OpenFreeEnergy / OpenFreeEnergy/openfe
MD Protocol: access to StateDataReporter log
Open
Nobody has claimed this yet.
- Dominant language
- Python
- Stars
- 331
- Forks
- 56
- Avg merge
- 3d 9h
- Merged PRs (30d)
- 13
Description
Reading the StateDataReporter log can be quite useful. We should add it to the dictionary result from the simulation unit and possibly expose it as a getter in the results object.
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
Locate the simulation unit's dictionary result and the results object, then trace how the StateDataReporter log is produced and currently represented. Clarify whether both dictionary access and a getter are required; done when the log is accessible through the agreed result interfaces.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- backend-api-design
- Issue type
- Feature
- Difficulty
- 3/5
- Estimated time
- 1-2 days
- Activity status
- Stale
- Clarity
- Mostly clear
- Newbie friendliness
- 38/100