Skip to content

Commit 6506a9f

Browse files
committed
apply pre-commit and linting
1 parent 4887852 commit 6506a9f

1 file changed

Lines changed: 5 additions & 2 deletions

File tree

CodeEntropy/entropy.py

Lines changed: 5 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -252,14 +252,17 @@ def _compute_entropies(
252252
for group_id in groups.keys():
253253
mol = self._get_molecule_container(reduced_atom, groups[group_id][0])
254254

255-
residue_group = "_".join(sorted(set(res.resname for res in mol.residues)))
255+
residue_group = "_".join(
256+
sorted(set(res.resname for res in mol.residues))
257+
)
256258
group_residue_count = len(groups[group_id])
257259
group_atom_count = 0
258260
for mol_id in groups[group_id]:
259261
each_mol = self._get_molecule_container(reduced_atom, mol_id)
260262
group_atom_count += len(each_mol.atoms)
261263
self._data_logger.add_group_label(
262-
group_id, residue_group, group_residue_count, group_atom_count)
264+
group_id, residue_group, group_residue_count, group_atom_count
265+
)
263266

264267
resname = mol.atoms[0].resname
265268
resid = mol.atoms[0].resid

0 commit comments

Comments
 (0)