lint

SimonBoothroyd · Jun 3, 2024 · d1bde0c · d1bde0c
1 parent f291d67
commit d1bde0c
Showing 1 changed file with 7 additions and 3 deletions.
diff --git a/descent/targets/dimers.py b/descent/targets/dimers.py
@@ -345,8 +345,9 @@ def report(
     Args:
         dataset: The dataset to generate the report for.
         force_fields: The force fields to use to predict the energies.
-        topologies: The topologies of each monomer for the given force field. Each key should be a fully
-            mapped SMILES string. The name of the force field must also be present in force_fields
+        topologies: The topologies of each monomer for the given force field. Each key
+            should be a fully mapped SMILES string. The name of the force field must
+            also be present in force_fields
         output_path: The path to write the report to.
     """
     import pandas
@@ -361,7 +362,10 @@ def report(
     for dimer in descent.utils.dataset.iter_dataset(dataset):
         energies = {"ref": dimer["energy"]}
         energies.update(
-            (force_field_name, _predict(dimer, force_field, topologies[force_field_name])[1])
+            (
+                force_field_name,
+                _predict(dimer, force_field, topologies[force_field_name])[1]
+            )
             for force_field_name, force_field in force_fields.items()
         )