Skip to content

Commit

Permalink
Update cli.py
Browse files Browse the repository at this point in the history
Fix bug where the script would crash if attempting to generate molecules without conditions.
  • Loading branch information
NiklasGebauer authored Oct 25, 2024
1 parent 9384270 commit 87a1986
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion src/schnetpack_gschnet/cli.py
Original file line number Diff line number Diff line change
Expand Up @@ -121,7 +121,7 @@ def generate(config: DictConfig):
)

# parse composition (if it is included in conditions)
if "conditions" not in config:
if "conditions" not in config or config.conditions is None:
with open_dict(config):
config.conditions = {}
original_conditions = OmegaConf.to_container(
Expand Down

0 comments on commit 87a1986

Please sign in to comment.