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Binding model test might not fail when it' supposed to fail #362

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ronald-jaepel opened this issue Jan 22, 2025 · 0 comments
Open

Binding model test might not fail when it' supposed to fail #362

ronald-jaepel opened this issue Jan 22, 2025 · 0 comments
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@ronald-jaepel
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When creating a binding model test in BindingModels.cpp, the expected setup is to create an all-binding case and a non-all-binding case. Then, with a flag, an additional test can be activated to compare the all-binding to the non-all-binding test by setting CADET_COMPARE_BINDING_VS_NONBINDING . In the test for the Kumar isotherm, we can not set this flag and have to use CADET_DONT_COMPARE_BINDING_VS_NONBINDING :

1e-10, 1e-10, CADET_NONBINDING_LIQUIDPHASE_COMP_USED, CADET_DONT_COMPARE_BINDING_VS_NONBINDING)
// Note that we cannot enable binding vs non-binding test since the first component has to be non-binding,
// the liquid phase component matters in the Jacobian is not a column to ignore.

The comment mentions, that because Kumar requires non-binding components and we can not create an all-binding test, that we can not compare the all-binding to the non-binding.

However, when setting up the tests for the hydrophobic isotherms
https://github.com/cadet/CADET-Core/blob/e054d22f59a2835552bb2cb800892f82510769db/test/BindingModels.cpp#L1667C1-L1732C92
which also strictly require non-binding components, the test is set up with CADET_COMPARE_BINDING_VS_NONBINDING.

We need to investigate if this means that a test that should fail accidentally passes or if this is expected. This issue is opened as a place to reference later and collect insights.

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