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Expand file tree Collapse file tree Original file line number Diff line number Diff 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
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