fix: ComputedSet method now 50 characters (and better ComputedMolecul…

…e identifier)

viewer/cset_upload.py

@@ -473,7 +473,7 @@ def task(self) -> ComputedSet:
         truncated_submitter_method: str = 'unspecified'
         if self.submitter_method:
             truncated_submitter_method = self.submitter_method[
-                : ComputedSet.LENGTH_METHOD_NAME
+                : ComputedSet.LENGTH_METHOD_IN_NAME
             ]
             if len(self.submitter_method) > len(truncated_submitter_method):
                 logger.warning(
@@ -522,7 +522,7 @@ def task(self) -> ComputedSet:
         computed_set.name = cs_name
         computed_set.md_ordinal = new_ordinal
         computed_set.upload_date = today
-        computed_set.method = truncated_submitter_method
+        computed_set.method = self.submitter_method[: ComputedSet.LENGTH_METHOD]
         computed_set.target = Target.objects.get(title=self.target)
         computed_set.spec_version = float(self.version.strip('ver_'))
         if self.user_id:

viewer/migrations/0025_increase_length_of_computedset_method.py

@@ -0,0 +1,36 @@
+# Generated by Django 3.2.23 on 2023-12-19 14:31
+
+import shortuuid.django_fields
+from django.db import migrations, models
+
+
+class Migration(migrations.Migration):
+    dependencies = [
+        ('viewer', '0024_modified_computedset'),
+    ]
+
+    operations = [
+        migrations.AlterField(
+            model_name='computedset',
+            name='method',
+            field=models.CharField(
+                blank=True,
+                help_text='The name of the algorithmic method used to generate the compounds (e.g. Fragmenstein)',
+                max_length=50,
+                null=True,
+            ),
+        ),
+        migrations.AlterField(
+            model_name='computedmolecule',
+            name='identifier',
+            field=shortuuid.django_fields.ShortUUIDField(
+                alphabet='ACDEFGHJKLMNPRSTUVWXYZ345679',
+                blank=True,
+                help_text="A four character string of non-confusing uppercase letters and digits for easy reference. This is combined with the Target to form the ComputedMolecule's name",
+                length=4,
+                max_length=4,
+                null=True,
+                prefix='',
+            ),
+        ),
+    ]

viewer/models.py

@@ -791,10 +791,12 @@ class ComputedSet(models.Model):
     )
 
     LENGTH_SUBMITTER_NAME: int = 50
-    LENGTH_METHOD_NAME: int = 20
+    LENGTH_METHOD: int = 50
     LENGTH_METHOD_URL: int = 1000
     LENGTH_SUBMITTED_SDF: int = 255
 
+    LENGTH_METHOD_IN_NAME: int = 20
+
     name = models.CharField(max_length=50, unique=True, primary_key=True)
     target = models.ForeignKey(Target, null=True, on_delete=models.CASCADE)
     submitted_sdf = models.FileField(
@@ -820,7 +822,7 @@ class ComputedSet(models.Model):
         ComputedSetSubmitter, null=True, on_delete=models.CASCADE
     )
     method = models.CharField(
-        max_length=LENGTH_METHOD_NAME,
+        max_length=LENGTH_METHOD,
         null=True,
         blank=True,
         help_text="The name of the algorithmic method used to generate the compounds (e.g. Fragmenstein)",
@@ -887,7 +889,7 @@ class ComputedMolecule(models.Model):
     smiles = models.CharField(max_length=255)
     identifier = ShortUUIDField(
         length=SHORT_UUID_LENGTH,
-        alphabet="ACDEFGHJKLMNPRSTUVWXYZ23456789",
+        alphabet="ACDEFGHJKLMNPRSTUVWXYZ345679",
         null=True,
         blank=True,
         help_text="A four character string of non-confusing uppercase letters and digits for easy reference."