[Thermo] Remove incorrect partialMolarCp from RedlichKwong

Cantera · Mar 14, 2022 · 83b65c4 · 83b65c4
1 parent 719275e
commit 83b65c4
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Showing 3 changed files with 20 additions and 19 deletions.
diff --git a/include/cantera/thermo/RedlichKwongMFTP.h b/include/cantera/thermo/RedlichKwongMFTP.h
@@ -117,7 +117,9 @@ class RedlichKwongMFTP : public MixtureFugacityTP
     virtual void getPartialMolarEnthalpies(doublereal* hbar) const;
     virtual void getPartialMolarEntropies(doublereal* sbar) const;
     virtual void getPartialMolarIntEnergies(doublereal* ubar) const;
-    virtual void getPartialMolarCp(doublereal* cpbar) const;
+    virtual void getPartialMolarCp(double* cpbar) const {
+        throw NotImplementedError("RedlichKwongMFTP::getPartialMolarCp");
+    }
     virtual void getPartialMolarVolumes(doublereal* vbar) const;
     //! @}
 

diff --git a/interfaces/cython/cantera/test/test_convert.py b/interfaces/cython/cantera/test/test_convert.py
@@ -663,20 +663,22 @@ def checkConversion(self, basename, cls=ct.Solution, ctiphases=(),
 
         return ctiPhase, yamlPhase
 
-    def checkThermo(self, ctiPhase, yamlPhase, temperatures, tol=1e-7):
+    def checkThermo(self, ctiPhase, yamlPhase, temperatures, tol=1e-7, check_cp=True):
         for T in temperatures:
             ctiPhase.TP = T, ct.one_atm
             yamlPhase.TP = T, ct.one_atm
-            cp_cti = ctiPhase.partial_molar_cp
-            cp_yaml = yamlPhase.partial_molar_cp
+            if check_cp:
+                cp_cti = ctiPhase.partial_molar_cp
+                cp_yaml = yamlPhase.partial_molar_cp
             h_cti = ctiPhase.partial_molar_enthalpies
             h_yaml = yamlPhase.partial_molar_enthalpies
             s_cti = ctiPhase.partial_molar_entropies
             s_yaml = yamlPhase.partial_molar_entropies
             self.assertNear(ctiPhase.density, yamlPhase.density)
             for i in range(ctiPhase.n_species):
                 message = ' for species {0} at T = {1}'.format(i, T)
-                self.assertNear(cp_cti[i], cp_yaml[i], tol, msg='cp'+message)
+                if check_cp:
+                    self.assertNear(cp_cti[i], cp_yaml[i], tol, msg='cp'+message)
                 self.assertNear(h_cti[i], h_yaml[i], tol, msg='h'+message)
                 self.assertNear(s_cti[i], s_yaml[i], tol, msg='s'+message)
 
@@ -779,13 +781,13 @@ def test_Redlich_Kwong_CO2(self):
         ctiGas, yamlGas = self.checkConversion('co2_RK_example')
         for P in [1e5, 2e6, 1.3e7]:
             yamlGas.TP = ctiGas.TP = 300, P
-            self.checkThermo(ctiGas, yamlGas, [300, 400, 500])
+            self.checkThermo(ctiGas, yamlGas, [300, 400, 500], check_cp=False)
 
     @utilities.slow_test
     def test_Redlich_Kwong_ndodecane(self):
         self.convert("nDodecane_Reitz", self.cantera_data_path)
         ctiGas, yamlGas = self.checkConversion('nDodecane_Reitz')
-        self.checkThermo(ctiGas, yamlGas, [300, 400, 500])
+        self.checkThermo(ctiGas, yamlGas, [300, 400, 500], check_cp=False)
         self.checkKinetics(ctiGas, yamlGas, [300, 500, 1300], [1e5, 2e6, 1.4e7],
                            1e-6)
 
@@ -889,20 +891,23 @@ def checkConversion(self, basename, cls=ct.Solution, ctmlphases=(),
 
         return ctmlPhase, yamlPhase
 
-    def checkThermo(self, ctmlPhase, yamlPhase, temperatures, pressure=ct.one_atm, tol=1e-7):
+    def checkThermo(self, ctmlPhase, yamlPhase, temperatures, pressure=ct.one_atm,
+                    tol=1e-7, check_cp=True):
         for T in temperatures:
             ctmlPhase.TP = T, pressure
             yamlPhase.TP = T, pressure
-            cp_ctml = ctmlPhase.partial_molar_cp
-            cp_yaml = yamlPhase.partial_molar_cp
+            if check_cp:
+                cp_ctml = ctmlPhase.partial_molar_cp
+                cp_yaml = yamlPhase.partial_molar_cp
             h_ctml = ctmlPhase.partial_molar_enthalpies
             h_yaml = yamlPhase.partial_molar_enthalpies
             s_ctml = ctmlPhase.partial_molar_entropies
             s_yaml = yamlPhase.partial_molar_entropies
             self.assertNear(ctmlPhase.density, yamlPhase.density)
             for i in range(ctmlPhase.n_species):
                 message = ' for species {0} at T = {1}'.format(ctmlPhase.species_names[i], T)
-                self.assertNear(cp_ctml[i], cp_yaml[i], tol, msg='cp'+message)
+                if check_cp:
+                    self.assertNear(cp_ctml[i], cp_yaml[i], tol, msg='cp'+message)
                 self.assertNear(h_ctml[i], h_yaml[i], tol, msg='h'+message)
                 self.assertNear(s_ctml[i], s_yaml[i], tol, msg='s'+message)
 
@@ -1002,13 +1007,13 @@ def test_Redlich_Kwong_CO2(self):
         ctmlGas, yamlGas = self.checkConversion('co2_RK_example')
         for P in [1e5, 2e6, 1.3e7]:
             yamlGas.TP = ctmlGas.TP = 300, P
-            self.checkThermo(ctmlGas, yamlGas, [300, 400, 500])
+            self.checkThermo(ctmlGas, yamlGas, [300, 400, 500], check_cp=False)
 
     @utilities.slow_test
     def test_Redlich_Kwong_ndodecane(self):
         self.convert("nDodecane_Reitz", self.cantera_data_path)
         ctmlGas, yamlGas = self.checkConversion('nDodecane_Reitz')
-        self.checkThermo(ctmlGas, yamlGas, [300, 400, 500])
+        self.checkThermo(ctmlGas, yamlGas, [300, 400, 500], check_cp=False)
         self.checkKinetics(ctmlGas, yamlGas, [300, 500, 1300], [1e5, 2e6, 1.4e7],
                            1e-6)
 

diff --git a/src/thermo/RedlichKwongMFTP.cpp b/src/thermo/RedlichKwongMFTP.cpp
@@ -341,12 +341,6 @@ void RedlichKwongMFTP::getPartialMolarIntEnergies(doublereal* ubar) const
     scale(ubar, ubar+m_kk, ubar, RT());
 }
 
-void RedlichKwongMFTP::getPartialMolarCp(doublereal* cpbar) const
-{
-    getCp_R(cpbar);
-    scale(cpbar, cpbar+m_kk, cpbar, GasConstant);
-}
-
 void RedlichKwongMFTP::getPartialMolarVolumes(doublereal* vbar) const
 {
     for (size_t k = 0; k < m_kk; k++) {