Skip to content

Commit

Permalink
Fixes problem that NoneTypes are TypeErrors not RuntimeErrors when us…
Browse files Browse the repository at this point in the history
…ing mol2's with disorder.
  • Loading branch information
MilitaoLucas committed Jul 19, 2024
1 parent 8ba409f commit b7a2c22
Showing 1 changed file with 1 addition and 1 deletion.
Original file line number Diff line number Diff line change
Expand Up @@ -362,7 +362,7 @@ def main(structure, work_directory, failure_directory, library, csdrefcode, forc
tdata = get_mc_scores(propensities, crystal.identifier)
json.dump(tdata, file)
mc_dictionary[coformer_name] = get_mc_scores(propensities, crystal.identifier)
except RuntimeError as error_message:
except Exception as error_message:
print("Propensity calculation failure for %s!" % coformer_name)
error_string = f"{coformer_name}: {error_message}"
warnings.warn(error_string)
Expand Down

0 comments on commit b7a2c22

Please sign in to comment.