OpenFreeEnergy / OpenFreeEnergy/openfe_analysis
convert_units = False should return radians & nm for dimensions
Open
Nobody has claimed this yet.
- Dominant language
- Python
- Stars
- 20
- Forks
- 2
- PR merge metrics
- No merged PRs in 30d
Description
This is both low priority and a very atypical use case (indeed I wouldn't ever recommend someone does this).
Technically if we were to create a reader with convert_units=False then the dimensions should be in nanometers and radians.
Contributor guide
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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 reader path that handles convert_units=False and inspect how dimensional units are assigned. Done when dimensions are reported in nanometers and radians for that mode, with coverage for the behavior.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- data
- Issue type
- Bug
- Difficulty
- 3/5
- Estimated time
- 1-2 days
- Activity status
- Stale
- Clarity
- Mostly clear
- Newbie friendliness
- 35/100