Merge pull request #750 from MolSSI/next

Use computed column for dataset lname
MolSSI · Sep 15, 2023 · d06773d · d06773d
2 parents e169f94 + 97a69ab
commit d06773d
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Showing 3 changed files with 39 additions and 3 deletions.
diff --git a/...fractal/alembic/versions/2023-09-14-13cb230def11_use_computed_column_for_dataset_lname.py b/...fractal/alembic/versions/2023-09-14-13cb230def11_use_computed_column_for_dataset_lname.py
@@ -0,0 +1,37 @@
+"""Use computed column for dataset lname
+
+Revision ID: 13cb230def11
+Revises: d1ee87a66b71
+Create Date: 2023-09-14 18:50:20.067940
+
+"""
+import sqlalchemy as sa
+from alembic import op
+
+# revision identifiers, used by Alembic.
+revision = "13cb230def11"
+down_revision = "d1ee87a66b71"
+branch_labels = None
+depends_on = None
+
+
+def upgrade():
+    # ### commands auto generated by Alembic - please adjust! ###
+    op.execute(sa.text("ALTER TABLE base_dataset DROP COLUMN lname;"))
+    op.execute(
+        sa.text(
+            "ALTER TABLE base_dataset ADD COLUMN lname CHARACTER VARYING(100) NOT NULL GENERATED ALWAYS AS (lower((name)::text)) stored;"
+        )
+    )
+    # ### end Alembic commands ###
+
+
+def downgrade():
+    # ### commands auto generated by Alembic - please adjust! ###
+    op.execute(sa.text("ALTER TABLE base_dataset DROP COLUMN lname;"))
+    op.execute(sa.text("ALTER TABLE base_dataset ADD COLUMN lname CHARACTER VARYING(100)"))
+    op.execute(sa.text("UPDATE base_dataset SET lname = lower(name)"))
+    op.alter_column("base_dataset", "lname", nullable=False)
+    op.create_unique_constraint("ux_base_dataset_dataset_type_lname", "base_dataset", ["dataset_type", "lname"])
+
+    # ### end Alembic commands ###
diff --git a/qcfractal/qcfractal/components/dataset_db_models.py b/qcfractal/qcfractal/components/dataset_db_models.py
@@ -9,6 +9,7 @@
     JSON,
     Boolean,
     Index,
+    Computed,
     ForeignKey,
     ForeignKeyConstraint,
     UniqueConstraint,
@@ -30,7 +31,7 @@ class BaseDatasetORM(BaseORM):
     id = Column(Integer, primary_key=True)
     dataset_type = Column(String, nullable=False)
 
-    lname = Column(String(100), nullable=False)
+    lname = Column(String(100), Computed("LOWER(name)"), nullable=False)
     name = Column(String(100), nullable=False)
 
     tags = Column(JSON, nullable=False)

diff --git a/qcfractal/qcfractal/components/dataset_socket.py b/qcfractal/qcfractal/components/dataset_socket.py
@@ -301,7 +301,6 @@ def add(
         ds_orm = self.dataset_orm(
             dataset_type=self.dataset_type,
             name=name,
-            lname=name.lower(),
             tagline=tagline,
             description=description,
             tags=tags,
@@ -371,7 +370,6 @@ def update_metadata(
                     raise AlreadyExistsError(f"{self.dataset_type} dataset named '{new_metadata.name}' already exists")
 
                 ds.name = new_metadata.name
-                ds.lname = new_metadata.name.lower()
 
             ds.description = new_metadata.description
             ds.tagline = new_metadata.tagline