diff options
Diffstat (limited to 'plip/test/test_pi_stacking.py')
| -rw-r--r-- | plip/test/test_pi_stacking.py | 10 |
1 files changed, 7 insertions, 3 deletions
diff --git a/plip/test/test_pi_stacking.py b/plip/test/test_pi_stacking.py index bb560a3..16409ef 100644 --- a/plip/test/test_pi_stacking.py +++ b/plip/test/test_pi_stacking.py @@ -8,18 +8,22 @@ 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 RingDetectionTest(unittest.TestCase): - def test_consistent_ring_detection(self): config.NOHYDRO = True angles = set() for i in range(0, 10): - interactions = characterize_complex('./pdb/4dst_protonated.pdb', 'GCP:A:202') + interactions = characterize_complex( + "./pdb/4dst_protonated.pdb", "GCP:A:202" + ) angles.add(interactions.pistacking[0].angle) self.assertTrue(len(angles) == 1) config.NOHYDRO = False |