Moved WaterPropsIAPWS inside the Cantera namespace. I can't remember why it wasn't in the first place.

Added a WaterProps object to PDSS_Water. This object will be worked into all of the other objects , and also used within the transport directory.

Cantera/src/thermo/PDSS_Water.cpp

@@ -11,17 +11,18 @@
  * $Id: PDSS_Water.cpp,v 1.15 2008/12/22 22:40:44 hkmoffa Exp $
  */
 #include "ct_defs.h"
+
 #include "xml.h"
 #include "ctml.h"
 #include "PDSS_Water.h"
+
 #include "WaterPropsIAPWS.h"
 #include "ThermoFactory.h"
+#include "WaterProps.h"
+#include "VPStandardStateTP.h"
 
 #include <cmath>
 
-
-#include "VPStandardStateTP.h"
-
 namespace Cantera {
   /**
    * Basic list of constructors and duplicators
@@ -29,24 +30,7 @@ namespace Cantera {
   PDSS_Water::PDSS_Water() :
     PDSS(),
     m_sub(0),
-    m_dens(1000.0),
-    m_iState(WATER_LIQUID),
-    EW_Offset(0.0),
-    SW_Offset(0.0),
-    m_verbose(0),
-    m_allowGasPhase(false)
-  {
-    m_pdssType = cPDSS_WATER;
-    m_sub = new WaterPropsIAPWS();  
-    m_spthermo = 0;
-    constructSet();
-    m_minTemp = 200.;
-    m_maxTemp = 10000.;
-  }
-
-  PDSS_Water::PDSS_Water(VPStandardStateTP *tp, int spindex) :
-    PDSS(tp, spindex),
-    m_sub(0),
+    m_waterProps(0),
     m_dens(1000.0),
     m_iState(WATER_LIQUID),
     EW_Offset(0.0),
@@ -56,6 +40,27 @@ namespace Cantera {
   {
     m_pdssType = cPDSS_WATER;
     m_sub = new WaterPropsIAPWS();
+    m_waterProps =  new WaterProps(m_sub);
+    m_spthermo = 0;
+    constructSet();
+    m_minTemp = 200.;
+    m_maxTemp = 10000.;
+  }
+
+  PDSS_Water::PDSS_Water(VPStandardStateTP *tp, int spindex) :
+    PDSS(tp, spindex),
+    m_sub(0), 
+    m_waterProps(0),
+    m_dens(1000.0),
+    m_iState(WATER_LIQUID),
+    EW_Offset(0.0),
+    SW_Offset(0.0),
+    m_verbose(0),
+    m_allowGasPhase(false)
+  {
+    m_pdssType = cPDSS_WATER;
+    m_sub = new WaterPropsIAPWS();
+    m_waterProps =  new WaterProps(m_sub);
     m_spthermo = 0;
     constructSet();
     m_minTemp = 200.;
@@ -67,6 +72,7 @@ namespace Cantera {
 		       std::string inputFile, std::string id) :
     PDSS(tp, spindex),
     m_sub(0),
+    m_waterProps(0),
     m_dens(1000.0),
     m_iState(WATER_LIQUID),
     EW_Offset(0.0),
@@ -75,7 +81,8 @@ namespace Cantera {
     m_allowGasPhase(false)
   {
     m_pdssType = cPDSS_WATER;
-    m_sub = new WaterPropsIAPWS();  
+    m_sub = new WaterPropsIAPWS();
+    m_waterProps =  new WaterProps(m_sub); 
     constructPDSSFile(tp, spindex, inputFile, id);
     m_spthermo = 0;
     m_minTemp = 200.;
@@ -87,6 +94,7 @@ namespace Cantera {
 			 const XML_Node& phaseRoot, bool spInstalled) :
     PDSS(tp, spindex),
     m_sub(0),
+    m_waterProps(0),
     m_dens(1000.0),
     m_iState(WATER_LIQUID),
     EW_Offset(0.0),
@@ -96,6 +104,7 @@ namespace Cantera {
   {
     m_pdssType = cPDSS_WATER;
     m_sub = new WaterPropsIAPWS();
+    m_waterProps =  new WaterProps(m_sub);
     std::string id= "";
     constructPDSSXML(tp, spindex, phaseRoot, id) ;
     initThermo();
@@ -109,6 +118,7 @@ namespace Cantera {
   PDSS_Water::PDSS_Water(const PDSS_Water &b) :
     PDSS(),
     m_sub(0),
+    m_waterProps(0),
     m_dens(1000.0),
     m_iState(WATER_LIQUID),
     EW_Offset(b.EW_Offset),
@@ -116,7 +126,7 @@ namespace Cantera {
     m_verbose(b.m_verbose),
     m_allowGasPhase(b.m_allowGasPhase)
   {
-    m_sub = new WaterPropsIAPWS();  
+    m_sub = new WaterPropsIAPWS();
     /*
      * Use the assignment operator to do the brunt
      * of the work for the copy construtor.
@@ -134,7 +144,16 @@ namespace Cantera {
      */
     PDSS::operator=(b);
 
+    if (!m_sub) {
+      m_sub = new WaterPropsIAPWS();
+    }
     m_sub->operator=(*(b.m_sub));
+
+    if (!m_waterProps) {
+      m_waterProps = new WaterProps(m_sub);
+    }
+    m_waterProps->operator=(*(b.m_waterProps));
+
     m_dens          = b.m_dens;
     m_iState        = b.m_iState;
     EW_Offset       = b.EW_Offset;
@@ -145,8 +164,9 @@ namespace Cantera {
     return *this;
   }
 
-  PDSS_Water::~PDSS_Water() { 
-    delete m_sub; 
+  PDSS_Water::~PDSS_Water() {
+    delete m_waterProps;
+    delete m_sub;
   }
 
   PDSS *PDSS_Water::duplMyselfAsPDSS() const {

Cantera/src/thermo/PDSS_Water.h

@@ -14,15 +14,19 @@
  *  $Revision: 1.11 $
  */
 
-#ifndef CT_WATERPDSS_H
-#define CT_WATERPDSS_H
+#ifndef CT_PDSS_WATER_H
+#define CT_PDSS_WATER_H
+
 #include "ct_defs.h"
 #include "PDSS.h"
 #include "VPStandardStateTP.h"
 
-class WaterPropsIAPWS;
+
+
 
 namespace Cantera {
+  class WaterPropsIAPWS;
+  class WaterProps;
 
   //!  Class for the liquid water pressure dependent 
   //!  standard state
@@ -387,11 +391,16 @@ namespace Cantera {
      */
     virtual doublereal satPressure(doublereal t);
 
-    //! Get a pointer to the WaterPropsIAPWS object
-    WaterPropsIAPWS *getWater() const {
+    //! Get a pointer to a changeable WaterPropsIAPWS object
+    WaterPropsIAPWS *getWater() {
       return m_sub;
     }
 
+    //! Get a pointer to a changeable WaterPropsIAPWS object
+    WaterProps *getWaterProps() {
+      return m_waterProps;
+    }
+
     /**
      * @} 
      * @name Initialization of the Object
@@ -485,13 +494,23 @@ namespace Cantera {
 
   private:
 
-    //! Pointer to the WaterProps object, which does the actual calculations
+    //! Pointer to the WaterPropsIAPWS object, which does the actual calculations
     //! for the real equation of state
     /*!
      * This object owns m_sub
      */
     mutable WaterPropsIAPWS *m_sub;
 
+    //! Pointer to the WaterProps object
+    /*!
+     *   This class is used to house several approximation
+     *   routines for properties of water.
+     *
+     * This object owns m_waterProps, and the WaterPropsIAPWS object used by
+     * WaterProps is m_sub, which is defined above.
+     */
+    WaterProps *m_waterProps;
+
     //! State of the system - density
     /*!
      * Density is the independent variable here, but it's hidden behind the

Cantera/src/thermo/WaterProps.cpp

@@ -54,6 +54,19 @@ namespace Cantera {
     }
   }
 
+  WaterProps::WaterProps(WaterPropsIAPWS *waterIAPWS)  :
+    m_waterIAPWS(0),
+    m_own_sub(false)
+  {
+    if (waterIAPWS) {
+      m_waterIAPWS = waterIAPWS;
+      m_own_sub = false;
+    } else {
+      m_waterIAPWS = new WaterPropsIAPWS();
+      m_own_sub = true;
+    }
+  }
+
   /**
    * Copy constructor
    */

Cantera/src/thermo/WaterProps.h

@@ -19,8 +19,8 @@
 
 
 #include "ct_defs.h"
-class WaterPropsIAPWS;
 namespace Cantera {
+  class WaterPropsIAPWS;
   class PDSS_Water;
  
   /**
@@ -115,6 +115,12 @@ namespace Cantera {
     //! Default constructor
     WaterProps();
 
+    //! Constructor with pointer to Water PDSS object
+    /*!
+     * @param wptr Pointer to WaterPropsIAPWS object
+     */
+    WaterProps(WaterPropsIAPWS *wptr);
+
     //! Constructor with pointer to Water PDSS object
     /*!
      * @param wptr Pointer to water standard state object

Cantera/src/thermo/WaterPropsIAPWS.cpp

@@ -19,6 +19,8 @@
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
+
+namespace Cantera {
 /*
  * Critical Point values of water in mks units
  */
@@ -872,3 +874,5 @@ doublereal WaterPropsIAPWS::molarVolume() const {
   doublereal rho = delta * Rho_c;
   return (M_water / rho);
 }
+
+};

Cantera/src/thermo/WaterPropsIAPWS.h

@@ -18,6 +18,8 @@
 
 #include "WaterPropsIAPWSphi.h"
 #include "config.h"
+
+namespace Cantera {
 /**
  *  @name Names for the phase regions
  *
@@ -470,4 +472,6 @@ private:
   //! Current state of the system
   mutable int iState;
 };
+
+}
 #endif

Cantera/src/thermo/WaterSSTP.h

@@ -17,10 +17,10 @@
 
 #include "SingleSpeciesTP.h"
 
-class WaterPropsIAPWS;
 
 namespace Cantera {
     
+  class WaterPropsIAPWS;
   //!  Class for single-component water. This is designed to cover just the
   //!  liquid part of water.
   /*!