Nominally finished the copy constructors/assignment operators

for the Kinetics class and friends.

However, I have not done any testing on this, none.

Cantera/src/kinetics/AqueousKinetics.cpp

@@ -30,7 +30,50 @@
 using namespace std;
 
 namespace Cantera {
+  //====================================================================================================================
+  AqueousKineticsData::AqueousKineticsData() :
+    m_logp_ref(0.0),
+    m_logc_ref(0.0),
+    m_ROP_ok(false),
+    m_temp(0.0)
+  {
+  }
+  //====================================================================================================================
+  AqueousKineticsData::~AqueousKineticsData()
+  {
+  }
+ //====================================================================================================================
+  AqueousKineticsData::AqueousKineticsData(const AqueousKineticsData &right) :
+    m_logp_ref(0.0),
+    m_logc_ref(0.0),
+    m_ROP_ok(false),
+    m_temp(0.0)
+  {
+    *this=right;
+  }
+  //====================================================================================================================
 
+  AqueousKineticsData&  AqueousKineticsData::operator=(const AqueousKineticsData &right)
+  {
+    if (this != &right) {
+      m_logp_ref = right.m_logp_ref;
+      m_logc_ref = right.m_logc_ref;
+      m_ropf = right.m_ropf;
+      m_ropr = right.m_ropr;
+      m_ropnet = right.m_ropnet;
+      m_rfn_low = right.m_rfn_low;
+      m_rfn_high = right.m_rfn_high;
+      m_ROP_ok  = right.m_ROP_ok;
+      m_temp = right.m_temp;
+      m_rfn = right.m_rfn;
+      m_rkcn = right.m_rkcn;
+    }
+    return *this;
+  }
+  //====================================================================================================================
+
+ 
+  //====================================================================================================================
   /**
    * Construct an empty reaction mechanism.
    */    
@@ -47,12 +90,70 @@ namespace Cantera {
     m_kdata->m_temp = 0.0;
     m_rxnstoich = new ReactionStoichMgr;
   }
-
+ //====================================================================================================================
+  AqueousKinetics::AqueousKinetics(const AqueousKinetics &right) :
+    Kinetics(),
+    m_kk(0), 
+    m_nfall(0), 
+    m_nirrev(0), 
+    m_nrev(0),
+    m_finalized(false)
+  {
+    *this = right;
+  }
+ //====================================================================================================================
   AqueousKinetics::~AqueousKinetics() {
     delete m_kdata; 
     delete m_rxnstoich;
-  }
+  } 
+  //====================================================================================================================
+   AqueousKinetics& AqueousKinetics::operator=(const AqueousKinetics &right)
+   {
+   if (this == &right) return *this;
 
+    Kinetics::operator=(right);
+   
+    m_kk = right.m_kk;
+    m_nfall = right.m_nfall;
+    m_rates = right.m_rates;
+    m_index = right.m_index;
+    m_irrev = right.m_irrev;
+
+    *m_rxnstoich = *(right.m_rxnstoich);
+
+    m_fwdOrder = right.m_fwdOrder;
+    m_nirrev = right.m_nirrev;
+    m_nrev = right.m_nrev;
+    m_rgroups = right.m_rgroups;
+    m_pgroups = right.m_pgroups;
+    m_rxntype = right.m_rxntype;
+    m_rrxn = right.m_rrxn;
+    m_prxn = right.m_prxn;
+    m_dn = right.m_dn;
+    m_revindex = right.m_revindex;
+    m_rxneqn = right.m_rxneqn;
+
+    *m_kdata = *(right.m_kdata);
+
+    m_conc = right.m_conc; 
+    m_grt = right.m_grt;
+    m_finalized = right.m_finalized;
+
+    throw CanteraError("GasKinetics::operator=()",
+		       "Unfinished implementation");
+
+    return *this;
+
+   }
+  //====================================================================================================================
+  Kinetics *AqueousKinetics::duplMyselfAsKinetics(const std::vector<thermo_t*> & tpVector) const
+  {
+    AqueousKinetics* gK = new AqueousKinetics(*this);
+    gK->assignShallowPointers(tpVector);
+    return dynamic_cast<Kinetics *>(gK);
+  }
+  
+  //====================================================================================================================
   /**
    * Update temperature-dependent portions of reaction rates and
    * falloff functions.

Cantera/src/kinetics/AqueousKinetics.h

@@ -46,18 +46,21 @@ namespace Cantera {
    */
   class AqueousKineticsData {
   public:
-    AqueousKineticsData() :
+    AqueousKineticsData();
-      m_logp_ref(0.0),
-      m_logc_ref(0.0),
-      m_ROP_ok(false),
-      m_temp(0.0)
-    {}
-    virtual ~AqueousKineticsData(){}
 
-    doublereal m_logp_ref, m_logc_ref;
+    ~AqueousKineticsData();
+
+    AqueousKineticsData(const AqueousKineticsData &right);
+
+    AqueousKineticsData& operator=(const AqueousKineticsData &right);
+
+    doublereal m_logp_ref;
+    doublereal m_logc_ref;
     array_fp m_ropf;
-    array_fp m_ropr, m_ropnet;
+    array_fp m_ropr;
-    array_fp m_rfn_low, m_rfn_high;
+    array_fp m_ropnet;
+    array_fp m_rfn_low;
+    array_fp m_rfn_high;
     bool m_ROP_ok;
 
     doublereal m_temp;
@@ -88,9 +91,27 @@ namespace Cantera {
     /// Constructor.
     AqueousKinetics(thermo_t* thermo = 0);
 
+    AqueousKinetics(const AqueousKinetics &right);
+
+    AqueousKinetics& operator=(const AqueousKinetics &right);
+
     /// Destructor.
     virtual ~AqueousKinetics();
 
+
+    //! Duplication routine for objects which inherit from Kinetics
+    /*!
+     *  This virtual routine can be used to duplicate %Kinetics objects
+     *  inherited from %Kinetics even if the application only has
+     *  a pointer to %Kinetics to work with.
+     *
+     *  These routines are basically wrappers around the derived copy  constructor.
+     *
+     * @param  tpVector Vector of shallow pointers to ThermoPhase objects. this is the
+     *                  m_thermo vector within this object
+     */
+    virtual Kinetics *duplMyselfAsKinetics(const std::vector<thermo_t*> & tpVector) const;
+
     virtual int ID() const { return cAqueousKinetics; }
     virtual int type() const { return cAqueousKinetics; }
 

Cantera/src/kinetics/EdgeKinetics.h

@@ -37,6 +37,38 @@ namespace Cantera {
         /// Destructor.
         virtual ~EdgeKinetics() {}
 
+        EdgeKinetics(const EdgeKinetics &right) :
+          InterfaceKinetics(right)
+        {
+          *this=right;
+        }
+
+        EdgeKinetics & operator=(const EdgeKinetics &right)
+        {
+          if (this != &right) {
+            InterfaceKinetics::operator=(right);
+          }
+          return *this;
+        }
+
+        //! Duplication routine for objects which inherit from Kinetics
+        /*!
+         *  This virtual routine can be used to duplicate %Kinetics objects
+         *  inherited from %Kinetics even if the application only has
+         *  a pointer to %Kinetics to work with.
+         *
+         *  These routines are basically wrappers around the derived copy  constructor.
+         *
+         * @param  tpVector Vector of shallow pointers to ThermoPhase objects. this is the
+         *                  m_thermo vector within this object
+         */
+        virtual Kinetics *duplMyselfAsKinetics(const std::vector<thermo_t*> & tpVector) const
+        {
+          EdgeKinetics* iK = new EdgeKinetics(*this);
+          iK->assignShallowPointers(tpVector);
+          return dynamic_cast<Kinetics *>(iK);
+        }
+
 	/**
 	 * Identifies the subclass of the Kinetics manager type.
 	 * These are listed in mix_defs.h.

Cantera/src/kinetics/InterfaceKinetics.cpp

@@ -24,7 +24,45 @@
 using namespace std;
 
 namespace Cantera {
-
+  //====================================================================================================================
+  InterfaceKineticsData::InterfaceKineticsData() :
+    m_logp0(0.0),
+    m_logc0(0.0),
+    m_ROP_ok(false),
+    m_temp(0.0), 
+    m_logtemp(0.0)
+  {
+  }
+  //====================================================================================================================
+ InterfaceKineticsData:: InterfaceKineticsData(const InterfaceKineticsData &right) :
+   m_logp0(0.0),
+    m_logc0(0.0),
+    m_ROP_ok(false),
+    m_temp(0.0), 
+    m_logtemp(0.0)
+  {
+    *this = right;
+  }
+  //====================================================================================================================
+  InterfaceKineticsData::~InterfaceKineticsData() 
+  {
+  }
+  //====================================================================================================================
+  InterfaceKineticsData & InterfaceKineticsData::operator=(const InterfaceKineticsData &right)
+  {
+    if (this == &right) return *this;
+    m_logp0 = right.m_logp0;
+    m_logc0 = right.m_logc0;
+    m_ropf = right.m_ropf;
+    m_ropr = right.m_ropr;
+    m_ropnet = right.m_ropnet;
+    m_ROP_ok = right.m_ROP_ok;
+    m_temp = right.m_temp;
+    m_logtemp = right.m_logtemp;
+    m_rfn = right.m_rfn;
+    m_rkcn = right.m_rkcn;
+    return *this;
+  }
   //====================================================================================================================
   /*
    * Construct an empty InterfaceKinetics reaction mechanism.
@@ -136,8 +174,7 @@ namespace Cantera {
 
     Kinetics::operator=(right);
 
-    
+    m_grt                  = right.m_grt;
-
     m_kk                   = right.m_kk;
     m_revindex             = right.m_revindex;
     m_rates                = right.m_rates;
@@ -150,7 +187,8 @@ namespace Cantera {
     m_rrxn                 = right.m_rrxn;
     m_prxn                 = right.m_prxn;
     m_rxneqn               = right.m_rxneqn;
-    *m_kdata               = *right.m_kdata;  // needs to be developed
+    *m_kdata               = *right.m_kdata; 
+    m_conc                 = right.m_conc;
     m_mu0                  = right.m_mu0;
     m_phi                  = right.m_phi;
     m_pot                  = right.m_pot;
@@ -171,7 +209,6 @@ namespace Cantera {
     m_phaseExistsCheck     = right.m_phaseExistsCheck;
     m_phaseExists          = right.m_phaseExists;
 
-
     m_rxnPhaseIsReactant.resize(m_ii, 0);
     m_rxnPhaseIsProduct.resize(m_ii, 0);
     int np = nPhases();
@@ -183,7 +220,7 @@ namespace Cantera {
 	m_rxnPhaseIsProduct[i][p] = right.m_rxnPhaseIsProduct[i][p];  
       }
     }
-    m_rxnPhaseIsProduct    = right.m_rxnPhaseIsProduct;
+
     m_ioFlag               = right.m_ioFlag;
 
     return *this;
@@ -197,17 +234,6 @@ namespace Cantera {
   int InterfaceKinetics::type() const {
     return cInterfaceKinetics; 
   }
-  //====================================================================================================================
-  // Set the electric potential in the nth phase
-  /*
-   * @param n phase Index in this kinetics object.
-   * @param V Electric potential (volts)
-   */
-  void InterfaceKinetics::setElectricPotential(int n, doublereal V) {
-    thermo(n).setElectricPotential(V);
-    m_redo_rates = true;
-  }
-
   //====================================================================================================================
   // Duplication routine for objects which inherit from Kinetics
   /*
@@ -227,6 +253,16 @@ namespace Cantera {
     return dynamic_cast<Kinetics *>(iK);
   }
   //====================================================================================================================
+  // Set the electric potential in the nth phase
+  /*
+   * @param n phase Index in this kinetics object.
+   * @param V Electric potential (volts)
+   */
+  void InterfaceKinetics::setElectricPotential(int n, doublereal V) {
+    thermo(n).setElectricPotential(V);
+    m_redo_rates = true;
+  }
+  //====================================================================================================================
   // Update properties that depend on temperature
   /*
    *  This is called to update all of the properties that depend on temperature

Cantera/src/kinetics/InterfaceKinetics.h

@@ -44,16 +44,17 @@ namespace Cantera {
    */
   class InterfaceKineticsData {
   public:
-    InterfaceKineticsData() :
+    InterfaceKineticsData();
-      m_logp0(0.0),
+
-      m_logc0(0.0),
+    InterfaceKineticsData(const InterfaceKineticsData &right);
-      m_ROP_ok(false),
+
-      m_temp(0.0), 
+    InterfaceKineticsData &operator=(const InterfaceKineticsData &right);
-      m_logtemp(0.0)
+
-    {}
     //! Virtual destructor
-    virtual ~InterfaceKineticsData() {
+    /*!
-    }
+     * todo - why is this virtual
+     */
+    virtual ~InterfaceKineticsData();
 
     doublereal m_logp0;
     doublereal m_logc0;