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fix: reject non-finite model deviations - #389

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njzjz-bot:fix/issue-276-nonfinite-model-deviation
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fix: reject non-finite model deviations#389
njzjz-bot wants to merge 1 commit into
deepmodeling:masterfrom
njzjz-bot:fix/issue-276-nonfinite-model-deviation

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@njzjz-bot njzjz-bot commented Aug 23, 2026

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Summary

  • validate all six LAMMPS model-deviation columns before recording them
  • reject NaN and infinity values with the source artifact, row, and metric
  • prevent invalid values from silently becoming adaptive trust levels

Tests

  • PYTHONPATH=tests python -m unittest -v tests.exploration.test_traj_render_lammps
  • ruff format --check dpgen2/exploration/render/traj_render_lammps.py tests/exploration/test_traj_render_lammps.py
  • isort --check-only dpgen2/exploration/render/traj_render_lammps.py tests/exploration/test_traj_render_lammps.py
  • git diff --check

Closes #276

Coding agent: Codex
Codex version: codex-cli 0.149.0
Model: gpt-5.6-sol
Reasoning effort: xhigh

@dosubot dosubot Bot added size:L This PR changes 100-499 lines, ignoring generated files. bug Something isn't working labels Aug 23, 2026
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coderabbitai Bot commented Aug 23, 2026

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Reviewing files that changed from the base of the PR and between 6b01f29 and 22f50a2.

📒 Files selected for processing (2)
  • dpgen2/exploration/render/traj_render_lammps.py
  • tests/exploration/test_traj_render_lammps.py

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Fail at the LAMMPS artifact boundary before NaN or infinity values can produce invalid exploration trust levels.

Coding-Agent: Codex
Codex-Version: codex-cli 0.149.1
Model: gpt-5.6-sol
Reasoning-Effort: xhigh
@njzjz-bot
njzjz-bot force-pushed the fix/issue-276-nonfinite-model-deviation branch from 8eb52fb to 22f50a2 Compare August 26, 2026 11:00
@dosubot dosubot Bot added size:S This PR changes 10-29 lines, ignoring generated files. and removed size:L This PR changes 100-499 lines, ignoring generated files. labels Aug 26, 2026
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codecov Bot commented Aug 26, 2026

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Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 84.44%. Comparing base (6b01f29) to head (22f50a2).

Additional details and impacted files
@@            Coverage Diff             @@
##           master     #389      +/-   ##
==========================================
+ Coverage   84.43%   84.44%   +0.01%     
==========================================
  Files         104      104              
  Lines        6110     6115       +5     
==========================================
+ Hits         5159     5164       +5     
  Misses        951      951              

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lvl_f_lo and Outputs-model_devi show nan during dpgen2 run

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