Add consistency tests for BinarySolutionTabulatedThermo

Cantera · Jun 10, 2022 · 948ffed · 948ffed
1 parent 11407e4
commit 948ffed
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Showing 2 changed files with 31 additions and 2 deletions.
diff --git a/test/data/consistency-cases.yaml b/test/data/consistency-cases.yaml
@@ -63,3 +63,25 @@ ideal-condensed-2:
   - {T: 300, P: 0.1 atm, X: {sp1: 1.0}}
   - {T: 400, P: 0.1 atm, X: {sp1: 0.01, sp2: 0.03, sp3: 0.94}}
   - {T: 500, P: 2 bar, X: {sp1: 0.1, sp2: 0.89, sp3: 0.01}}
+
+binary-solution-tabulated:
+  setup:
+    file: BinarySolutionTabulatedThermo.yaml
+    phase: anode
+    known-failures:
+      hk_eq_uk_plus_P_times_vk: getPartialMolarIntEnergies is not implemented
+      u_eq_sum_uk_Xk: getPartialMolarIntEnergies is not implemented
+      g_eq_h_minus_Ts: "Inconsistent results when P != 1 atm. See GitHub Issue #1301"
+      g_eq_sum_gk_Xk: "Inconsistent results when P != 1 atm. See GitHub Issue #1301"
+      v_eq_sum_vk_Xk: "Inconsistent results. See GitHub Issue #1302"
+      h_eq_sum_hk_Xk: "Inconsistent results. See GitHub Issue #1302"
+      s_eq_sum_sk_Xk: "Problems near composition limit. See GitHub Issue #1303"
+      gk_eq_hk_minus_T_times_sk: "Problems near composition limit. See GitHub Issue #1303"
+  states:
+  - {T: 300, P: 1 atm, X: {"Li[anode]": 0.3, "V[anode]": 0.7}}
+  - {T: 320, P: 1 atm, X: {"Li[anode]": 0.3, "V[anode]": 0.7}}
+  - {T: 340, P: 10 atm, X: {"Li[anode]": 0.6, "V[anode]": 0.4}}
+  - {T: 300, P: 5 atm, X: {"Li[anode]": 0.0, "V[anode]": 1.0}}
+  - {T: 300, P: 1 atm, X: {"Li[anode]": 1.0, "V[anode]": 0.0}}
+  - {T: 300, P: 5 atm, X: {"Li[anode]": 1.0e-10, "V[anode]": 1.0}}
+  - {T: 300, P: 1 atm, X: {"Li[anode]": 1.0, "V[anode]": 1.0e-10}}
diff --git a/test/thermo/consistency.cpp b/test/thermo/consistency.cpp
@@ -44,6 +44,7 @@ class TestConsistency : public testing::TestWithParam<std::tuple<AnyMap, AnyMap>
             cache[key].reset(newPhase(key.first, key.second));
         }
         atol = setup.getDouble("atol", 1e-5);
+        atol_v = setup.getDouble("atol_v", 1e-11);
 
         phase = cache[key];
         phase->setState(state);
@@ -70,7 +71,7 @@ class TestConsistency : public testing::TestWithParam<std::tuple<AnyMap, AnyMap>
     shared_ptr<ThermoPhase> phase;
     size_t nsp;
     double T, p;
-    double atol;
+    double atol, atol_v;
 };
 
 map<pair<string, string>, shared_ptr<ThermoPhase>> TestConsistency::cache = {};
@@ -143,7 +144,7 @@ TEST_P(TestConsistency, v_eq_sum_vk_Xk)
 {
     vector_fp vk(nsp);
     phase->getPartialMolarVolumes(vk.data());
-    EXPECT_NEAR(phase->molarVolume(), phase->mean_X(vk), atol);
+    EXPECT_NEAR(phase->molarVolume(), phase->mean_X(vk), atol_v);
 }
 
 INSTANTIATE_TEST_SUITE_P(IdealGas, TestConsistency,
@@ -182,4 +183,10 @@ INSTANTIATE_TEST_SUITE_P(IdealSolidSolnPhase2, TestConsistency,
         testing::ValuesIn(getStates("ideal-condensed-2")))
 );
 
+INSTANTIATE_TEST_SUITE_P(BinarySolutionTabulated, TestConsistency,
+    testing::Combine(
+        testing::Values(getSetup("binary-solution-tabulated")),
+        testing::ValuesIn(getStates("binary-solution-tabulated")))
+);
+
 }