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Codecov Report✅ All modified and coverable lines are covered by tests. Additional details and impacted files@@ Coverage Diff @@
## main #1477 +/- ##
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Coverage 93.97% 93.97%
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Files 73 73
Lines 6340 6340
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Hits 5958 5958
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Pull request overview
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Updates the project’s typing toolchain and related dependency constraints, and applies a small refactor to satisfy newer mypy checks.
Changes:
- Bump mypy dependency to
>=1.20in the typing feature. - Tighten/pin related OpenFF dependency constraints in
pixi.toml. - Refactor
_compute_partial_chargesto avoid ano-redefignore by using a new local dict variable.
Reviewed changes
Copilot reviewed 2 out of 3 changed files in this pull request and generated 3 comments.
| File | Description |
|---|---|
| pixi.toml | Updates version constraints for mypy and several OpenFF dependencies. |
| openff/interchange/smirnoff/_nonbonded.py | Refactors additional_args handling to satisfy mypy without # type: ignore. |
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| ) -> Quantity: | ||
| """Call out to the toolkit's toolkit wrappers to generate partial charges.""" | ||
| additional_args: dict[str, str] = {i: j for i, j in additional_args} # type: ignore[no-redef] | ||
| additional_args_as_dict: dict[str, str] = {i: j for i, j in additional_args} |
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This dict comprehension is equivalent to dict(additional_args) and the latter is simpler/clearer to read. Consider replacing it with dict(additional_args) (keeping the additional_args_as_dict name) to reduce incidental complexity.
| additional_args_as_dict: dict[str, str] = {i: j for i, j in additional_args} | |
| additional_args_as_dict: dict[str, str] = dict(additional_args) |
Description
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Checklist