chore(tests): ensure the same result of frame 0 and 1

[njzjz]

Copied from njzjz/deepmd-gnn#27.

Summary by CodeRabbit

• Bug Fixes

  • Enhanced the robustness of the testing framework to ensure consistent model output across multiple frames of input data.
  • Added assertions to validate output equivalence for the first and second frames.

• Tests

  • Adjusted the testing methods to accommodate changes in input dimensionality and ensure proper validation of model behavior.

Copilot reviewed 1 out of 1 changed files in this pull request and generated no suggestions.

[coderabbitai]

📝 Walkthrough

📝 Walkthrough

Walkthrough

The changes in this pull request focus on the ModelTestCase class within the source/tests/universal/common/cases/model/utils.py file. The primary modifications involve updating the test_forward method to accommodate an increase in the variable nf from 1 to 2, which impacts the dimensionality of input data. This necessitates adjustments to the shapes of various arrays, including coord, atype, and spin, and introduces assertions to ensure output consistency across the newly defined frames.

Changes

File Path	Change Summary
source/tests/universal/common/cases/model/utils.py	Modified ModelTestCase class, updated test_forward method to handle increased nf from 1 to 2, adjusted array shapes for coord, atype, spin, and added output consistency assertions.

Suggested reviewers

• wanghan-iapcm

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Reviewing files that changed from the base of the PR and between 77cf60d and f8986de.

📒 Files selected for processing (1)

• source/tests/universal/common/cases/model/utils.py (3 hunks)

🚧 Files skipped from review as they are similar to previous changes (1)

• source/tests/universal/common/cases/model/utils.py

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[coderabbitai]

Actionable comments posted: 0

🧹 Outside diff range and nitpick comments (1)

source/tests/universal/common/cases/model/utils.py (1)

186-193: Consider enhancing error handling in frame comparison

While the frame consistency check is well-implemented, consider adding more detailed error information when assertions fail.

 if ret[0][kk] is not None:
     np.testing.assert_allclose(
         ret[0][kk][0],
         ret[0][kk][1],
-        err_msg=f"compare {kk} between frame 0 and 1",
+        err_msg=f"Frame mismatch for {kk}: absolute diff = {np.abs(ret[0][kk][0] - ret[0][kk][1]).max()}, relative diff = {np.abs((ret[0][kk][0] - ret[0][kk][1]) / (ret[0][kk][0] + 1e-10)).max()}",
     )

📜 Review details

Configuration used: CodeRabbit UI
Review profile: CHILL

📥 Commits

Reviewing files that changed from the base of the PR and between b0520b0 and 77cf60d.

📒 Files selected for processing (1)

• source/tests/universal/common/cases/model/utils.py (2 hunks)

🔇 Additional comments (2)

source/tests/universal/common/cases/model/utils.py (2)

122-122: LGTM: Frame count increase aligns with PR objective

The change from nf = 1 to nf = 2 enables testing frame consistency, which is the main goal of this PR.

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130-133: LGTM: Array initialization properly handles multiple frames

The array initialization changes correctly:

• Use repeat to duplicate frame data consistently
• Maintain proper shapes for multiple frames
• Ensure identical data across frames for testing consistency