An Error occurd: "cannnot access local variable 'energy'"

[YKikuchi1222]

Hi,

When I tried to generate an .sdf file from a .smi file, I encountered the following error:
cannnot access local variable 'energy' where it is not associated with a value
What does this error mean?

Despite the error, an .sdf file containing the molecule was still generated.
The .smi file was large (about 100 GB), and I used the following command:
scrub.py hoge.smi -o foo.sdf --ph 7.0

This error did not occur when I used the --skip_tautomers option, but I only tried this on a part of the .smi file.

Thank you for your help!

[joanimato]

@YKikuchi1222 This is a bug that has been fixed but not pushed yet to the develop branch. I will push it later today.

[joanimato]

@YKikuchi1222 let me know if the new update fixes the issue.