openforcefield / openff-qcsubmit

Automated tools for submitting molecules to QCFractal

https://openff-qcsubmit.readthedocs.io/en/latest/index.html

MIT License

26 stars 4 forks source link

Clear Error for missing inputs #181

Closed jthorton closed 2 years ago

jthorton commented 2 years ago

Description

This PR makes the dataset factories raise a FileNotFound error when the input file can not be found. This is an improvement over the current unbound local error.

Status

[X] Ready to go

codecov[bot] commented 2 years ago

Codecov Report

Merging #181 (866d74b) into master (129503a) will increase coverage by 0.11%. The diff coverage is 100.00%.