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Reactions #614

Merged
merged 10 commits into from
Oct 20, 2023
Merged

Reactions #614

merged 10 commits into from
Oct 20, 2023

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RemDelaporteMathurin
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Proposed changes

This is a first step towards #598

This PR implements a Reaction class and an ImplicitSpecies class.

For now the Reaction class just has a method called reaction_term that returns k * c1 * c2 - p * c3

This form will be used in the variational formulation later.

Types of changes

What types of changes does your code introduce to FESTIM?

  • Bugfix (non-breaking change which fixes an issue)
  • New feature (non-breaking change which adds functionality)
  • Breaking change (fix or feature that would cause existing functionality to not work as expected)
  • Code refactoring
  • Documentation Update (if none of the other choices apply)
  • New tests

Checklist

  • Black formatted
  • Unit tests pass locally with my changes
  • I have added tests that prove my fix is effective or that my feature works
  • I have added necessary documentation (if appropriate)

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codecov bot commented Oct 19, 2023

Codecov Report

All modified lines are covered by tests ✅

Comparison is base (4d4a65a) 96.97% compared to head (ec2d15e) 97.30%.

Additional details and impacted files
@@             Coverage Diff             @@
##           fenicsx     #614      +/-   ##
===========================================
+ Coverage    96.97%   97.30%   +0.32%     
===========================================
  Files           13       14       +1     
  Lines          397      445      +48     
===========================================
+ Hits           385      433      +48     
  Misses          12       12              
Files Coverage Δ
festim/__init__.py 73.07% <100.00%> (+1.07%) ⬆️
festim/reaction.py 100.00% <100.00%> (ø)
festim/species.py 96.96% <100.00%> (+8.08%) ⬆️

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@RemDelaporteMathurin RemDelaporteMathurin added the fenicsx Issue that is related to the fenicsx support label Oct 19, 2023
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@jhdark jhdark left a comment

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Looks good otherwise

@RemDelaporteMathurin RemDelaporteMathurin merged commit fec3bba into fenicsx Oct 20, 2023
10 checks passed
@RemDelaporteMathurin RemDelaporteMathurin deleted the reactions branch November 3, 2023 20:17
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2 participants