`pymatgen` CIF reader function deprecated
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- Dominant language
- Python
- Stars
- 279
- Forks
- 177
- PR merge metrics
- No merged PRs in 30d
Description
The get_structures method in the pymatgen CIF reader is going to be deprecated. We need to switch to using parse_structures:
get_structures is deprecated
get_structures is deprecated and will be removed in 2024. Use parse_structures instead.The only difference is that primitive defaults to False in the new parse_structures method.So parse_structures(primitive=True) is equivalent to the old behavior of get_structures().
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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
Search the repository for uses of get_structures in the pymatgen CIF reader. Replace those uses with parse_structures, preserving primitive=True where the old get_structures() behavior is required; done when deprecated calls are removed and the affected reader behavior remains covered by the existing tests.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- data
- Issue type
- Refactor
- Difficulty
- 3/5
- Estimated time
- 1-2 days
- Activity status
- Stale
- Clarity
- Mostly clear
- Newbie friendliness
- 48/100