diff options
Diffstat (limited to 'plip/test/test_water_bridges.py')
| -rw-r--r-- | plip/test/test_water_bridges.py | 8 |
1 files changed, 5 insertions, 3 deletions
diff --git a/plip/test/test_water_bridges.py b/plip/test/test_water_bridges.py index 24bf128..d820b59 100644 --- a/plip/test/test_water_bridges.py +++ b/plip/test/test_water_bridges.py @@ -7,14 +7,16 @@ def characterize_complex(pdb_file: str, binding_site_id: str) -> PLInteraction: pdb_complex = PDBComplex() pdb_complex.load_pdb(pdb_file) for ligand in pdb_complex.ligands: - if ':'.join([ligand.hetid, ligand.chain, str(ligand.position)]) == binding_site_id: + if ( + ":".join([ligand.hetid, ligand.chain, str(ligand.position)]) + == binding_site_id + ): pdb_complex.characterize_complex(ligand) return pdb_complex.interaction_sets[binding_site_id] class WaterBridgeTest(unittest.TestCase): - def test_3ems(self): - interactions = characterize_complex('./pdb/3ems.pdb', 'ARG:A:131') + interactions = characterize_complex("./pdb/3ems.pdb", "ARG:A:131") water_bridges = interactions.water_bridges self.assertEqual(len(water_bridges), 4) |