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[Test] Preliminary tests for constructing a phase without an input file

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This commit is contained in:
Ray Speth 2014-09-27 00:09:16 +00:00
parent 79461c34e8
commit 5c26f7b003
1 changed files with 80 additions and 2 deletions
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82
test/thermo/phaseConstructors.cpp
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@ -1,6 +1,9 @@
#include "gtest/gtest.h"
#include "cantera/thermo/FixedChemPotSSTP.h"
#include "cantera/thermo/ThermoFactory.h"
#include "cantera/thermo/SpeciesThermoFactory.h"
#include "cantera/thermo/speciesThermoTypes.h"
#include "cantera/thermo/IdealGasPhase.h"
#include "cantera/base/ctml.h"
#include <fstream>
@ -90,8 +93,83 @@ TEST_F(ChemkinConversionTest, FailedConversion) {
ASSERT_THROW(ctml::ck2cti("h2o2_missingThermo.inp"),
CanteraError);
}
#endif
// 2-region NASA coefficients; Order is significantly different from the
// standard NASA format.
double h2o_coeffs[] = {
1000.0, -3.029372670E+04, -8.490322080E-01, 4.198640560E+00,
-2.036434100E-03, 6.520402110E-06, -5.487970620E-09, 1.771978170E-12,
-3.000429710E+04, 4.966770100E+00, 3.033992490E+00, 2.176918040E-03,
-1.640725180E-07, -9.704198700E-11, 1.682009920E-14};
double h2o_comp[] = {2.0, 1.0, 0.0};
double h2_coeffs[] = {
1000.0, -9.17935173E+02, 6.83010238E-01, 2.34433112E+00,
7.98052075E-03, -1.94781510E-05, 2.01572094E-08, -7.37611761E-12,
-9.50158922E+02, -3.20502331E+00, 3.33727920E+00, -4.94024731E-05,
4.99456778E-07, -1.79566394E-10, 2.00255376E-14};
double h2_comp[] = {2.0, 0.0, 0.0};
double o2_coeffs[] = {
1000.0, -1.063943560E+03, 3.657675730E+00, 3.782456360E+00,
-2.996734160E-03, 9.847302010E-06, -9.681295090E-09, 3.243728370E-12,
-1.088457720E+03, 5.453231290E+00, 3.282537840E+00, 1.483087540E-03,
-7.579666690E-07, 2.094705550E-10, -2.167177940E-14};
double o2_comp[] = {0.0, 2.0, 0.0};
double oh_coeffs[] = {
1000.0, 3.615080560E+03, -1.039254580E-01, 3.992015430E+00,
-2.401317520E-03, 4.617938410E-06, -3.881133330E-09, 1.364114700E-12,
3.858657000E+03, 4.476696100E+00, 3.092887670E+00, 5.484297160E-04,
1.265052280E-07, -8.794615560E-11, 1.174123760E-14};
double oh_comp[] = {1.0, 1.0, 0.0};
// 2-region Shomate coefficients
double co2_coeffs[] = {
1200.0, 24.99735, 55.18696, -33.69137, 7.948387, -0.136638, -403.6075, 228.2431,
58.16639, 2.720074, -0.492289, 0.038844, -6.447293, -425.9186, 263.6125};
double co2_comp[] = {0.0, 2.0, 1.0};
class ConstructFromScratch : public testing::Test
{
public:
ConstructFromScratch() {
p.addElement("H");
p.addElement("O");
p.addElement("C");
}
IdealGasPhase p;
};
TEST_F(ConstructFromScratch, AddElements)
{
ASSERT_EQ(3, p.nElements());
ASSERT_EQ("H", p.elementName(0));
ASSERT_EQ(1, p.elementIndex("O"));
}
TEST_F(ConstructFromScratch, AddSpeciesNasa)
{
p.setSpeciesThermo(newSpeciesThermoMgr(NASA));
SpeciesThermo& sp = p.speciesThermo();
p.addUniqueSpecies("H2O", h2o_comp);
sp.install("H2O", 0, NASA, h2o_coeffs, 200.0, 3500.0, 101325.0);
p.addUniqueSpecies("H2", h2_comp);
sp.install("H2", 1, NASA, h2_coeffs, 200.0, 3500.0, 101325.0);
ASSERT_EQ(2, p.nSpecies());
p.addUniqueSpecies("O2", o2_comp);
sp.install("O2", 2, NASA, o2_coeffs, 200.0, 3500.0, 101325.0);
p.addUniqueSpecies("OH", oh_comp);
sp.install("OH", 3, NASA, oh_coeffs, 200.0, 3500.0, 101325.0);
ASSERT_EQ(4, p.nSpecies());
ASSERT_EQ("H2", p.speciesName(1));
ASSERT_EQ(2, p.nAtoms(2, 1)); // O in O2
ASSERT_EQ(2, p.nAtoms(0, 0)); // H in H2O
}
} // namespace Cantera