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bug: fix no raise RuntimeError #3748

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merged 1 commit into from
May 6, 2024
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@iProzd iProzd commented May 6, 2024

Summary by CodeRabbit

  • Bug Fixes
    • Improved error handling in the neighbor list building process to provide clearer error messages when atom distances are too close.

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coderabbitai bot commented May 6, 2024

Walkthrough

Walkthrough

The recent update in the codebase involves a correction in the error handling approach within the build_neighbor_list function. Previously, an error was indicated but not properly raised, potentially leading to unhandled exceptions. The modification ensures that a RuntimeError is explicitly raised when atom distances are too close, enhancing the robustness and clarity of error management in the function.

Changes

File Change Summary
deepmd/pt/utils/preprocess.py Updated error handling in build_neighbor_list to properly raise RuntimeError when atom distances are too close.

Recent Review Details

Configuration used: CodeRabbit UI
Review profile: CHILL

Commits Files that changed from the base of the PR and between d48f84a and e924965.
Files selected for processing (1)
  • deepmd/pt/utils/preprocess.py (1 hunks)
Files skipped from review due to trivial changes (1)
  • deepmd/pt/utils/preprocess.py

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@iProzd iProzd linked an issue May 6, 2024 that may be closed by this pull request
1 task
@iProzd iProzd requested a review from njzjz May 6, 2024 09:24
@github-actions github-actions bot added the Python label May 6, 2024
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codecov bot commented May 6, 2024

Codecov Report

Attention: Patch coverage is 0% with 1 lines in your changes are missing coverage. Please review.

Project coverage is 66.85%. Comparing base (d48f84a) to head (e924965).

Files Patch % Lines
deepmd/pt/utils/preprocess.py 0.00% 1 Missing ⚠️
Additional details and impacted files
@@             Coverage Diff             @@
##            devel    #3748       +/-   ##
===========================================
- Coverage   82.23%   66.85%   -15.38%     
===========================================
  Files         513      412      -101     
  Lines       47745    34125    -13620     
  Branches     2979      910     -2069     
===========================================
- Hits        39261    22814    -16447     
- Misses       7573    10896     +3323     
+ Partials      911      415      -496     

☔ View full report in Codecov by Sentry.
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@njzjz njzjz added this pull request to the merge queue May 6, 2024
@github-merge-queue github-merge-queue bot removed this pull request from the merge queue due to failed status checks May 6, 2024
@njzjz njzjz added this pull request to the merge queue May 6, 2024
Merged via the queue into deepmodeling:devel with commit 3d87e57 May 6, 2024
60 checks passed
mtaillefumier pushed a commit to mtaillefumier/deepmd-kit that referenced this pull request Sep 18, 2024
<!-- This is an auto-generated comment: release notes by coderabbit.ai
-->

## Summary by CodeRabbit

- **Bug Fixes**
- Improved error handling in the neighbor list building process to
provide clearer error messages when atom distances are too close.

<!-- end of auto-generated comment: release notes by coderabbit.ai -->
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Fix code scanning alert - Unused exception object
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