fix: Use of latest reference files

xchem · Jan 15, 2025 · 2cf1323 · 2cf1323
1 parent b9ab5cb
commit 2cf1323
Show file tree

Hide file tree

Showing 2 changed files with 9 additions and 9 deletions.
diff --git a/behaviour/features/public-target-loader.feature b/behaviour/features/public-target-loader.feature
@@ -47,6 +47,6 @@ Feature: Verify good Targets can be loaded against the public TAS
     Then the length of the list in the response should be 1
 
     Examples: Experiment files and Targets
-    | tgz                                 | target    | upload timeout | upload count |
-    | lb32627-66_v2.2_upload_1_2024-12_09 | A71EV2A   | 6  | 1 |
-    | lb32633-6_v2.2_upload_1_2024-11-22  | CHIKV_Mac | 14 | 2 |
+    | tgz | target | upload timeout | upload count |
+    | lb32627-66_v2_upload_1_2024-12-09_2025-01-15 | A71EV2A   |  6 | 1 |
+    | lb32633-6_v2.2_upload_1_2024-11-22           | CHIKV_Mac | 14 | 2 |
diff --git a/behaviour/features/squonk2-basic-job-execution.feature b/behaviour/features/squonk2-basic-job-execution.feature
@@ -43,7 +43,7 @@ Feature: Verify a fragalysis stack can run Squonk Jobs against public Targets
   Scenario: Load A71EV2A Target data against lb18145-1
     Given I do not login
     And I can access the "fragalysis-stack-xchem-data" bucket
-    When I get the TGZ encoded file lb32627-66_v2.2_upload_1_2024-12_09 from the bucket
+    When I get the TGZ encoded file lb32627-66_v2_upload_1_2024-12-09_2025-01-15 from the bucket
     And I login
     And I load the file against target access string "lb18145-1"
     Then the response should be ACCEPTED
@@ -73,8 +73,8 @@ Feature: Verify a fragalysis stack can run Squonk Jobs against public Targets
           "target_loader_data/A71EV2A_lb18145-1/upload_1/aligned_files/A71EV2A-x0152/A71EV2A-x0152_A_201_1_A71EV2A-x3977+A+202+1_apo-desolv.pdb",
         ],
         "compounds": [
-          "target_loader_data/A71EV2A_lb18145-1/upload_1/aligned_files/A71EV2A-x0202/A71EV2A-x0202_A_147_1_A71EV2A-x3977+A+202+1_ligand_LIG.mol",
-          "target_loader_data/A71EV2A_lb18145-1/upload_1/aligned_files/A71EV2A-x0202/A71EV2A-x0202_A_201_1_A71EV2A-x0488+A+147+1_ligand_LIG.mol",
+          "target_loader_data/A71EV2A_lb18145-1/upload_1/aligned_files/A71EV2A-x0202/A71EV2A-x0202_A_147_1_A71EV2A-x3977+A+202+1_ligand.mol",
+          "target_loader_data/A71EV2A_lb18145-1/upload_1/aligned_files/A71EV2A-x0202/A71EV2A-x0202_A_201_1_A71EV2A-x0488+A+147+1_ligand.mol",
         ],
       }
       """
@@ -101,11 +101,11 @@ Feature: Verify a fragalysis stack can run Squonk Jobs against public Targets
             "smilesFieldName": "original SMILES",
             "fragIdField": "_Name",
             "proteinFieldName": "ref_pdb",
-            "proteinFieldValue": "A71EV2A",
+            "proteinFieldValue": "A0152b",
             "protein": "fragalysis-files/{SUB_PATH}/A71EV2A-x0152_A_201_1_A71EV2A-x3977+A+202+1_apo-desolv.pdb",
             "fragments": [
-              "fragalysis-files/{SUB_PATH}/A71EV2A-x0202_A_147_1_A71EV2A-x3977+A+202+1_ligand_LIG.mol",
-              "fragalysis-files/{SUB_PATH}/A71EV2A-x0202_A_201_1_A71EV2A-x0488+A+147+1_ligand_LIG.mol",
+              "fragalysis-files/{SUB_PATH}/A71EV2A-x0202_A_147_1_A71EV2A-x3977+A+202+1_ligand.mol",
+              "fragalysis-files/{SUB_PATH}/A71EV2A-x0202_A_201_1_A71EV2A-x0488+A+147+1_ligand.mol",
             ],
           },
         }