[pre-commit.ci] auto fixes from pre-commit.com hooks

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OpenFreeEnergy · Aug 14, 2024 · a5ca553 · a5ca553
1 parent dc5bd81
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diff --git a/feflow/tests/conftest.py b/feflow/tests/conftest.py
@@ -105,22 +105,19 @@ def toluene_vacuum_system(toluene):
 def toluene_solvent_system(toluene, solvent_comp):
  return gufe.ChemicalSystem({"ligand": toluene, "solvent": solvent_comp})
 
+
 @pytest.fixture
 def tyk2_lig_ejm_46_complex(tyk2_protein, tyk2_ligand_ejm_46, solvent_comp):
- return gufe.ChemicalSystem({
- "protein": tyk2_protein,
- "ligand": tyk2_ligand_ejm_46,
- "solvent": solvent_comp
- })
+ return gufe.ChemicalSystem(
+ {"protein": tyk2_protein, "ligand": tyk2_ligand_ejm_46, "solvent": solvent_comp}
+ )
 
 
 @pytest.fixture
 def tyk2_lig_ejm_54_complex(tyk2_protein, tyk2_ligand_ejm_54):
- return gufe.ChemicalSystem({
- "protein": tyk2_protein,
- "ligand": tyk2_ligand_ejm_54,
- "solvent": solvent_comp
- })
+ return gufe.ChemicalSystem(
+ {"protein": tyk2_protein, "ligand": tyk2_ligand_ejm_54, "solvent": solvent_comp}
+ )
 
 
 # Settings fixtures
@@ -266,6 +263,8 @@ def mapping_tyk2_54_to_46(tyk2_ligand_ejm_54, tyk2_ligand_ejm_46):
  from kartograf import KartografAtomMapper
 
  atom_mapper = KartografAtomMapper()
- mapping_obj = next(atom_mapper.suggest_mappings(tyk2_ligand_ejm_54, tyk2_ligand_ejm_46))
+ mapping_obj = next(
+ atom_mapper.suggest_mappings(tyk2_ligand_ejm_54, tyk2_ligand_ejm_46)
+ )
 
  return mapping_obj