More work with LatticeSolidPhase.

Still not ready for prime time.

Cantera/src/thermo/LatticeSolidPhase.cpp

@@ -249,6 +249,38 @@ namespace Cantera {
     }
   }
   //====================================================================================================================
+  void LatticeSolidPhase::installSlavePhases(Cantera::XML_Node* phaseNode) 
+  {
+    int m, k;
+    for (int n = 0; n < m_nlattice; n++) {
+      LatticePhase *lp = m_lattice[n];
+      int nsp =  lp->nSpecies();
+      vector<doublereal> constArr(lp->nElements());
+      for (k = 0; k < nsp; k++) {
+	std::string sname = lp->speciesName(k);
+	std::map<std::string, double> comp;
+	lp->getAtoms(k, DATA_PTR(constArr));
+	for (m = 0; m < lp->nElements(); m++) {
+	  if (constArr[m] != 0.0) {
+	    std::string ename = lp->elementName(m);
+	    comp[ename] = constArr[m];
+	  }
+	}
+	int nel = nElements();
+	vector_fp ecomp(nel, 0.0);            
+	for (m = 0; m < nel; m++) {
+	  double anum = comp[elementName(m)];
+	  if (anum  != 0.0) {
+	    ecomp[m] = anum;
+	  }
+	}
+	double chrg = lp->charge(k);
+	double sz = lp->size(k);
+        addUniqueSpecies(sname, &ecomp[0], chrg, sz);
+      }
+    }
+  }
+  //====================================================================================================================
   void LatticeSolidPhase::initThermo() {
     m_kk = nSpecies();
     m_mm = nElements();

Cantera/src/thermo/LatticeSolidPhase.h

@@ -274,6 +274,12 @@ namespace Cantera {
 
     virtual void initThermo();
 
+    //! Add in species from Slave phases
+    /*!
+     *  This hook is used for  cSS_CONVENTION_SLAVE phases
+     */
+    virtual void installSlavePhases(Cantera::XML_Node* phaseNode);
+
     virtual void setParametersFromXML(const XML_Node& eosdata);
 
     void setLatticeMoleFractions(int n, std::string x);

Cantera/src/thermo/ThermoFactory.cpp

@@ -561,7 +561,7 @@ namespace Cantera {
       // file.            
       db = get_XML_Node(speciesArray["datasrc"], &phase.root());
       if (db == 0) {
-	throw CanteraError("importPhase",
+	throw CanteraError("importPhase()",
 			   " Can not find XML node for species database: " 
 			   + speciesArray["datasrc"]);
       }
@@ -597,17 +597,29 @@ namespace Cantera {
       
       // install it in the phase object
       th->setSpeciesThermo(spth);
-    } else {
+    } else if (ssConvention == cSS_CONVENTION_SLAVE) {
+      /*
+       * No species thermo manager for this type
+       */
+    } else if (ssConvention == cSS_CONVENTION_VPSS) {
       vp_spth = newVPSSMgr(vpss_ptr, &phase, spDataNodeList);
       vpss_ptr->setVPSSMgr(vp_spth);
       spth = vp_spth->SpeciesThermoMgr();
       th->setSpeciesThermo(spth);
+    } else {
+      throw CanteraError("importPhase()", "unknown convention");
     }
 
 
     int k = 0;
 
     int nsp = spDataNodeList.size();
+    if (ssConvention == cSS_CONVENTION_SLAVE) {
+      if (nsp > 0) {
+	throw CanteraError("importPhase()", "For Slave standard states, number of species must be zero: " 
+			   + int2str(nsp));
+      }
+    }
     for (int i = 0; i < nsp; i++) {
       XML_Node *s = spDataNodeList[i];
       AssertTrace(s != 0);
@@ -619,6 +631,10 @@ namespace Cantera {
       }
     }
 
+    if (ssConvention == cSS_CONVENTION_SLAVE) {
+      th->installSlavePhases(&phase);
+    }
+
     // done adding species. 
     th->freezeSpecies();
 

Cantera/src/thermo/ThermoPhase.cpp

@@ -941,16 +941,20 @@ namespace Cantera {
     }
     xMol_Ref.resize(m_kk, 0.0);
   }
+  //====================================================================================================================
+  void ThermoPhase::installSlavePhases(Cantera::XML_Node* phaseNode) {
 
+  }
+ //====================================================================================================================
   void ThermoPhase::saveSpeciesData(const int k, const XML_Node* const data) {
     if ((int) m_speciesData.size() < (k + 1)) {
       m_speciesData.resize(k+1, 0);
     }
     m_speciesData[k] = new XML_Node(*data);
   }
-
-  //! Return a pointer to the XML tree containing the species
-  /// data for this phase.
+  //====================================================================================================================
+  // Return a pointer to the XML tree containing the species
+  // data for this phase.
   const std::vector<const XML_Node *> & ThermoPhase::speciesData() const { 
     if ((int) m_speciesData.size() != m_kk) {
       throw CanteraError("ThermoPhase::speciesData",

Cantera/src/thermo/ThermoPhase.h

@@ -2016,6 +2016,12 @@ namespace Cantera {
      */
     virtual void initThermo();
     
+    //! Add in species from Slave phases
+    /*!
+     *  This hook is used for  cSS_CONVENTION_SLAVE phases
+     */
+    virtual void installSlavePhases(Cantera::XML_Node* phaseNode);
+
     // The following methods are used by the clib interface
     // library, and should not be used by application programs.