Skip to content

Commit

Permalink
Add consistency tests for IonsFromNeutralMolecule
Browse files Browse the repository at this point in the history
  • Loading branch information
speth authored and ischoegl committed Jun 10, 2022
1 parent 17bb016 commit a57a7f0
Show file tree
Hide file tree
Showing 2 changed files with 19 additions and 0 deletions.
13 changes: 13 additions & 0 deletions test/data/consistency-cases.yaml
Expand Up @@ -359,3 +359,16 @@ Maskell-solid-solution:
- {T: 330, P: 10 atm, X: {H(s): 0.3, He(s): 0.7}}
- {T: 280, P: 20 atm, X: {H(s): 1.0, He(s): 0.0}}
- {T: 380, P: 5 atm, X: {H(s): 0.0, He(s): 1.0}}

ions-from-neutral-molecule:
setup:
file: thermo-models.yaml
phase: ions-from-neutral-molecule
known-failures:
g_eq_h_minus_Ts: "Inconsistent results. See GitHub Issue #1322"
gk_eq_hk_minus_T_sk: "Inconsistent results. See GitHub Issue #1322"
v_eq_sum_vk_Xk: "Inconsistent results. See GitHub Issue #1322"
chem_potentials_to_activities: "Inconsistent results. See GitHub Issue #1322"
states:
- {T: 300, P: 1 atm, X: {K+: 0.1, Cl-: 0.1}}
- {T: 500, P: 5 bar, X: {K+: 0.1, Cl-: 0.1}}
6 changes: 6 additions & 0 deletions test/thermo/consistency.cpp
Expand Up @@ -662,4 +662,10 @@ INSTANTIATE_TEST_SUITE_P(MaskellSolidSolution, TestConsistency,
testing::ValuesIn(getStates("Maskell-solid-solution")))
);

INSTANTIATE_TEST_SUITE_P(IonsFromNeutralMolecule, TestConsistency,
testing::Combine(
testing::Values(getSetup("ions-from-neutral-molecule")),
testing::ValuesIn(getStates("ions-from-neutral-molecule")))
);

}

0 comments on commit a57a7f0

Please sign in to comment.