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Method Thermoprops and analyitical solution for CubicEoS #90

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merged 22 commits into from
Jul 17, 2024

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This is a big API overhaul with also some improvements.

This pull request should be considered as yaeos 1.0 since it is a big API breaker and we should adopt semantic versioning https://semver.org/

  • Now all that was on the thermoprops module is a method of ArModel. This makes it easier to override specific implementations. Mostly volume solving that was the main concern in this branch, each method could have an specific volume solver.
  • Added the cardano method to solve Cubic roots to yaeos_math and it is now it is used to obtain CubicEoS volume roots.

TODO:

  • The change of volume solver for some reason makes it harder to solve the saturation pressure test. This should be revised, but maybe in another pull request that focuses on upgrading our solvers.
  • Document everything
  • Tests to reach patch requirement

@SalvadorBrandolin if you have time, could you add two tests?

  1. Test the newton volume solver that it is not used in the actual tests (it is in the yaeos__models_ar)
  2. Test the case where $\Delta = 0$ of the Cardano method

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codecov bot commented Jul 16, 2024

Codecov Report

Attention: Patch coverage is 79.10959% with 61 lines in your changes missing coverage. Please review.

Project coverage is 92.05%. Comparing base (73daaf6) to head (3e2cacf).

Files Patch % Lines
src/models/residual_helmholtz/ar_models.f90 72.80% 30 Missing and 1 partial ⚠️
src/math/linalg.f90 48.00% 25 Missing and 1 partial ⚠️
src/models/solvers/volume.f90 92.30% 2 Missing and 1 partial ⚠️
src/phase_equilibria/flash.f90 90.90% 1 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##              dev      #90      +/-   ##
==========================================
- Coverage   94.03%   92.05%   -1.99%     
==========================================
  Files          54       54              
  Lines        2432     2543     +111     
  Branches      183      190       +7     
==========================================
+ Hits         2287     2341      +54     
- Misses         99      154      +55     
- Partials       46       48       +2     

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@fedebenelli fedebenelli merged commit ef98dd9 into dev Jul 17, 2024
9 of 10 checks passed
@fedebenelli fedebenelli deleted the volume_solvers branch August 26, 2024 21:56
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2 participants