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add tests for deploy #7

Merged
merged 8 commits into from
Jul 11, 2024
Merged

add tests for deploy #7

merged 8 commits into from
Jul 11, 2024

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jla-gardner
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@jla-gardner jla-gardner commented Jul 10, 2024

Adds tests to ensure that all models can be "deployed" (i.e. compiled to torchscript and saved to disk), re-loaded and used.

These tests highlighted bugs, including:

  • torchscript's inability to handle non-standard ascii characters (such as Φ and Δ - 😢)
  • not all models outputting local energies of shape (n_atoms, )

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codecov bot commented Jul 10, 2024

Codecov Report

Attention: Patch coverage is 96.55172% with 1 line in your changes missing coverage. Please review.

Project coverage is 87.25%. Comparing base (d85cf6c) to head (6bfc529).

Files Patch % Lines
src/graph_pes/deploy.py 87.50% 1 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main       #7      +/-   ##
==========================================
+ Coverage   85.04%   87.25%   +2.21%     
==========================================
  Files          32       33       +1     
  Lines        1805     1914     +109     
==========================================
+ Hits         1535     1670     +135     
+ Misses        270      244      -26     

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@jla-gardner jla-gardner merged commit da7f627 into main Jul 11, 2024
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@jla-gardner jla-gardner deleted the test-deploy branch July 11, 2024 06:00
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