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701 ts1 integration test and example#753

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K20shores merged 10 commits intomainfrom
701-ts1-integration-test-and-example
Jan 28, 2026
Merged

701 ts1 integration test and example#753
K20shores merged 10 commits intomainfrom
701-ts1-integration-test-and-example

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Closes #701

  • corrects rate constants for v1 ts1.
    • we used the conversion tool to generate. THe converter assumes you have raw objects made by hand. However, mechanism configuration automaticlaly converts the preexponential factors from cm3 molec-1 to m3 mol -1, and we did that conversion twice. I added an option to the cli to control that
  • Ensures that all examples can be copied and run with our wheel tests automatically
  • Ensures that the conversion tool runs for each wheel test

@K20shores K20shores linked an issue Jan 28, 2026 that may be closed by this pull request
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codecov-commenter commented Jan 28, 2026

Codecov Report

❌ Patch coverage is 21.36752% with 92 lines in your changes missing coverage. Please review.
✅ Project coverage is 73.81%. Comparing base (26e58d6) to head (1ad1ab1).
⚠️ Report is 4 commits behind head on main.

Files with missing lines Patch % Lines
python/musica/examples/ts1_box_model.py 0.00% 90 Missing ⚠️
python/musica/main.py 0.00% 2 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main     #753      +/-   ##
==========================================
- Coverage   74.63%   73.81%   -0.82%     
==========================================
  Files         109      110       +1     
  Lines        8106     8200      +94     
==========================================
+ Hits         6050     6053       +3     
- Misses       2056     2147      +91     
Flag Coverage Δ
cpp_fortran 68.51% <100.00%> (+0.01%) ⬆️
javascript 92.56% <ø> (ø)
python 75.71% <2.12%> (-2.77%) ⬇️

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Pull request overview

Updates TS1 support by correcting converted reaction rate constants and adding a TS1 box-model example and wheel-test coverage, including a new CLI option to control V0→V1 reaction unit conversion.

Changes:

  • Add an option to skip reaction-unit conversion during V0→V1 conversion and propagate it through C++/Python/CLI layers.
  • Add a TS1 box-model example and register it in the examples catalog; expand wheel tests to run examples and TS1 conversion.
  • Update the bundled TS1 V1 configuration to reflect corrected rate constants and related schema/field adjustments.

Reviewed changes

Copilot reviewed 9 out of 10 changed files in this pull request and generated 8 comments.

Show a summary per file
File Description
src/test/unit/micm/parser.cpp Updates/disablements in MICM parser + conversion unit tests.
src/micm/convert_v0_to_v1.cpp Adds unit-conversion toggle, name prefix stripping, and other V0→V1 conversion behavior changes.
python/musica/mechanism_configuration/utils.py Adjusts serialization cleanup logic for empty values.
python/musica/main.py Adds --no-convert-units CLI option and threads it into conversion.
python/musica/examples/ts1_box_model.py Adds TS1 box model runnable example.
python/musica/examples/examples.py Registers TS1 box model example for musica-cli -e.
python/bindings/mechanism_configuration/mechanism_configuration.cpp Updates pybind API to pass unit-conversion toggle into C++.
pyproject.toml Expands cibuildwheel test extras and test-command coverage for examples/conversion.
include/musica/micm/parse.hpp Updates C++ ConvertV0MechanismToV1 signatures with a defaulted unit-conversion toggle.
configs/v1/ts1/ts1.json Updates TS1 V1 mechanism data (rate constants, fields/structure).

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@K20shores K20shores merged commit 8e8c738 into main Jan 28, 2026
47 of 49 checks passed
@K20shores K20shores deleted the 701-ts1-integration-test-and-example branch January 28, 2026 22:38
This was referenced Jan 30, 2026
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TS1 Integration test and example

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