Update _m3gnet.py for correct output type

[zz11ss11zz]

Summary

Major changes:

• fix 1: Solve an AssertionError

Todos

If this is work in progress, what else needs to be done?

• feature 2: ...
• fix 2:

Checklist

• Google format doc strings added. Check with ruff.
• Type annotations included. Check with mypy.
• Tests added for new features/fixes.
• If applicable, new classes/functions/modules have duecredit @due.dcite decorators to reference relevant papers by DOI (example)

Tip: Install pre-commit hooks to auto-check types and linting before every commit:

pip install -U pre-commit
pre-commit install

[coderabbitai]

Walkthrough

The primary change involves modifying a conditional check in the transform_one method within _m3gnet.py. Specifically, the check was altered from using isinstance(self.return_type, dict) to self.return_type is dict, refining the logic for type comparison. This adjustment impacts how the function determines the type of self.return_type and processes it accordingly.

Changes

File	Change Summary
src/maml/describers/_m3gnet.py	Modified conditional check from isinstance(self.return_type, dict) to self.return_type is dict in the transform_one method.

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Recent review details

Configuration used: .coderabbit.yaml
Review profile: CHILL

Commits

Files that changed from the base of the PR and between e2cca8b and a167441.

Files selected for processing (1)

• src/maml/describers/_m3gnet.py (1 hunks)

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[coderabbitai]

Actionable comments posted: 1

[coderabbitai]

Fix the type comparison logic.

The change from isinstance(self.return_type, dict) to self.return_type is dict is incorrect. The is operator checks for identity, not type. Use isinstance to correctly check the type.

-        if self.return_type is dict:
+        if isinstance(self.return_type, dict):

Committable suggestion

‼️ IMPORTANT
Carefully review the code before committing. Ensure that it accurately replaces the highlighted code, contains no missing lines, and has no issues with indentation. Thoroughly test & benchmark the code to ensure it meets the requirements.

Suggested change

	if self.return_type is dict:
	return atom_fea_dict
	if isinstance(self.return_type, dict):
	return atom_fea_dict

[codecov]

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 67.39%. Comparing base (9502e1d) to head (a167441).
Report is 7 commits behind head on master.

Additional details and impacted files

@@            Coverage Diff             @@
##           master     #643      +/-   ##
==========================================
- Coverage   67.45%   67.39%   -0.06%     
==========================================
  Files          68       68              
  Lines        5276     5276              
==========================================
- Hits         3559     3556       -3     
- Misses       1717     1720       +3     

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.

[shyuep]

Commit and PR descriptions have to clearly say what it is. Saying minor bug fix does not give any information.