chore: format

graeter-group · Jan 23, 2025 · 21c19bb · 21c19bb
1 parent 13dd533
commit 21c19bb
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/src/homolysis/reaction.py b/src/homolysis/reaction.py
@@ -76,9 +76,9 @@ def get_recipe_collection(self, files: TaskFiles):
 
             residue = top.atoms[atomnrs[0]].residue
 
-            if not (e_dis := e_dis_d.get("".join(atomnames+[residue]))):
+            if not (e_dis := e_dis_d.get("".join(atomnames + [residue]))):
                 e_dis = get_edissoc_from_atomnames(atomnames, edissoc, residue)
-                e_dis_d["".join(atomnames+[residue])] = e_dis
+                e_dis_d["".join(atomnames + [residue])] = e_dis
 
             k_avg, _ = morse_transition_rate(
                 [sum(dists) / len(dists)], b0, e_dis, kb, frequency_factor, temperature