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Add more test conditions for chem kinetics #1031

Merged
merged 13 commits into from
Apr 28, 2024
Merged

Add more test conditions for chem kinetics #1031

merged 13 commits into from
Apr 28, 2024

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tulioricci
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@tulioricci tulioricci commented Apr 23, 2024

  • Split test_eos and move chemical kinetics tests to test_chemistry
  • Add extra chemistry verification at different pressure conditions
  • Add verification of species entropy and Gibbs energy (used under the hood in reversible reactions)
  • Add lewis=1.0 test option to test_transport
  • Explicitly export the mechanism and read it back for better assessment of test coverage in test_eos, test_chemistry and test_transport
  • Tried to remove deprecation warns from Pyrometheus but left as a comment instead. Need Update EOS drivers_y3-prediction#53

Questions for the review:

  • Is the scope and purpose of the PR clear?
    • The PR should have a description.
    • The PR should have a guide if needed (e.g., an ordering).
  • Is every top-level method and class documented? Are things that should be documented actually so?
  • Is the interface understandable? (I.e. can someone figure out what stuff does?) Is it well-defined?
  • Does the implementation do what the docstring claims?
  • Is everything that is implemented covered by tests?
  • Do you see any immediate risks or performance disadvantages with the design? Example: what do interface normals attach to?

@tulioricci tulioricci requested a review from MTCam April 23, 2024 19:28
@tulioricci tulioricci marked this pull request as ready for review April 23, 2024 19:28
test/test_eos.py Outdated Show resolved Hide resolved
@tulioricci tulioricci merged commit f033e78 into main Apr 28, 2024
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@tulioricci tulioricci deleted the tulio/test_eos branch April 28, 2024 02:49
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2 participants