From df4b108323df150db168c5cf2f3daa62bfb6f83c Mon Sep 17 00:00:00 2001
From: Harry Moffat <hkmoffa@sandia.gov>
Date: Sat, 23 Aug 2008 00:55:58 +0000
Subject: [PATCH] Added and modified a few files for VPSSMgr changes.

---
 test_problems/Makefile.in                     |  8 +++
 .../VCSnonideal/NaCl_equil/HMW_NaCl.xml       |  2 +-
 .../cathermo/HMW_dupl_test/HMW_dupl_test.cpp  |  1 +
 .../cathermo/HMW_graph_VvT/HMW_graph_VvT.cpp  |  1 +
 .../cathermo/testWaterPDSS/testWaterPDSS.cpp  |  7 +--
 test_problems/silane_equil/IdealGasMix.h      | 52 -------------------
 test_problems/silane_equil/output_blessed.txt |  9 +---
 test_problems/silane_equil/silane_equil.cpp   |  1 +
 8 files changed, 17 insertions(+), 64 deletions(-)
 delete mode 100644 test_problems/silane_equil/IdealGasMix.h

diff --git a/test_problems/Makefile.in b/test_problems/Makefile.in
index d37229c44..f9db52f51 100644
--- a/test_problems/Makefile.in
+++ b/test_problems/Makefile.in
@@ -14,6 +14,8 @@ all:
 	cd cxx_ex;       @MAKE@ all
 	cd surfkin;      @MAKE@ all
 	cd fracCoeff;    @MAKE@ all
+	cd silane_equil; @MAKE@ all
+	cd VPsilane_test; @MAKE@ all
 	cd negATest;     @MAKE@ all
 	cd diamondSurf;  @MAKE@ all
 	cd diamondSurf_dupl;  @MAKE@ all
@@ -50,6 +52,8 @@ test:
 	@ cd cxx_ex;               @MAKE@ -s test
 	@ cd surfkin;              @MAKE@ -s test
 	@ cd fracCoeff;            @MAKE@ -s test
+	@ cd silane_equil;         @MAKE@ -s test
+	@ cd VPsilane_test;        @MAKE@ -s test
 	@ cd negATest;             @MAKE@ -s test
 	@ cd diamondSurf;          @MAKE@ -s test
 	@ cd diamondSurf_dupl;     @MAKE@ -s test
@@ -89,6 +93,8 @@ clean:
 	cd cxx_ex;                $(RM) .depends ; @MAKE@ clean
 	cd surfkin;               $(RM) .depends ; @MAKE@ clean
 	cd fracCoeff;             $(RM) .depends ; @MAKE@ clean
+	cd silane_equil;          $(RM) .depends ; @MAKE@ clean
+	cd VPsilane_test;         $(RM) .depends ; @MAKE@ clean
 	cd negATest;              $(RM) .depends ; @MAKE@ clean
 	cd diamondSurf;           $(RM) .depends ; @MAKE@ clean
 	cd diamondSurf_dupl;      $(RM) .depends ; @MAKE@ clean
@@ -114,6 +120,8 @@ depends:
 	cd cxx_ex;               @MAKE@ depends
 	cd surfkin;              @MAKE@ depends
 	cd fracCoeff;            @MAKE@ depends
+	cd silane_equil;         @MAKE@ depends
+	cd VPsilane_test;        @MAKE@ depends
 	cd negATest;             @MAKE@ depends
 	cd diamondSurf;          @MAKE@ depends
 	cd diamondSurf_dupl;     @MAKE@ depends
diff --git a/test_problems/VCSnonideal/NaCl_equil/HMW_NaCl.xml b/test_problems/VCSnonideal/NaCl_equil/HMW_NaCl.xml
index 26f95dbdc..eb8514cd3 100644
--- a/test_problems/VCSnonideal/NaCl_equil/HMW_NaCl.xml
+++ b/test_problems/VCSnonideal/NaCl_equil/HMW_NaCl.xml
@@ -108,7 +108,7 @@
            </floatArray>
         </NASA>
       </thermo>
-      <standardState model="waterPDSS"> 
+      <standardState model="waterIAPWS"> 
          <!--
               Molar volume in m3 kmol-1. 
               (this is from Pitzer, Peiper, and Busey. However,
diff --git a/test_problems/cathermo/HMW_dupl_test/HMW_dupl_test.cpp b/test_problems/cathermo/HMW_dupl_test/HMW_dupl_test.cpp
index c896552b0..907b73d1d 100644
--- a/test_problems/cathermo/HMW_dupl_test/HMW_dupl_test.cpp
+++ b/test_problems/cathermo/HMW_dupl_test/HMW_dupl_test.cpp
@@ -133,6 +133,7 @@ int main(int argc, char **argv)
     ThermoPhase *hmwtb = (ThermoPhase *)HMW;
     
     ThermoPhase *hmwtbDupl = hmwtb->duplMyselfAsThermoPhase();
+    //ThermoPhase *hmwtbDupl = 0;
     HMWSoln *HMW1 = HMW;
     HMWSoln *HMW2 = dynamic_cast<HMWSoln *>(hmwtbDupl);
 
diff --git a/test_problems/cathermo/HMW_graph_VvT/HMW_graph_VvT.cpp b/test_problems/cathermo/HMW_graph_VvT/HMW_graph_VvT.cpp
index 40f7aea57..f4585a871 100755
--- a/test_problems/cathermo/HMW_graph_VvT/HMW_graph_VvT.cpp
+++ b/test_problems/cathermo/HMW_graph_VvT/HMW_graph_VvT.cpp
@@ -255,6 +255,7 @@ int main(int argc, char **argv)
       /*
        * Calculate the molar volume of solution
        */
+      HMW->calcDensity();
       double dsoln = HMW->density();
       meanMW = HMW->meanMolecularWeight();
       double molarV = meanMW / dsoln; 
diff --git a/test_problems/cathermo/testWaterPDSS/testWaterPDSS.cpp b/test_problems/cathermo/testWaterPDSS/testWaterPDSS.cpp
index 03602f471..e58547ede 100644
--- a/test_problems/cathermo/testWaterPDSS/testWaterPDSS.cpp
+++ b/test_problems/cathermo/testWaterPDSS/testWaterPDSS.cpp
@@ -7,8 +7,9 @@
 #include "global.h"
 #include "xml.h"
 #include "ctml.h"
-#include "WaterPDSS.h"
+#include "PDSS_Water.h"
 #include "ThermoPhase.h"
+#include "VPStandardStateTP.h"
 #include <new>
 using namespace std;
 using namespace Cantera;
@@ -25,8 +26,8 @@ int main () {
 
     double pres;
     try {
-      Cantera::ThermoPhase *nnn = 0;
-      Cantera::WaterPDSS *w = new Cantera::WaterPDSS(nnn, 0);
+      Cantera::VPStandardStateTP *nnn = 0;
+      Cantera::PDSS_Water *w = new Cantera::PDSS_Water(nnn, 0);
 
       /* 
        * Print out the triple point conditions
diff --git a/test_problems/silane_equil/IdealGasMix.h b/test_problems/silane_equil/IdealGasMix.h
deleted file mode 100644
index 98ff16675..000000000
--- a/test_problems/silane_equil/IdealGasMix.h
+++ /dev/null
@@ -1,52 +0,0 @@
-#ifndef CXX_IDEALGASMIX
-#define CXX_IDEALGASMIX
-
-#include <string>
-
-#include "IdealGasPhase.h"
-#include "GasKinetics.h"
-#include "importCTML.h"
-
-namespace Cantera {
-
-    class IdealGasMix : 
-        public IdealGasPhase, public GasKinetics
-    {
-    public:
-
-        IdealGasMix() : m_ok(false), m_r(0) {}
-
-        IdealGasMix(std::string infile, std::string id="") : m_ok(false), m_r(0) {
-            
-        m_r = get_XML_File(infile); 
-        if (id == "-") id = "";
-        m_ok = buildSolutionFromXML(*m_r, id, "phase", this, this);
-        if (!m_ok) throw CanteraError("IdealGasMix",
-            "buildSolutionFromXML returned false");
-        }
-
-
-        IdealGasMix(XML_Node& root, std::string id) : m_ok(false), m_r(0) {
-            m_ok = buildSolutionFromXML(root, id, "phase", this, this);
-        }
-        
-        virtual ~IdealGasMix() {}
-
-        bool operator!() { return !m_ok;}
-        bool ready() const { return m_ok; }
-        friend std::ostream& operator<<(std::ostream& s, IdealGasMix& mix) {
-            std::string r = report(mix, true);
-            s << r;
-            return s;
-        }
-
-    protected:
-        bool m_ok;
-        XML_Node* m_r;
-
-    private:
-    };
-}
-
-
-#endif
diff --git a/test_problems/silane_equil/output_blessed.txt b/test_problems/silane_equil/output_blessed.txt
index 90313a501..affe2a26c 100644
--- a/test_problems/silane_equil/output_blessed.txt
+++ b/test_problems/silane_equil/output_blessed.txt
@@ -1,24 +1,17 @@
 
-**** WARNING ****
-For species SI2H6, discontinuity in h/RT detected at Tmid = 1000
-	Value computed using low-temperature polynomial:  19.8328.
-	Value computed using high-temperature polynomial: 19.9055.
 
 **** WARNING ****
 For species SI2H6, discontinuity in s/R detected at Tmid = 1000
 	Value computed using low-temperature polynomial:  49.5493.
 	Value computed using high-temperature polynomial: 49.7214.
 
-**** WARNING ****
-For species SI3H8, discontinuity in h/RT detected at Tmid = 1000
-	Value computed using low-temperature polynomial:  29.3028.
-	Value computed using high-temperature polynomial: 29.4297.
 
 **** WARNING ****
 For species SI3H8, discontinuity in s/R detected at Tmid = 1000
 	Value computed using low-temperature polynomial:  65.9731.
 	Value computed using high-temperature polynomial: 66.2781.
 
+
 **** WARNING ****
 For species SI2, discontinuity in s/R detected at Tmid = 1000
 	Value computed using low-temperature polynomial:  32.8813.
diff --git a/test_problems/silane_equil/silane_equil.cpp b/test_problems/silane_equil/silane_equil.cpp
index dd1e37ae0..9b5514174 100644
--- a/test_problems/silane_equil/silane_equil.cpp
+++ b/test_problems/silane_equil/silane_equil.cpp
@@ -21,6 +21,7 @@
 
 using namespace std;
 using namespace Cantera;
+using namespace Cantera_CXX;
 
 int main(int argc, char **argv) {
   try {