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test(hybrid): add ut for descriptor hybrid #3711

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merged 1 commit into from
Apr 29, 2024

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@njzjz njzjz commented Apr 24, 2024

Fix #3705.

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
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coderabbitai bot commented Apr 24, 2024

Walkthrough

Walkthrough

The modifications involve reshaping the output in a descriptor method within the deep learning potential model and adding a new test file to ensure the consistency of hybrid descriptors. These updates enhance the model's functionality and testing robustness.

Changes

File Path Change Summary
deepmd/dpmodel/descriptor/dpa1.py Added a reshaping operation to the gr variable in the call method.
source/.../test_descriptor_hybrid.py Introduced new test cases for verifying the consistency of DescrptHybrid.

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Recent Review Details

Configuration used: CodeRabbit UI
Review profile: CHILL

Commits Files that changed from the base of the PR and between d0cd9f3 and debf087.
Files selected for processing (2)
  • deepmd/dpmodel/descriptor/dpa1.py (1 hunks)
  • source/tests/common/dpmodel/test_descriptor_hybrid.py (1 hunks)
Additional comments not posted (2)
source/tests/common/dpmodel/test_descriptor_hybrid.py (1)

24-66: Ensure the test covers all relevant aspects of DescrptHybrid.

The test test_self_consistency checks the consistency of serialized and deserialized instances of DescrptHybrid. Verify that this test adequately covers all significant properties and behaviors of the DescrptHybrid class, including edge cases and failure modes.

deepmd/dpmodel/descriptor/dpa1.py (1)

530-530: Review the reshaping operation on gr.

The reshaping operation on gr changes its structure to include dimensions for nf, nloc, and other derived dimensions. Verify that this reshaping is correct and does not alter the intended behavior of the gr variable. Ensure that the reshaped dimensions align with the expected output structure of the call method.


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codecov bot commented Apr 24, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 82.15%. Comparing base (d0cd9f3) to head (debf087).
Report is 3 commits behind head on devel.

Additional details and impacted files
@@            Coverage Diff             @@
##            devel    #3711      +/-   ##
==========================================
+ Coverage   82.12%   82.15%   +0.02%     
==========================================
  Files         511      511              
  Lines       47364    47365       +1     
  Branches     2952     2952              
==========================================
+ Hits        38899    38911      +12     
+ Misses       7572     7561      -11     
  Partials      893      893              

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@wanghan-iapcm wanghan-iapcm added the Test CUDA Trigger test CUDA workflow label Apr 25, 2024
@github-actions github-actions bot removed the Test CUDA Trigger test CUDA workflow label Apr 25, 2024
@wanghan-iapcm wanghan-iapcm added this pull request to the merge queue Apr 29, 2024
@github-merge-queue github-merge-queue bot removed this pull request from the merge queue due to failed status checks Apr 29, 2024
@iProzd iProzd added this pull request to the merge queue Apr 29, 2024
Merged via the queue into deepmodeling:devel with commit c6b7f17 Apr 29, 2024
51 checks passed
mtaillefumier pushed a commit to mtaillefumier/deepmd-kit that referenced this pull request Sep 18, 2024
Fix deepmodeling#3705.

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
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To be fixed: dp implementation of hybrid descriptor does not have self-consistent UT
3 participants