feat: add canonicalize_substrates field to Job model and admin

Author: saleha1wer

api/admin.py

@@ -140,12 +140,22 @@ class JobAdmin(admin.ModelAdmin):
         "public_id",
         "user_ip",
         "prediction_type",
+        "kcat_method",
+        "km_method",
+        "canonicalize_substrates",
         "status",
         "submission_time",
         "requested_rows",
         "download_links",
     ]
-    list_filter = ["status", "prediction_type", "submission_time"]
+    list_filter = [
+        "status",
+        "prediction_type",
+        "kcat_method",
+        "km_method",
+        "canonicalize_substrates",
+        "submission_time",
+    ]
     search_fields = ["public_id", "ip_address", "user__ip_address"]
     readonly_fields = ["public_id", "submission_time", "download_links"]
 

api/migrations/0015_job_canonicalize_substrates.py

@@ -0,0 +1,16 @@
+from django.db import migrations, models
+
+
+class Migration(migrations.Migration):
+
+    dependencies = [
+        ("api", "0014_job_kcat_km_method_and_prediction_type_length"),
+    ]
+
+    operations = [
+        migrations.AddField(
+            model_name="job",
+            name="canonicalize_substrates",
+            field=models.BooleanField(default=True),
+        ),
+    ]

api/models.py

@@ -69,6 +69,7 @@ class Job(models.Model):
             ("skip", "skip"),
         ],
     )
+    canonicalize_substrates = models.BooleanField(default=True)
 
     total_molecules = models.IntegerField(default=0)
     molecules_processed = models.IntegerField(default=0)

api/services/job_service.py

@@ -210,6 +210,7 @@ def create_job_record(
         kcat_method=params["methods"].get("kcat"),
         km_method=params["methods"].get("Km"),
         kcat_km_method=params["methods"].get("kcat/Km"),
+        canonicalize_substrates=params.get("canonicalize_substrates", True),
         status="Pending",
         handle_long_sequences=params["handle_long_sequences"],
         ip_address=ip_address,