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chore(pt): cleanup deadcode #4142

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wanghan-iapcm
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@wanghan-iapcm wanghan-iapcm commented Sep 19, 2024

Summary by CodeRabbit

  • New Features

    • No new features introduced; significant code simplifications made.
  • Bug Fixes

    • No specific bug fixes identified; however, the removal of outdated functions may enhance overall stability.
  • Refactor

    • Removed the Region3D class and associated functions to streamline preprocessing logic.
    • Eliminated the get_atom_axis function to simplify atom axis determination.
    • Removed the _to_face_distance function, suggesting a refactor in distance calculations.
  • Tests

    • Removed the TestLegacyRegion class, reducing the scope of testing related to the Region3D functionality.

@wanghan-iapcm wanghan-iapcm requested a review from njzjz September 19, 2024 02:09
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coderabbitai bot commented Sep 19, 2024

Walkthrough

Walkthrough

The changes include the removal of the get_atom_axis function from transform_output.py, the complete elimination of the Region3D class and several related functions from preprocess.py, and the removal of the private function _to_face_distance from region.py. Additionally, the TestLegacyRegion class has been removed from the test file test_region.py, which contained tests related to the Region3D functionality. These modifications indicate a significant refactoring and simplification of the codebase, particularly concerning the handling of atom coordinates and related functionalities.

Changes

File Path Change Summary
deepmd/pt/model/model/transform_output.py Removed get_atom_axis function.
deepmd/pt/utils/preprocess.py Removed Region3D class and related functions: normalize_coord, compute_serial_cid, compute_pbc_shift, build_inside_clist, append_neighbors, build_neighbor_list. Only compute_smooth_weight remains.
deepmd/pt/utils/region.py Removed _to_face_distance function.
source/tests/pt/model/test_region.py Removed TestLegacyRegion class and its associated tests related to Region3D.

Recent review details

Configuration used: CodeRabbit UI
Review profile: CHILL

Commits

Files that changed from the base of the PR and between ba9f02f and 3bbef71.

Files selected for processing (4)
  • deepmd/pt/model/model/transform_output.py (0 hunks)
  • deepmd/pt/utils/preprocess.py (0 hunks)
  • deepmd/pt/utils/region.py (0 hunks)
  • source/tests/pt/model/test_region.py (0 hunks)
Files not reviewed due to no reviewable changes (4)
  • deepmd/pt/model/model/transform_output.py
  • deepmd/pt/utils/preprocess.py
  • deepmd/pt/utils/region.py
  • source/tests/pt/model/test_region.py

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codecov bot commented Sep 19, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 83.31%. Comparing base (64e6e52) to head (3bbef71).
Report is 198 commits behind head on devel.

Additional details and impacted files
@@            Coverage Diff             @@
##            devel    #4142      +/-   ##
==========================================
+ Coverage   83.03%   83.31%   +0.28%     
==========================================
  Files         532      533       +1     
  Lines       52187    52051     -136     
  Branches     3030     3030              
==========================================
+ Hits        43331    43365      +34     
+ Misses       7911     7737     -174     
- Partials      945      949       +4     

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

@njzjz
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njzjz commented Sep 19, 2024

  • deepmd/pt/infer/deep_eval.py:595:0: DC02 Function eval_model is never used. used by test_unused_params, which seems not easy to remove

It can be moved to tests

@wanghan-iapcm wanghan-iapcm added this pull request to the merge queue Sep 19, 2024
Merged via the queue into deepmodeling:devel with commit a9aad68 Sep 19, 2024
60 checks passed
@wanghan-iapcm wanghan-iapcm deleted the chore-clean-region-preprocess branch September 19, 2024 14:46
njzjz added a commit to njzjz/deepmd-kit that referenced this pull request Sep 20, 2024
Per discussion in deepmodeling#4142 (comment). It should not be a public API as it lacks maintainance.

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
github-merge-queue bot pushed a commit that referenced this pull request Sep 21, 2024
Per discussion in
#4142 (comment).
It should not be a public API as it lacks maintainance.

<!-- This is an auto-generated comment: release notes by coderabbit.ai
-->
## Summary by CodeRabbit

- **New Features**
- Introduced a new `eval_model` function in the testing module to
enhance model evaluation capabilities with various input configurations.

- **Bug Fixes**
- Removed the old `eval_model` function from the main module to
streamline functionality and improve code organization.

- **Refactor**
- Consolidated the import of `eval_model` to a common module across
multiple test files for better organization and reduced dependencies.
<!-- end of auto-generated comment: release notes by coderabbit.ai -->

---------

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Co-authored-by: Han Wang <92130845+wanghan-iapcm@users.noreply.github.com>
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