OpenFreeEnergy / OpenFreeEnergy/openfe
cli quickrun saves redundant data
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- Dominant language
- Python
- Stars
- 331
- Forks
- 56
- Avg merge
- 3d 9h
- Merged PRs (30d)
- 13
Description
We've saving both individual unit results as well as the entire DAG result. This is redundant:
https://github.com/OpenFreeEnergy/openfe/blob/main/openfecli/commands/quickrun.py#L116
Could probably redo this to only save the ProtocolResult and make that the output of quickrun
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 in openfecli/commands/quickrun.py around line 116 and trace how individual unit results and the complete DAG result are saved. Determine how ProtocolResult is currently produced and used as quickrun output. Done means quickrun saves only the ProtocolResult without redundant individual unit results.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- cli
- Issue type
- Refactor
- Difficulty
- 3/5
- Estimated time
- 1-2 days
- Activity status
- Stale
- Clarity
- Mostly clear
- Newbie friendliness
- 45/100