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[WIP] Add much-needed tests #45

Merged
merged 49 commits into from
Oct 1, 2021
Merged

[WIP] Add much-needed tests #45

merged 49 commits into from
Oct 1, 2021

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mattmcdermott
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@mattmcdermott mattmcdermott commented Sep 9, 2021

The reaction-network test suite is extremely lacking, at the moment. In order for this package to continue in a healthy way, I am devoting some time to writing tests for the various modules (using pytest).

Summary

  • Added pytest files for each module
  • Cleaned up docstrings throughout code
  • Wrote tests for most modules (still need to do firetasks, fireworks, network)
  • Added better docs

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codecov-commenter commented Sep 10, 2021

Codecov Report

Merging #45 (c721e5d) into main (315fcc4) will increase coverage by 33.36%.
The diff coverage is 86.33%.

Impacted file tree graph

@@             Coverage Diff             @@
##             main      #45       +/-   ##
===========================================
+ Coverage   21.81%   55.18%   +33.36%     
===========================================
  Files          44       47        +3     
  Lines        2168     1928      -240     
===========================================
+ Hits          473     1064      +591     
+ Misses       1695      864      -831     
Impacted Files Coverage Δ
src/rxn_network/core/__init__.py 100.00% <ø> (ø)
src/rxn_network/core/calculator.py 100.00% <ø> (ø)
src/rxn_network/core/cost_function.py 100.00% <ø> (ø)
src/rxn_network/core/solver.py 54.76% <ø> (ø)
src/rxn_network/data/__init__.py 100.00% <ø> (ø)
src/rxn_network/firetasks/build_inputs.py 0.00% <0.00%> (ø)
src/rxn_network/firetasks/parse_outputs.py 0.00% <ø> (ø)
src/rxn_network/firetasks/run_calc.py 0.00% <0.00%> (ø)
src/rxn_network/firetasks/utils.py 0.00% <ø> (ø)
src/rxn_network/fireworks/__init__.py 0.00% <0.00%> (ø)
... and 57 more

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@mattmcdermott mattmcdermott added the release:major Major release label Oct 1, 2021
@mattmcdermott mattmcdermott merged commit f718861 into main Oct 1, 2021
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2 participants