modified syntax for consistency with other code, added comment for in…

…terface_current
Cantera · Oct 10, 2022 · ba5d5f8 · ba5d5f8
1 parent 9fa8d30
commit ba5d5f8
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Showing 5 changed files with 28 additions and 19 deletions.
diff --git a/include/cantera/kinetics/InterfaceKinetics.h b/include/cantera/kinetics/InterfaceKinetics.h
@@ -287,7 +287,16 @@ class InterfaceKinetics : public Kinetics
      */
     int phaseStability(const size_t iphase) const;
 
-    double InterfaceCurrent(int iPhase);
+    //! Gets the interface current for the ith phaseExistence
+    /*!
+    * @param iphase Phase Id
+    * @return The double specifying the interface current. The interface Current
+    *         is useful when charge transfer reactions occur at an interface. It
+    *         is defined here as the net positive charge entering the phase
+    *         specified by the Phase Id. (Units: A/m^2 for a surface reaction,
+    *         A/m for an edge reaction).
+    */
+    double InterfaceCurrent(const size_t iphase);
 
 protected:
     //! Temporary work vector of length m_kk

diff --git a/interfaces/cython/cantera/kinetics.pxd b/interfaces/cython/cantera/kinetics.pxd
@@ -69,7 +69,7 @@ cdef extern from "cantera/kinetics/InterfaceKinetics.h":
     cdef cppclass CxxInterfaceKinetics "Cantera::InterfaceKinetics":
         void advanceCoverages(double, double, double, double, size_t, size_t) except +translate_exception
         void solvePseudoSteadyStateProblem() except +translate_exception
-        double InterfaceCurrent(int) except +translate_exception
+        double InterfaceCurrent(size_t) except +translate_exception
 
 
 cdef extern from "cantera/cython/kinetics_utils.h":

diff --git a/interfaces/cython/cantera/kinetics.pyx b/interfaces/cython/cantera/kinetics.pyx
@@ -886,8 +886,8 @@ cdef class InterfaceKinetics(Kinetics):
         an interface. It is defined here as the net positive charge entering the
         phase ``phase`` (Units: A/m^2 for a surface, A/m for an edge reaction).
         """
-        iPhase = self.phase_index(phase)
-        return (<CxxInterfaceKinetics*>self.kinetics).InterfaceCurrent(iPhase)
+        i_phase = self.phase_index(phase)
+        return (<CxxInterfaceKinetics*>self.kinetics).InterfaceCurrent(i_phase)
 
     def write_yaml(self, filename, phases=None, units=None, precision=None,
                    skip_user_defined=None):

diff --git a/src/kinetics/InterfaceKinetics.cpp b/src/kinetics/InterfaceKinetics.cpp
@@ -595,30 +595,30 @@ void InterfaceKinetics::setPhaseStability(const size_t iphase, const int isStabl
     }
 }
 
-double InterfaceKinetics::InterfaceCurrent(int iPhase)
+double InterfaceKinetics::InterfaceCurrent(const size_t iphase)
 {
-    int sp = thermo(iPhase).nSpecies();
-    double charge_k[sp];
-    double net_k[sp];
-    doublereal netprods[m_kk];
+    int nSp = thermo(iphase).nSpecies();
+    double charge_k[nSp];
+    double sdot_k[nSp];
+    doublereal netProdRates[m_kk];
 
-    thermo(iPhase).getCharges(charge_k);
+    thermo(iphase).getCharges(charge_k);
 
-    getNetProductionRates(netprods);
+    getNetProductionRates(netProdRates);
 
-    for(int k=0; k<sp; k++)
+    for(int k=0; k<nSp; k++)
     {
-        net_k[k] = netprods[m_start[iPhase]+k];
+        sdot_k[k] = netProdRates[m_start[iphase]+k];
     }
 
-    double out = 0.0;
+    double dotProduct = 0.0;
 
-    for(int k=0; k<sp; k++)
+    for(int k=0; k<nSp; k++)
     {
-        out += charge_k[k]*net_k[k];
+        dotProduct += charge_k[k]*sdot_k[k];
     }
 
-    return out*Faraday;
+    return dotProduct*Faraday;
 }
 
 }
diff --git a/test/python/test_kinetics.py b/test/python/test_kinetics.py
@@ -1083,11 +1083,11 @@ def test_interface_current(self):
         phases = [anode_int, anode, elect, elyte]
 
         for p in phases:
-            productions = anode_int.get_net_production_rates(p)
+            net_prod_rates = anode_int.get_net_production_rates(p)
             charges = p.charges
 
             method = anode_int.interface_current(p)
-            manual = sum(productions*charges)*ct.faraday
+            manual = sum(net_prod_rates*charges)*ct.faraday
 
             self.assertEqual(method,manual)