Use dataclass interface to spglib symmetry

[pmrv]

Using dict like interface throws deprecation warnings.

Summary by CodeRabbit

• Bug Fixes

  • Improved the processing of symmetry data to ensure consistent handling as a standard dictionary, enhancing compatibility with other components.

• Refactor

  • Streamlined the initialization process of the class by utilizing dataclasses.asdict() for better clarity and consistency in data handling.

[coderabbitai]

Walkthrough

The changes in the codebase involve modifying the way symmetry data is processed in a class constructor. The previous implementation directly called a method to obtain symmetry data, while the updated version wraps this call with a conversion to a standard dictionary format using dataclasses.asdict(). This ensures consistent handling of the symmetry data as a dictionary.

Changes

Files	Change Summary
structuretoolkit/analyse/symmetry.py	Modified the constructor to wrap the call to _get_symmetry with dataclasses.asdict(), converting the output to a standard dictionary format.

Sequence Diagram(s)

(No sequence diagrams generated as the changes are straightforward and do not involve complex interactions.)

Poem

In the code where symmetry lies,
A rabbit hops, oh what a surprise!
With a twist of the code, it’s clear and bright,
A dictionary now, bringing data to light.
Hooray for the change, let’s dance and cheer,
For clarity comes, and we hold it dear! 🐇✨

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[coderabbitai]

Actionable comments posted: 0

Review details

Configuration used: CodeRabbit UI
Review profile: CHILL

Commits

Files that changed from the base of the PR and between fcb4ade and e9e4120.

Files selected for processing (1)

• structuretoolkit/analyse/symmetry.py (2 hunks)

Additional comments not posted (2)

structuretoolkit/analyse/symmetry.py (2)

6-6: LGTM!

The import of dataclasses is necessary for the usage of dataclasses.asdict.

The code changes are approved.

---

69-70: LGTM!

The modification ensures that the result of _get_symmetry is consistently handled as a dictionary, which can improve compatibility with other parts of the code that expect a dictionary structure.

The code changes are approved.

[pmrv]

Added the fix at the wrong location. The affected site is .info not the result from _get_symmetry.