test(pt): document se_e3_tebd gr output

[njzjz-bot]

Problem

• The pt_expt se_e3_tebd consistency test had a TODO asking why gr is None.
• The descriptor docs implied a non-None equivariant gr, even though se_e3_tebd contracts the angular information into an invariant descriptor.

Change

• Assert that both backends return gr is None in the test.
• Replace the TODO with a code comment explaining the invariant three-body contraction.
• Update the dpmodel return-value docs to state that gr is intentionally None.

Notes

• Fixes investigate why gr is None #5463.
• Verification: python3 -m py_compile source/tests/pt_expt/descriptor/test_se_t_tebd.py deepmd/dpmodel/descriptor/se_t_tebd.py; git diff --check.
• Full pytest was not run locally because this environment does not have pytest installed.

Authored by OpenClaw (model: custom-chat-jinzhezeng-group/gpt-5.5)

Summary by CodeRabbit

• Documentation

  • Clarified descriptor output documentation: single-particle equivariant output returns None, and three-body angular information is contracted into rotationally invariant descriptor format rather than exposed separately.

• Tests

  • Updated tests with explicit assertions for None outputs and improved comparison logic by removing conditional branches.

[coderabbitai]

📝 Walkthrough

Walkthrough

The DescrptSeTTebd.call method docstring is updated to state that this descriptor returns None for the equivariant single-particle output. The corresponding test removes the conditional gr comparison block and instead explicitly asserts that gr1 and gr2 are None.

Changes

Clarify and enforce gr=None for se_t_tebd descriptor

Layer / File(s)	Summary
Docstring and test assertion for gr=None deepmd/dpmodel/descriptor/se_t_tebd.py, source/tests/pt_expt/descriptor/test_se_t_tebd.py	DescrptSeTTebd.call docstring now explicitly states the equivariant single-particle output is None; the test replaces the prior conditional gr comparison (including the TODO comment) with direct assertIsNone checks for gr1 and gr2, followed by the rd1/rd2 equality check.

Estimated code review effort

🎯 1 (Trivial) | ⏱️ ~3 minutes

🚥 Pre-merge checks | ✅ 4 | ❌ 1

❌ Failed checks (1 warning)

Check name	Status	Explanation	Resolution
Docstring Coverage	⚠️ Warning	Docstring coverage is 50.00% which is insufficient. The required threshold is 80.00%.	Write docstrings for the functions missing them to satisfy the coverage threshold.

✅ Passed checks (4 passed)

Check name	Status	Explanation
Description Check	✅ Passed	Check skipped - CodeRabbit’s high-level summary is enabled.
Title check	✅ Passed	The title 'test(pt): document se_e3_tebd gr output' accurately describes the main change of documenting and testing the gr output behavior of the se_e3_tebd descriptor.
Linked Issues check	✅ Passed	The pull request successfully addresses issue #5463 by documenting why gr is None through updated test assertions and docstring clarifications in the descriptor implementation.
Out of Scope Changes check	✅ Passed	All changes are directly scoped to addressing issue #5463: updating test assertions for gr output and clarifying docstrings in the se_t_tebd descriptor file.

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✨ Finishing Touches

🧪 Generate unit tests (beta)

• Create PR with unit tests

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[coderabbitai]

Caution

Some comments are outside the diff and can’t be posted inline due to platform limitations.

⚠️ Outside diff range comments (1)

deepmd/dpmodel/descriptor/se_t_tebd.py (1)

363-363: ⚠️ Potential issue | 🟠 Major

Fix return type annotation to match actual 5-tuple return.

The return type annotation declares -> tuple[Array, Array] (2-tuple) at line 363, but the function returns a 5-tuple (grrg, rot_mat, None, None, sw) at line 420. The docstring correctly documents all 5 return values. Update the annotation to tuple[Array, Array, None, None, Array] or use an appropriate type alias to match the implementation.

🤖 Prompt for AI Agents

Verify each finding against current code. Fix only still-valid issues, skip the
rest with a brief reason, keep changes minimal, and validate.

In `@deepmd/dpmodel/descriptor/se_t_tebd.py` at line 363, The return type
annotation for the function declares a 2-tuple type `tuple[Array, Array]` but
the actual return statement at line 420 returns a 5-tuple containing `(grrg,
rot_mat, None, None, sw)`. Update the return type annotation to accurately
reflect the 5-tuple being returned, changing it to `tuple[Array, Array, None,
None, Array]` to match both the implementation and what is documented in the
docstring.

🤖 Prompt for all review comments with AI agents

Verify each finding against current code. Fix only still-valid issues, skip the
rest with a brief reason, keep changes minimal, and validate.

Outside diff comments:
In `@deepmd/dpmodel/descriptor/se_t_tebd.py`:
- Line 363: The return type annotation for the function declares a 2-tuple type
`tuple[Array, Array]` but the actual return statement at line 420 returns a
5-tuple containing `(grrg, rot_mat, None, None, sw)`. Update the return type
annotation to accurately reflect the 5-tuple being returned, changing it to
`tuple[Array, Array, None, None, Array]` to match both the implementation and
what is documented in the docstring.

---

ℹ️ Review info

⚙️ Run configuration

Configuration used: Repository UI

Review profile: CHILL

Plan: Pro

Run ID: d680dfba-0862-429e-a859-2de54d5a1f78

📥 Commits

Reviewing files that changed from the base of the PR and between 87d8557 and 8abfe96.

📒 Files selected for processing (2)

• deepmd/dpmodel/descriptor/se_t_tebd.py
• source/tests/pt_expt/descriptor/test_se_t_tebd.py

[codecov]

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 82.18%. Comparing base (016141f) to head (8abfe96).
⚠️ Report is 24 commits behind head on master.

Additional details and impacted files

@@            Coverage Diff             @@
##           master    #5536      +/-   ##
==========================================
+ Coverage   81.34%   82.18%   +0.84%     
==========================================
  Files         868      890      +22     
  Lines       96358   101357    +4999     
  Branches     4233     4243      +10     
==========================================
+ Hits        78383    83304    +4921     
- Misses      16675    16751      +76     
- Partials     1300     1302       +2     

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