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Added and modified a few files for VPSSMgr changes.

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This commit is contained in:
Harry Moffat 2008-08-23 00:55:58 +00:00
parent e46b6f2b2d
commit df4b108323
8 changed files with 17 additions and 64 deletions
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8
test_problems/Makefile.in
View file

@ -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

2
test_problems/VCSnonideal/NaCl_equil/HMW_NaCl.xml
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@ -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,

1
test_problems/cathermo/HMW_dupl_test/HMW_dupl_test.cpp
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@ -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);

1
test_problems/cathermo/HMW_graph_VvT/HMW_graph_VvT.cpp
View file

@ -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;

7
test_problems/cathermo/testWaterPDSS/testWaterPDSS.cpp
View file

@ -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

52
test_problems/silane_equil/IdealGasMix.h
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@ -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

9
test_problems/silane_equil/output_blessed.txt
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@ -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.

1
test_problems/silane_equil/silane_equil.cpp
View file

@ -21,6 +21,7 @@
using namespace std;
using namespace Cantera;
using namespace Cantera_CXX;
int main(int argc, char **argv) {
try {