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fix: fix dtype of keywords_high_multiplicity #1582

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njzjz
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@njzjz njzjz commented Jul 11, 2024

which should have the same dtype as keywords.

Summary by CodeRabbit

  • Improvements
    • Enhanced flexibility in configuration by allowing keywords_high_multiplicity to accept both strings and lists of strings.

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coderabbitai bot commented Jul 11, 2024

Walkthrough

Walkthrough

The fp_style_gaussian_args function within the dpgen/generator/arginfo.py file has been updated to accept the keywords_high_multiplicity argument as either a string or a list of strings. This enhances the flexibility of the function's input handling.

Changes

File Change Summary
dpgen/generator/arginfo.py Updated the keywords_high_multiplicity argument in the fp_style_gaussian_args function from type str to [str, list[str]].

Sequence Diagram(s)

The changes are too simple to warrant a sequence diagram as they primarily involve a type update for a function argument without altering control flow or adding new features.


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Commits

Files that changed from the base of the PR and between 30bc1e5 and b5e477c.

Files selected for processing (1)
  • dpgen/generator/arginfo.py (1 hunks)
Additional comments not posted (2)
dpgen/generator/arginfo.py (2)

712-714: LGTM!

The code changes are approved.


712-714: Verify the type annotation change for keywords_high_multiplicity.

The change allows keywords_high_multiplicity to accept both str and list[str] types. Ensure that this change is correctly reflected in the function's usage and documentation.


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@njzjz njzjz requested a review from wanghan-iapcm July 11, 2024 08:28
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Actionable comments posted: 0

Outside diff range, codebase verification and nitpick comments (1)
dpgen/generator/arginfo.py (1)

714-714: Ensure that the documentation reflects the new type.

The documentation for keywords_high_multiplicity should clearly state that it can accept both str and list[str].

- "Keywords for points with multiple raicals. `multiplicity` should be `auto`. If not set, fallback to normal keywords."
+ "Keywords for points with multiple radicals. `multiplicity` should be `auto`. If not set, fallback to normal keywords. Accepts both `str` and `list[str]`."

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codecov bot commented Jul 11, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 49.59%. Comparing base (30bc1e5) to head (b5e477c).
Report is 29 commits behind head on devel.

Additional details and impacted files
@@           Coverage Diff           @@
##            devel    #1582   +/-   ##
=======================================
  Coverage   49.59%   49.59%           
=======================================
  Files          83       83           
  Lines       14844    14844           
=======================================
  Hits         7362     7362           
  Misses       7482     7482           

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@wanghan-iapcm wanghan-iapcm merged commit 5044565 into deepmodeling:devel Jul 13, 2024
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2 participants