temporarily strip out settings from quickrun output

OpenFreeEnergy · Feb 18, 2023 · 8108d71 · 8108d71
1 parent 0b09743
commit 8108d71
Showing 1 changed file with 5 additions and 0 deletions.
diff --git a/openfecli/commands/quickrun.py b/openfecli/commands/quickrun.py
@@ -64,6 +64,11 @@ def quickrun(transformation, directory, output):
  else:
  estimate = uncertainty = None # for output file
 
+ # TODO: remove this ugly hack on next release
+ # strip out Settings objects in each unit_result inputs dict
+ for _, dd in out_dict['unit_results'].items():
+ dd['inputs'].pop('settings')
+
  out_dict = {
  'estimate': estimate,
  'uncertainty': uncertainty,