OpenFreeEnergy / OpenFreeEnergy/openfe
openfe gather --debug option
Open
Nobody has claimed this yet.
cli
enhancement
- Dominant language
- Python
- Stars
- 331
- Forks
- 56
- Avg merge
- 3d 9h
- Merged PRs (30d)
- 13
Description
It might be helpful to have a --debug option for openfe gather. This would append more columns to the output tsv, such as the json files associated with each run. We'd need to decide what this looks like overall, and if it is only for openfe gather --raw, or for all output types.
Contributor guide
First steps
- Read the whole issue, then the project's contributing guide.
- Comment on the issue to say you are picking it up — it saves two people doing the same work.
- Fork the repository and make your change on a branch.
- Open a pull request that references the issue number.
Research direction
Start by locating the openfe gather command and reviewing its --raw and other output paths. Decide whether --debug applies only to raw output or all output types, define the additional TSV columns such as associated JSON files, and document the expected output as the completion criteria.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- cli
- Issue type
- Feature
- Difficulty
- 5/5
- Estimated time
- Over a week
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 25/100