OpenFreeEnergy / OpenFreeEnergy/openfe
Move XML serialize & deserialize methods to openmm utils from septop utils and remove unused file types.
Open
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- Dominant language
- Python
- Stars
- 331
- Forks
- 56
- Avg merge
- 3d 9h
- Merged PRs (30d)
- 13
Description
These originate from feflow, so they will eventually get moved to a utils repo.
That being said, we also have no need for supporting gz, bz2 AND standard XML. We should choose between gz and bz2 and stick to it.
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 XML serialize and deserialize methods currently in septop utils and review their usages before moving them to openmm utils. Confirm whether gz or bz2 should remain, remove the unused file-type support, and verify that serialization still works with the chosen format.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- tooling
- Issue type
- Refactor
- Difficulty
- 4/5
- Estimated time
- 3-5 days
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 35/100