fixup

OpenFreeEnergy · Feb 18, 2023 · 3832c99 · 3832c99
1 parent 8108d71
commit 3832c99
Showing 1 changed file with 5 additions and 5 deletions.
diff --git a/openfecli/commands/quickrun.py b/openfecli/commands/quickrun.py
@@ -64,11 +64,6 @@ 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,
@@ -78,6 +73,11 @@ def quickrun(transformation, directory, output):
  for unit in dagresult.protocol_unit_results
  }
  }
+ # 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():
+ if 'inputs' in dd:
+ dd['inputs'].pop('settings')
 
  if output:
  with open(output, mode='w') as outf: