biosample_id] = filtered_objects
1292
+
1293
+ if filtered_entry: # Only add non-empty entries
1294
+ filtered_data_objects_list.append(filtered_entry)
1295
+
1296
+ # Filter library preparation list as well
1297
+ filtered_library_preparation_list = []
1298
+ for lib_prep_dict in biosample_library_preparation_list:
1299
+ filtered_lib_prep = {}
1300
+ for biosample_id, lib_prep in lib_prep_dict.items():
1301
+ if biosample_id not in biosamples_to_exclude:
1302
+ filtered_lib_prep[biosample_id] = lib_prep
1303
+ if filtered_lib_prep: # Only add non-empty entries
1304
+ filtered_library_preparation_list.append(filtered_lib_prep)
1305
+
616
1306
  self.set_fastq(
617
- biosample_data_objects=biosample_data_objects_list,
618
- bioproject_id=ncbi_project_id,
1307
+ biosample_data_objects=filtered_data_objects_list,
1308
+ bioproject_id=self.ncbi_bioproject_id,
619
1309
  org=self.ncbi_submission_metadata.get("organization", ""),
620
- nmdc_nucleotide_sequencing=biosample_nucleotide_sequencing_list,
621
- nmdc_biosamples=biosamples_list,
622
- nmdc_library_preparation=biosample_library_preparation_list,
1310
+ nmdc_nucleotide_sequencing=filtered_nucleotide_sequencing_list,
1311
+ nmdc_biosamples=filtered_biosamples_list,
1312
+ nmdc_library_preparation=filtered_library_preparation_list,
623
1313
  all_instruments=instruments_dict,
1314
+ pooled_biosamples_data=pooled_biosamples_data,
624
1315
  )
625
1316
 
626
1317
  rough_string = ET.tostring(self.root, "unicode")