From 95b94a7a578404ffdb1b648d9e425bd787cbef99 Mon Sep 17 00:00:00 2001
From: Harry Moffat <hkmoffa@sandia.gov>
Date: Wed, 2 Sep 2009 19:03:26 +0000
Subject: [PATCH] Added IonsFromNeutraVPSSTP to the ThermoFactory.

---
 Cantera/src/thermo/IonsFromNeutralVPSSTP.cpp | 17 ++++++++++++++++-
 Cantera/src/thermo/IonsFromNeutralVPSSTP.h   |  1 +
 Cantera/src/thermo/ThermoFactory.cpp         | 12 +++++++++---
 Cantera/src/thermo/mix_defs.h                |  3 ++-
 4 files changed, 28 insertions(+), 5 deletions(-)

diff --git a/Cantera/src/thermo/IonsFromNeutralVPSSTP.cpp b/Cantera/src/thermo/IonsFromNeutralVPSSTP.cpp
index 365ab3354..462a58b73 100644
--- a/Cantera/src/thermo/IonsFromNeutralVPSSTP.cpp
+++ b/Cantera/src/thermo/IonsFromNeutralVPSSTP.cpp
@@ -52,6 +52,7 @@ namespace Cantera {
     numAnionSpecies_(0),
     numPassThroughSpecies_(0),
     neutralMoleculePhase_(0),
+    IOwnNThermoPhase_(true),
     cationPhase_(0),
     anionPhase_(0)
   {
@@ -76,9 +77,13 @@ namespace Cantera {
     numAnionSpecies_(0),
     numPassThroughSpecies_(0),
     neutralMoleculePhase_(neutralPhase),
+    IOwnNThermoPhase_(true),
     cationPhase_(0),
     anionPhase_(0)
   {
+    if (neutralPhase) {
+      IOwnNThermoPhase_ = false;
+    }
     constructPhaseFile(inputFile, id);
   }
 
@@ -93,9 +98,13 @@ namespace Cantera {
     numAnionSpecies_(0),
     numPassThroughSpecies_(0),
     neutralMoleculePhase_(neutralPhase),
+    IOwnNThermoPhase_(true),
     cationPhase_(0),
     anionPhase_(0)
   {
+    if (neutralPhase) {
+      IOwnNThermoPhase_ = false;
+    }
     constructPhaseXML(phaseRoot, id);
   }
 
@@ -117,6 +126,7 @@ namespace Cantera {
     numAnionSpecies_(0),
     numPassThroughSpecies_(0),
     neutralMoleculePhase_(0),
+    IOwnNThermoPhase_(true),
     cationPhase_(0),
     anionPhase_(0)
   {
@@ -153,6 +163,7 @@ namespace Cantera {
     if (neutralMoleculePhase_) {
       exit(-1);
     }
+    IOwnNThermoPhase_           = b.IOwnNThermoPhase_;
 
     cationPhase_                = b.cationPhase_;
     anionPhase_                 = b.anionPhase_;
@@ -169,6 +180,10 @@ namespace Cantera {
    *
    */
   IonsFromNeutralVPSSTP::~IonsFromNeutralVPSSTP() {
+    if (IOwnNThermoPhase_) {
+      delete neutralMoleculePhase_;
+      neutralMoleculePhase_=0;
+    }
   }
 
   /*
@@ -195,7 +210,7 @@ namespace Cantera {
    * zero, as it is a non-complete class.
    */
   int IonsFromNeutralVPSSTP::eosType() const { 
-    return cIonFromNeutral;
+    return cIonsFromNeutral;
   }
 
  
diff --git a/Cantera/src/thermo/IonsFromNeutralVPSSTP.h b/Cantera/src/thermo/IonsFromNeutralVPSSTP.h
index 33c92858e..fdba28fbd 100644
--- a/Cantera/src/thermo/IonsFromNeutralVPSSTP.h
+++ b/Cantera/src/thermo/IonsFromNeutralVPSSTP.h
@@ -663,6 +663,7 @@ namespace Cantera {
   public:
     ThermoPhase *neutralMoleculePhase_;
   protected:
+    bool IOwnNThermoPhase_;
     //! ThermoPhase for the cation lattice
     /*!
      *  Currently this is unimplemented and may be deleted
diff --git a/Cantera/src/thermo/ThermoFactory.cpp b/Cantera/src/thermo/ThermoFactory.cpp
index 288c6c414..a85db6f0e 100644
--- a/Cantera/src/thermo/ThermoFactory.cpp
+++ b/Cantera/src/thermo/ThermoFactory.cpp
@@ -28,6 +28,7 @@
 #ifdef WITH_IDEAL_SOLUTIONS
 #include "IdealSolidSolnPhase.h"
 #include "MargulesVPSSTP.h"
+#include "IonsFromNeutralVPSSTP.h"
 #endif
 
 #ifdef WITH_PURE_FLUIDS
@@ -86,13 +87,14 @@ namespace Cantera {
     boost::mutex ThermoFactory::thermo_mutex;
 #endif
 
-    static int ntypes = 17;
+    static int ntypes = 18;
     static string _types[] = {"IdealGas", "Incompressible", 
                               "Surface", "Edge", "Metal", "StoichSubstance",
                               "PureFluid", "LatticeSolid", "Lattice",
                               "HMW", "IdealSolidSolution", "DebyeHuckel", 
                               "IdealMolalSolution", "IdealGasVPSS",
-			      "MineralEQ3", "electrodeElectron", "Margules"
+			      "MineralEQ3", "electrodeElectron", "Margules",
+                              "IonsFromNeutralMolecule"
     };
 
     static int _itypes[]   = {cIdealGas, cIncompressible, 
@@ -101,7 +103,7 @@ namespace Cantera {
                               cHMW, cIdealSolidSolnPhase, cDebyeHuckel,
                               cIdealMolalSoln, cVPSS_IdealGas,
 			      cMineralEQ3, cElectrodeElectron,
-			      cMargulesVPSSTP
+			      cMargulesVPSSTP, cIonsFromNeutral
     };
 
   /*
@@ -142,6 +144,10 @@ namespace Cantera {
     case cMargulesVPSSTP:
       th = new MargulesVPSSTP();
       break;
+
+    case cIonsFromNeutral:
+      th = new IonsFromNeutralVPSSTP();
+      break;
 #endif
 
 #ifdef WITH_METAL
diff --git a/Cantera/src/thermo/mix_defs.h b/Cantera/src/thermo/mix_defs.h
index cd5f6f3df..05954fada 100755
--- a/Cantera/src/thermo/mix_defs.h
+++ b/Cantera/src/thermo/mix_defs.h
@@ -72,7 +72,8 @@ namespace Cantera {
 
   const int cMargulesVPSSTP = 301;
 
-  const int cIonFromNeutral = 2000;
+
+  const int cIonsFromNeutral = 2000;
 
   //! Variable Pressure Standard State ThermoPhase objects
   const int cVPSS_IdealGas     = 1001;