From 17bb016ee279fe2ffd5bb63afed467f4ebf8838b Mon Sep 17 00:00:00 2001
From: Ray Speth <speth@mit.edu>
Date: Mon, 6 Jun 2022 19:42:20 -0400
Subject: [PATCH] Add consistency tests for Maskell phase

---
 test/data/consistency-cases.yaml | 33 +++++++++++++++++++++++++
 test/thermo/consistency.cpp      | 42 ++++++++++++++++++++++++++------
 2 files changed, 67 insertions(+), 8 deletions(-)

diff --git a/test/data/consistency-cases.yaml b/test/data/consistency-cases.yaml
index 9ffe23db55..2d5de33b07 100644
--- a/test/data/consistency-cases.yaml
+++ b/test/data/consistency-cases.yaml
@@ -326,3 +326,36 @@ Redlich-Kister:
   - {T: 440, P: 1 atm, X: {Li(C6): 0.75, V(C6): 0.25}}
   - {T: 350, P: 10 atm, X: {Li(C6): 1.0, V(C6): 0.0}}
   - {T: 350, P: 10 atm, X: {Li(C6): 0.0, V(C6): 1.0}}
+
+Maskell-solid-solution:
+  setup:
+    file: thermo-models.yaml
+    phase: MaskellSolidSoln
+    known-failures:
+      g_eq_sum_gk_Xk: "Inconsistent implementation. See GitHub Issue #1321"
+      hk0_eq_uk0_plus_p_vk0/[234]:
+        "Inconsistent except at P = 1 atm. See GitHub Issue #1321"
+      cpk0_eq_dhk0dT/[234]:
+        "Inconsistent except at P = 1 atm. See GitHub Issue #1321"
+      standard_gibbs_nondim/[234]:
+        "Inconsistent except at P = 1 atm. See GitHub Issue #1321"
+      g_eq_h_minus_Ts/[34]:
+        "Generates NaN at limiting composition. See GitHub Issue #1321"
+      dsdP_const_T_eq_minus_dV_dT_const_P/[34]:
+        "Generates NaN at limiting composition. See GitHub Issue #1321"
+      chem_potentials_to_activities/[34]:
+        "Generates NaN at limiting composition. See GitHub Issue #1321"
+      activity_coeffs/[34]:
+        "Generates NaN at limiting composition. See GitHub Issue #1321"
+      activity_concentrations/[34]:
+        "Generates NaN at limiting composition. See GitHub Issue #1321"
+      log_activity_coeffs/[34]:
+        "Generates NaN at limiting composition. See GitHub Issue #1321"
+      h_eq_u_plus_Pv/4:
+        "Generates NaN at limiting composition. See GitHub Issue #1321"
+  states:
+  - {T: 300, P: 1 atm, X: {H(s): 0.3, He(s): 0.7}}
+  - {T: 340, P: 1 atm, X: {H(s): 0.3, He(s): 0.7}}
+  - {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}}
diff --git a/test/thermo/consistency.cpp b/test/thermo/consistency.cpp
index 46dd62c556..47ede5b83e 100644
--- a/test/thermo/consistency.cpp
+++ b/test/thermo/consistency.cpp
@@ -197,8 +197,13 @@ TEST_P(TestConsistency, cp_eq_sum_cpk_Xk)
 
 TEST_P(TestConsistency, cp_eq_dhdT)
 {
-    double h1 = phase->enthalpy_mole();
-    double cp1 = phase->cp_mole();
+    double h1, cp1;
+    try {
+        h1 = phase->enthalpy_mole();
+        cp1 = phase->cp_mole();
+    } catch (NotImplementedError& err) {
+        GTEST_SKIP() << err.getMethod() << " threw NotImplementedError";
+    }
     double T1 = phase->temperature();
     double dT = 1e-5 * phase->temperature();
     phase->setState_TP(T1 + dT, phase->pressure());
@@ -211,8 +216,13 @@ TEST_P(TestConsistency, cp_eq_dhdT)
 
 TEST_P(TestConsistency, cv_eq_dudT)
 {
-    double u1 = phase->intEnergy_mole();
-    double cv1 = phase->cv_mole();
+    double u1, cv1;
+    try {
+        u1 = phase->intEnergy_mole();
+        cv1 = phase->cv_mole();
+    } catch (NotImplementedError& err) {
+        GTEST_SKIP() << err.getMethod() << " threw NotImplementedError";
+    }
     double T1 = phase->temperature();
     double dT = 1e-5 * phase->temperature();
     if (phase->isCompressible()) {
@@ -229,8 +239,13 @@ TEST_P(TestConsistency, cv_eq_dudT)
 
 TEST_P(TestConsistency, cp_eq_dsdT_const_p_times_T)
 {
-    double s1 = phase->entropy_mole();
-    double cp1 = phase->cp_mole();
+    double s1, cp1;
+    try {
+        s1 = phase->entropy_mole();
+        cp1 = phase->cp_mole();
+    } catch (NotImplementedError& err) {
+        GTEST_SKIP() << err.getMethod() << " threw NotImplementedError";
+    }
     double T1 = phase->temperature();
     double dT = 1e-4 * phase->temperature();
     phase->setState_TP(T1 + dT, phase->pressure());
@@ -243,8 +258,13 @@ TEST_P(TestConsistency, cp_eq_dsdT_const_p_times_T)
 
 TEST_P(TestConsistency, cv_eq_dsdT_const_v_times_T)
 {
-    double s1 = phase->entropy_mole();
-    double cv1 = phase->cv_mole();
+    double s1, cv1;
+    try {
+        s1 = phase->entropy_mole();
+        cv1 = phase->cv_mole();
+    } catch (NotImplementedError& err) {
+        GTEST_SKIP() << err.getMethod() << " threw NotImplementedError";
+    }
     double T1 = phase->temperature();
     double dT = 1e-4 * phase->temperature();
     if (phase->isCompressible()) {
@@ -636,4 +656,10 @@ INSTANTIATE_TEST_SUITE_P(RedlichKister, TestConsistency,
         testing::ValuesIn(getStates("Redlich-Kister")))
 );
 
+INSTANTIATE_TEST_SUITE_P(MaskellSolidSolution, TestConsistency,
+    testing::Combine(
+        testing::Values(getSetup("Maskell-solid-solution")),
+        testing::ValuesIn(getStates("Maskell-solid-solution")))
+);
+
 }